diff --git a/.requirements/extras.in b/.requirements/extras.in index b3c513287..cb7e7178e 100644 --- a/.requirements/extras.in +++ b/.requirements/extras.in @@ -1,6 +1,7 @@ biovec propy3 pyaaisc +prody mpl_chord_diagram==0.3.2 rdkit selfies diff --git a/Components-smiles-stereo-oe.smi b/Components-smiles-stereo-oe.smi new file mode 100644 index 000000000..bfe01079b --- /dev/null +++ b/Components-smiles-stereo-oe.smi @@ -0,0 +1,37103 @@ +COC(=O)O 000 methyl hydrogen carbonate +COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F 001 1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO 002 n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C 003 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc(cc1)[C@@H](C(=O)O)N 004 (2s)-amino(phenyl)ethanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N 005 (2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 006 (4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)C2(CCCC2)CN 007 1-methylamine-1-benzyl-cyclopentane +c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N 008 (s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O 009 (4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide +c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl 00A 5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine +CC1([C@H](NCS1)C(=O)O)C 00B (4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C([C@H](C(=O)O)N)S(=O)(=O)O 00C 3-sulfo-d-alanine +C[C@H](C(C)(C)C)N 00D (2r)-3,3-dimethylbutan-2-amine +C1COCCN1CC(=O)O 00E morpholin-4-ylacetic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O 00F (2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3 00G 5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole +c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O 00H 3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid +[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N 00I n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine +Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC 00J n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N 00K (1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N 00L (1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N 00M (2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N 00N (1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N 00O beta-phenyl-d-phenylalanine +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N 00P (5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N 00Q d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N 00R (5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(/c1ccc(cc1)CN)\N 00S 4-(aminomethyl)benzenecarboximidamide +c1cc(c(cc1Cl)CN)CN 00T (4-chlorobenzene-1,2-diyl)dimethanamine +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N 00U (1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid +C(CCN)C[C@@H]([C@@H](C(=O)O)O)N 00V (2s,3s)-3,7-diamino-2-hydroxyheptanoic acid +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N 00W 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid +c1ccc2c(c1)C[C@H]([C@H]2N)O 00X (1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol +c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O 00Y 1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine +c1ccc(cc1)CO 010 phenylmethanol +C(CCCN)CCC(=O)O 011 7-aminoheptanoic acid +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O 012 (4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide +c1c(scn1)COC(=O)O 013 1,3-thiazol-5-ylmethyl hydrogen carbonate +c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O 014 1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N 015 (2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 016 (4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N 017 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2 018 2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline +CC(C)c1nc(cs1)CN(C)C(=O)O 019 methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O 01A 4-chlorophenacyl-coenzyme a +c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N 01B (2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N 01C (4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C 01E (2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide +CCOC(=O)O 01F ethyl hydrogen carbonate +C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N 01G 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) +C(CCNN)CN 01H 4-hydrazinylbutan-1-amine +c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O 01I naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O 01J n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine +CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N 01K [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate +B([C@H](CCCOC)N)(O)O 01L [(1r)-1-amino-4-methoxybutyl]boronic acid +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O 01M (3s)-1-carbamimidoylpiperidine-3-carboxylic acid +C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O 01N n-(carboxymethyl)-3-cyclohexyl-d-alanine +[H]/N=C(\c1cc(cn1C)CN)/N 01O 4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4 01P n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine +[H]/N=C(\c1ccc(n1C)CN)/N 01Q 5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +c1cnccc1NCCN 01R n-(pyridin-4-yl)ethane-1,2-diamine + 01S n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide +CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid +c1cc2c(cc1N)sc(n2)N 01U 1,3-benzothiazole-2,6-diamine +c1cc(c(cc1Cl)CN)Cl 01V 1-(2,5-dichlorophenyl)methanamine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+] 01W (2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate +c1cc(c(cc1Cl)CN)OCC(=O)O 01X [2-(aminomethyl)-4-chlorophenoxy]acetic acid +C1CCC(C1)OCC(=O)O 01Y (cyclopentyloxy)acetic acid +C1CCC(CC1)OCC(=O)O 01Z (cyclohexyloxy)acetic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F 020 n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline +C1CCC(C1)NCC(=O)O 021 n-cyclopentylglycine +Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N 022 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid +C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O 023 n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide +c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 024 4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid +c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F 025 3-(trifluoromethyl)benzenesulfonic acid +C1CN(CCN1)CCCN 026 3-(piperazin-1-yl)propan-1-amine +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C 027 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one +CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 028 (1-hydroxyheptane-1,1-diyl)bis(phosphonic acid) +[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O 029 cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid +C1CN[C@@H]1C(=O)O 02A (2s)-azetidine-2-carboxylic acid +Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC 02B 4-methoxy-2,3,6-trimethylbenzenesulfonic acid +[H]/N=C(/c1csc(n1)CN)\N 02C 2-(aminomethyl)-1,3-thiazole-4-carboximidamide +[H]/N=C(/c1ccc(s1)CN)\N 02D 5-(aminomethyl)thiophene-2-carboximidamide +CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2 02E (e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine +COCCC[C@@H](N)P(=O)(O)O 02F [(1s)-1-amino-4-methoxybutyl]phosphonic acid +C(CS)/C=C/[C@H](CC(=O)O)O 02G (3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N 02H (2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol +c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N 02I (6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +Cc1cc(no1)C(=O)O 02J 5-methyl-1,2-oxazole-3-carboxylic acid +C1CCC(CC1)(C(=O)O)N 02K 1-aminocyclohexanecarboxylic acid +CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N 02L n-(2,2-dimethylpropyl)-l-asparagine +Cc1ccc(cc1)CN 02N 1-(4-methylphenyl)methanamine +CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N 02O 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine +C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 02P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide +Cc1ccccc1CCC(=O)O 02Q 3-(2-methylphenyl)propanoic acid +c1ccc(c(c1)CN)Cl 02R 1-(2-chlorophenyl)methanamine +c1ccc(cc1)COc2ccc(cc2)C(=O)O 02S 4-(benzyloxy)benzoic acid +Cc1ccsc1CN 02T 1-(3-methylthiophen-2-yl)methanamine +CCC(C)CCCC=CCCCCCCCC(=O)O 02U 14-methylhexadec-9-enoic acid +CN[C@@H](c1ccc(c(c1)O)O)C(=O)O 02V (2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid +Cc1nc2ccccc2n1CCN 02W 2-(2-methyl-1h-benzimidazol-1-yl)ethanamine +CC(C)[C@H](CC(=O)O)C(=O)O 02X (2s)-2-(propan-2-yl)butanedioic acid +C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N 02Y 6-diazonio-5-oxo-l-norleucine +c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N 02Z 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide +C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O 030 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O 031 (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F 032 n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3 033 n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O 034 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 035 (2s)-2,7-bis(phosphonooxy)heptanoic acid +C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 036 (2r)-2,7-bis(phosphonooxy)heptanoic acid +C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O 037 (1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid +CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N 038 3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid +COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4 039 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one +CCCC(C(=O)C(=O)NC1CC1)N 03A (3s)-3-amino-n-cyclopropyl-2-oxohexanamide +Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O 03B 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid +Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N 03C [5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O 03D (2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide +C1CCCC(CC1)(C(=O)O)N 03E 1-aminocycloheptanecarboxylic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 03F (9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C 03G n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +CC(C)C[C@@H](C(=O)O)Cl 03H (2s)-2-chloro-4-methylpentanoic acid +C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C 03I (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O 03J 3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid +c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3 03K n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide +c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O 03L 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid +Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl 03M (5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione +[H]/N=C(\N)/N1CCC(CC1)CN 03N 4-(aminomethyl)piperidine-1-carboximidamide +CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O 03O 4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O 03P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide +c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F 03Q 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N 03R 2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid +CS(=O)(=O)O 03S methanesulfonic acid +c1ccc2c(c1)cc(s2)S(=O)(=O)N 03T 1-benzothiophene-2-sulfonamide +CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O 03U methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate +c1ccc2cc(ccc2c1)O 03V naphthalen-2-ol +C([C@H](C(O)O)O)O 03W (2r)-propane-1,1,2,3-tetrol +CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC 03X n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C[C@](CS)(C(=O)O)N 03Y 2-methyl-l-cysteine +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 03Z 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +Cc1ccccc1C(=O)CC(=O)C(=O)O 040 4-(2-methylphenyl)-2,4-dioxobutanoic acid +C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O 041 2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 042 n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine +c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O 043 4-(3-bromophenyl)-2,4-dioxobutanoic acid +CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 044 n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O 045 beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 046 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide +Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4 047 1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O 048 n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide +CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O 049 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol +c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4 04A n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O 04B 2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O 04C 1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol +C[C@H](CO)[C@H]([C@H](CC(C)C)N)O 04D (2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol +C(C(=O)O)I 04E iodoacetic acid +C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N 04F (1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2 04G 7-hydroxy-3h-phenoxazin-3-one +[H]/N=C(\N)/N1CCC[C@H](C1)CN 04H (3s)-3-(aminomethyl)piperidine-1-carboximidamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N 04J aminopterin +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C 04K 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5 04L 2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide +CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3 04M 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04N 2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04O 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose +[H]/N=C(\N)/N1CCC[C@H](C1)CO 04P (3r)-3-(hydroxymethyl)piperidine-1-carboximidamide +c1ccc(cc1)CNCC(=O)O 04Q n-benzylglycine +C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1 04R [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid +C1CNC[C@@H]1N 04S (3r)-pyrrolidin-3-amine +CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C 04T n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide +C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N 04U azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium +[H]/N=C(/[C@@H]1CCCN1)\O 04V (2s)-pyrrolidine-2-carboximidic acid +CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-] 04W 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid +C1COCCN1CC2=CC[C@H](NC2)C(=O)O 04X (2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid +c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4 04Y n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 04Z 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O 051 (1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid +Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6 052 n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 053 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O 054 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl 055 (2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid +c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl 056 3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid +CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3 057 n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl 058 1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 059 (2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2 05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3 05C 7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C 05D n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3 05F 4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3 05I 4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O 05J 1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 05L heptyl 1-seleno-beta-d-glucopyranoside +CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4 05M 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione +C[C@H]1[C@H](CN[C@@H]1C(=O)O)O 05N (3r,4r)-4-hydroxy-3-methyl-l-proline +c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F 05O (2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal +c1cc(c(cc1CC(=O)O)Cl)Cl 05R 2-(3,4-dichlorophenyl)ethanoic acid +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N 05S (6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +[H]/N=C(\N)/NC1CCC(CC1)CN 05T 1-[4-(aminomethyl)cyclohexyl]guanidine +CC(C)C[C@@H]([C@H](C(C)C)O)N 05U (3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol +C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O 05W (2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol +CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F 05X 2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide +CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3 05Y ~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide +CSC[C@H](C(=O)O)N 060 s-methyl-d-cysteine +CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O 061 2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one +c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-] 062 3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide +C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5 063 4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 064 3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 065 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate +Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C 066 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide +c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 067 p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 068 (3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid +c1cc(cc(c1)O)C(=O)NO 069 n,3-dihydroxybenzamide +C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 06A 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +COc1ccc(c(c1C(=O)O)OC)Br 06B 3-bromo-2,6-dimethoxybenzoic acid +CI 06C iodomethane +CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC 06D 1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one +c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br 06E 6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O 06F 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N 06H (6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O 06I 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N 06J (3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide +CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C 06M 6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +CCCNc1nn2c(cnc2s1)c3ccc(cc3)O 06N 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol +C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 06P d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F 06R 2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N 06S o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N 06T (5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3 06U 6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3 06V 6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3 06W 6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN 06X amlodipine +c1ccc(cc1)OCC(=O)O 06Y 2-phenoxyethanoic acid +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N 06Z {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone +c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O 070 (1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol +Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C 071 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O 072 (+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine +COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 073 (4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid +CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O 074 [propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C 075 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4 076 (s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 077 (3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid +c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N 078 (2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3 079 (s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O 07B dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate +CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] 07C 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C 07D trans-geranyl bacteriochlorophyll a +C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O 07E (3s)-3-hydroxybutyl beta-d-xylopyranoside +CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4 07F 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one +CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O 07G 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium +c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5 07H [4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C 07I spliceostatin e (form i) +CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl 07J 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea +Cc1cccc2c1nccc2N 07K 8-methylquinolin-4-amine +c1cc2c(cc1O)OC(=O)C=C2 07L 7-hydroxy-2h-chromen-2-one +c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3 07M 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl 07N 2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid +C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N 07O s-[(2s)-2-phenylpropanoyl]-l-cysteine +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O 07P n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide +C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3 07Q 1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3 07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5 07S 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone +Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C 07T 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N 07U 2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine +CC1=CC[C@H](CC1=O)C(=C)C 07V (5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O 07Y (2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N 07Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid +C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC 082 (5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione +Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C 083 4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide +C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F 084 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine +c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5 085 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide +Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl 087 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O 088 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C 08A (3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br 08B 4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 08C 2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one +Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N 08D sulfamethoxazole +c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 08E 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O 08F 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO 08G 1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea +Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl 08H 8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine +CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C 08I trans-geranyl bacteriopheophytin a +Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl 08J 8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine +Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl 08K 8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4 08L (2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid +c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N 08M n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine +C([C@H](C(=O)O)NC(=O)C(=O)O)S 08P n-(carboxycarbonyl)-d-cysteine +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O 08Q 5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC 08R 6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl 08S 3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide +[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F 08T [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium +C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O 08U 2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C 08W n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide +c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4 08X (2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide +CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O 08Y bromoergocryptine +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N 08Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide +COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4 090 n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide +c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2 091 (3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one +COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O 092 methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl 093 n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide +c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl 094 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2 095 tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O 096 (2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C 097 (2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O 098 (3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O 099 (2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O 09A benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2 09B 4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br 09C (3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2 09D (4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2 09E (4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2 09F 1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2 09G 3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5 09H 2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N 09I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide +CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5 09J 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide +c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F 09K n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F 09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O 09M (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O 09N (11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +c1cc(cnc1)N2CCCNCC2 09O 1-(pyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1)N2CCCNCC2 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane +c1ccc(cc1)c2cc(cnc2)N3CCCNCC3 09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane +c1cc(ncc1N2CCCNCC2)Br 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1Br)N2CCCNCC2 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane +Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl 09T 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole +COCC1CC1 09U (methoxymethyl)cyclopropane +C1CC1CO 09V cyclopropylmethanol +C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O 09X 2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N 09Z [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N 0A l-adenosine-5'-monophosphate +C[C@](CC(=O)O)(C(=O)O)N 0A0 2-methyl-l-aspartic acid +COc1ccc(cc1)C[C@@H](C(=O)O)N 0A1 o-methyl-l-tyrosine +[B-]([C@H](CCCCN)N)(O)(OCC)OCC 0A2 [(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O 0A3 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 0A4 (2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C(CC(=O)O)CBr 0A5 4-bromobutanoic acid +CCOC(=O)[C@@H](CC(=O)O)O 0A6 (3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid +c1ccc(c(c1)CC(=O)O)C(=O)O 0A7 2-(carboxymethyl)benzoic acid +C(CCl)NC(=O)SC[C@@H](C(=O)O)N 0A8 s-[(2-chloroethyl)carbamoyl]-l-cysteine +COC(=O)[C@H](Cc1ccccc1)N 0A9 methyl l-phenylalaninate +CC(C)[C@@H](C(=O)OC)N 0AA methyl l-valinate +C[C@H]1C=COC(=O)[C@H]1N 0AB (3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N 0AC (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 0AD 2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O 0AE (3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol +c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N 0AF 7-hydroxy-l-tryptophan +CCOC(=O)N[C@@H](CC(C)C)C(=O)O 0AG n-(ethoxycarbonyl)-l-leucine +C([C@@H](C(=O)O)N)OC(=O)CBr 0AH o-(bromoacetyl)-l-serine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O 0AI methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid +CCS[C@H](C)SC 0AJ (1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane +C(CCl)OC(=O)C[C@@H](C(=O)O)N 0AK (2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O 0AL 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0AM 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)cccc2C[C@@H](C=O)N 0AO (2s)-2-amino-3-naphthalen-1-ylpropanal +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O 0AP 2'-deoxycytidine 3',5'-bis(dihydrogen phosphate) +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C 0AR n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 0AS asiatic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 0AT 2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I 0AU 5-iodouridine 5'-(dihydrogen phosphate) +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 0AV 2'-o-methyladenosine 5'-(dihydrogen phosphate) +B([C@H](CCCCN)N)(OCC)OCC 0AY diethyl [(1r)-1,5-diaminopentyl]boronate +C1[C@H](CN[C@H]1C(=O)O)O 0AZ (4r)-4-hydroxy-d-proline +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC 0B1 2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N 0B2 (2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2 0B3 (6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one +C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3 0B4 (6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one +C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF 0B5 ~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 0B6 ~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O 0BA 2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O 0BB 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C 0BC ~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide +CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O 0BD 3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside +[Be+2] 0BE beryllium +c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O 0BH n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O 0BI (4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC 0BJ methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate +C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C 0BK n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C 0BM n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N 0BN 4-carbamimidoyl-l-phenylalanine +c1ccnc(c1)c2ccccn2 0BP 2,2'-bipyridine +c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3 0BQ 5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O 0BR (4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O 0BT 1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 0BU 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid +c1ccc2c(c1)cc(c3c2cccc3)CC=O 0BV phenanthren-9-ylacetaldehyde +CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC 0BW methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate +c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0BX 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0C l-cytidine-5'-monophosphate +c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O 0C0 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid +CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O 0C1 6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O 0C2 (3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C3 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl 0C7 n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F 0C8 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C9 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid +[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N 0CA 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid +[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O 0CB {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid +C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C 0CC andiconin d +CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7 0CE 2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one +C#CCOP(=O)(O)OP(=O)(O)O 0CG prop-2-yn-1-yl trihydrogen diphosphate +C(CCOP(=O)(O)OP(=O)(O)O)CO 0CH 4-hydroxybutyl trihydrogen diphosphate +CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4 0CI 5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC(=O)CCCOP(=O)(O)OP(=O)(O)O 0CJ 4-oxopentyl trihydrogen diphosphate +c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F 0CK 4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C(CCl)CCl 0CL 1,3-dichloropropane +CC#CCOP(=O)(O)OP(=O)(O)O 0CM but-2-yn-1-yl trihydrogen diphosphate +C=C=CCOP(=O)(O)OP(=O)(O)O 0CN buta-2,3-dien-1-yl trihydrogen diphosphate +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C 0CO (1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4 0CP 5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 0CR momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a +C([C@@H](C(=O)O)N)[S@@](=O)OO 0CS 3-[(s)-hydroperoxysulfinyl]-l-alanine +c1ccc2c(c1)[nH]nn2 0CT 1h-benzotriazole +c1c(cc(c2c1nn[nH]2)Cl)Cl 0CU 5,7-dichloro-1h-benzotriazole +Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC 0CV 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline +CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O 0CX (2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione +c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O 0D1 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol +c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4 0D2 (4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone + 0D3 n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3 0D6 n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide +C(CN)CO 0D8 3-aminopropan-1-ol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N 0DA 2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate + 0DB n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O 0DC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CN1c2cc(cnc2NC1=O)c3ccccc3 0DF 1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 0DG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N 0DI (2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one +CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N 0DJ 3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O 0DN 5'-deoxy-5'-fluorothymidine +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C 0DO (2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide +c1ccc(cc1)c2c(snn2)N 0DQ 4-phenyl-1,2,3-thiadiazol-5-amine +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N 0DS n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O 0DT 2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate +CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F 0DU n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO 0DV (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8 0DX 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone + 0DY n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide +CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2 0E0 (3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1 0E1 (7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile +CC[C@](C)([C@@H](C(=O)O)N)O 0E5 (2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid +c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2 0E6 amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium +[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC 0E7 methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0E8 di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate + 0E9 benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate +CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O 0EA (betar)-beta,3-dihydroxy-n-methyl-l-tyrosine +COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 0EC 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine + 0ED n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C 0EF n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide + 0EG n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide +CCCCCCC[C@](C)(C(=O)O)N 0EH (2r)-2-amino-2-methylnonanoic acid +Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C 0EI 4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide +C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 0EJ (2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid + 0EK 6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine + 0EL 6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine + 0EM n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3 0EN n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0EO (2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid +Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O 0ER methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate +CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 0ET [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate +CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C 0EU 1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0EV 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C 0EW n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide +c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N 0EX 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O 0EY 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 0EZ tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate +CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4 0F0 3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc2c(cc1Cl)sc(c2Cl)C(=O)O 0F1 3,6-dichloro-1-benzothiophene-2-carboxylic acid +CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O 0F2 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol +c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N 0F3 4-(sulfamoylamino)benzenesulfonamide +c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F 0F4 1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4 0F5 (5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione + 0F7 n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +c1cc(c(cc1Cl)c2cc[nH]n2)O 0F9 4-chloro-2-(1h-pyrazol-3-yl)phenol +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O 0FA n~2~-phosphono-l-leucinamide +CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N 0FG d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide +c1ccc(cc1)NC=S 0FI n-phenylthioformamide +c1cc2ccc(nc2c(c1)O)C(=O)N 0FK 8-hydroxyquinoline-2-carboxamide +C([C@@H](C(=O)O)NC=O)N 0FL 3-amino-n-formyl-l-alanine +c1ccc2c(c1)C(=O)C(C2=O)C#N 0FN 1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile +c1cc2c(cc1Br)C(=CC(=O)O2)O 0FO 6-bromo-4-hydroxy-2h-chromen-2-one +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O 0FP n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O 0FQ phenacyl coenzyme a +c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3 0FR furan-2-yl(1h-indol-3-yl)methanone +c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2 0FS (5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione +CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O 0FT 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +c1(c(nc(nc1O)N)N)N 0FU 2,5,6-triaminopyrimidin-4-ol +CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C 0FV (2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O 0FW 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N 0FX dtdp-4-amino-4,6-dideoxyglucose +Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F 0FY 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium +COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N 0FZ 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 0G l-guanosine-5'-monophosphate +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F 0G0 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O 0G1 3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O 0G2 3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F 0G3 n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F 0G4 [[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N 0G5 n~5~-(3-iodobenzoyl)-l-ornithine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0G6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N 0G7 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 0G8 [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O 0GA 3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid +Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F 0GD 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine +[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 0GE n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide +Cc1cc(ccc1Br)C(=O)O 0GF 4-bromo-3-methylbenzoic acid +COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N 0GG 3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C 0GH n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N 0GJ l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide +CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O 0GM n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide +CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0GO (2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide +CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O 0GQ 4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3 0GR n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan +CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F 0GS (3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F 0GT (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F 0GU (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C 0GV (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one +CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3 0GW 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br 0GX {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone +C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O 0GY (1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid +C1=C(C=C(OC1=O)C(=O)O)C(=O)O 0GZ 2-oxo-2h-pyran-4,6-dicarboxylic acid +CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O 0H0 carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O 0H2 [1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC 0H3 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one +Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F 0H4 (2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide +Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC 0H5 6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine +c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F 0H6 6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid +c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl 0H7 (3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O 0H8 n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide +COc1ccc(cc1)CNCCS(=O)(=O)O 0H9 2-[(4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3 0HD 1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br 0HG n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine +CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0HH l-gamma-glutamyl-s-nonyl-l-cysteinylglycine +CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 0HJ 6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C 0HK (1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane +[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N 0HL 4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide +c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O 0HM 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium +c1cc2c(cc1C(=O)O)OCO2 0HN 1,3-benzodioxole-5-carboxylic acid +c1cc2c(cc1C(=O)O)nsn2 0HO 2,1,3-benzothiadiazole-5-carboxylic acid +C=[N+]=[N-] 0HQ diazomethane +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O 0HT methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate +c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O 0HV 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC 0HW n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C 0HX pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0HY methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate + 0HZ amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium +C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C 0I3 andilesin c +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2 0I5 n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F 0IM 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cc2ccc(c(c2nc1)O)Cc3cccnc3 0IN 7-(pyridin-3-ylmethyl)quinolin-8-ol +C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C 0IP terretonin c +c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O 0IT amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium + 0IU (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0IV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4 0IW nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O 0IZ 3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C 0J0 (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane +CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC 0J1 (2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate +C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0J2 (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2 0J3 3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine +C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J4 (2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J5 (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid +c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4 0J6 n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide +c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4 0J7 3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5 0J8 n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N 0J9 1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6 0JA 2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4 0JB n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide +C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3 0JC di-mu-iodobis(ethylenediamine)diplatinum(ii) +c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD (2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F 0JE 3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea +Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC 0JF (3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC 0JG methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C 0JH tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate +Cc1c(nnn1c2ccccc2)C(=O)O 0JI 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid +Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC 0JJ 7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine +c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O 0JK 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O 0JL 3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C 0JM (2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid +CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N 0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O 0JO 2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid +COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 0JP 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline +Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC 0JQ 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O 0JR (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide +CC(C)[C@@H](CCC(=O)O)N 0JT (4r)-4-amino-5-methylhexanoic acid +[H]/N=C\[C@H](CCC(=O)N)N 0JU (4s,5z)-4-amino-5-iminopentanamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC 0JV methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate +c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O 0JW (2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile +C(COP(=O)(O)OP(=O)(O)O)/C=C/O 0JX (3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate +CC(C)(C)C[C@@H](C(=O)O)N 0JY 4-methyl-l-leucine +CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 0JZ (4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N 0K0 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide +Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N 0K1 3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide +C(CC=O)COP(=O)(O)OP(=O)(O)O 0K2 4-oxobutyl trihydrogen diphosphate +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C 0K3 (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O 0K5 (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N 0K6 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +Cc1ccc(cc1)c2nc(cs2)C(=O)O 0K7 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12 0K8 ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione +C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0K9 (2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45 0KA silver/iron/sulfur cluster +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O 0KB [2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O 0KC {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4 0KD n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O 0KE (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5 0KF n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide +c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O 0KG {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O 0KH (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4 0KJ [(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3 0KK (2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0KL 5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate) +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC 0KM (2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one +C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0KN (2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide +Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C 0KO 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4 0KP (2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4 0KQ (2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4 0KR (2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one +CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2 0KS n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide +CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3 0KT n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO 0KU n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0KV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO 0KW n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 0KX 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine +CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S 0KY 3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O 0KZ [(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O 0L0 (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C(CCC(=O)O)CC(=O)O 0L1 hexanedioic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO 0L3 7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN 0L4 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L5 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L6 5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN 0L7 2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O 0L8 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC 0L9 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid +C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O 0LA (2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F 0LB (1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide +c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N 0LC (1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O 0LD (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O 0LF (4r)-4-(4-phenylbutoxy)-l-proline +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O 0LG n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)ccn2CCN 0LH 2-(1h-indol-1-yl)ethanamine +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide +[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LJ n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LK n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N 0LL n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C 0LM n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide +CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C 0LN 13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide +c1ccc(cc1)c2cc(cnc2)C(=O)O 0LO 5-phenylpyridine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O 0LP 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid +c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6 0LQ (4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3 0LR (3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine +c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl 0LS n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline +CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 0LT n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O 0LU (2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CC1(Cc2cccc(c2O1)CO)C 0LV (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol +c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O 0LW (2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F 0LX (2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C 0LY n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LZ n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide +CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C 0M1 n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide +C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O 0M2 (2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4 0M3 (3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl 0M4 n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide +c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl 0M5 n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide +CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1 0M6 n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide +CCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M7 [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M8 [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCNCC(P(=O)(O)O)P(=O)(O)O 0M9 [2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C 0MA maslinic acid +c1ccc(cc1)c2nc(sn2)N3CCCNCC3 0MB 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MC {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MD {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4 0ME (3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5 0MF n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide +C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N 0MG amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5 0MH n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O 0MI 1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5 0MJ (3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 0MK beta-l-ribopyranose +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N 0ML (2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide +Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] 0MM [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone +COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3 0MN n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide +CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2 0MO (4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one +CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O 0MP n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide +C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O 0MQ [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5 0MR n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide +Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br 0MS [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone +c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O 0MT 4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid +CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N 0MU (2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3 0MV (3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +CCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0MW [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5 0MX n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N 0MY n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide +c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O 0MZ 2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC 0N0 (3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0N1 (4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O 0N2 (2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O 0N3 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O 0N4 [({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 0N5 n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4 0N6 (r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 2-hydroxyisoquinoline-1,3(2h,4h)-dione +c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O 0N8 (2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O 0N9 5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O 0NA [({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O 0NB [({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +C[C@@H](C(=O)NC)N 0NC n-methyl-l-alaninamide +B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O 0ND [({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O 0NE [({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid +CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N 0NF (2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide +B(CNS(=O)(=O)CCl)(O)O 0NG ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid +CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3 0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C 0NI aurachin d +COc1ccc2c(c1)sc(n2)c3ccccc3F 0NJ 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole +CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC 0NK 6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine +CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3 0NL tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate +C(#N)O 0NM cyanic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4 0NN 1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F 0NP 2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine +CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C 0NQ n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide +COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N 0NR methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate +CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC 0NS 2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide +CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NT [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone +c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N 0NU 3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile +c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NV 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N 0NW 3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide +c1ccc(cc1)c2cc(no2)CO 0NX (5-phenyl-1,2-oxazol-3-yl)methanol +Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC 0NY 7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine +C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 0NZ 2-deoxy-6-o-phosphono-beta-d-glucopyranose +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N 0O1 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N 0O2 guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) +C=C(CCOP(=O)(O)OP(=O)(O)O)CO 0O3 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate +c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4 0O4 4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4 0O5 4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC 0O6 (3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide] +CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C 0O7 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide +CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C 0O8 (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate +CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC 0O9 (2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate +CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC 0OA (1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate +c1ccc2c(c1)cc(s2)CCC(=O)O 0OB 3-(1-benzothiophen-2-yl)propanoic acid +CN(C)S(=O)(=O)c1ccsc1 0OC n,n-dimethylthiophene-3-sulfonamide +CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C 0OD trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) +c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O 0OE 4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid +CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F 0OF (3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C 0OG 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 0OH north-methanocarba-2'-deoxyadenosine triphosphate +CNC(=O)Nc1ccccc1F 0OI n-(2-fluorophenyl)-n'-methylurea +c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N 0OJ south-methanocarba-2'-deoxyadenosine triphosphate +c1ccc(cc1)N2C=Nc3ccccc3C2=O 0OK 3-phenylquinazolin-4(3h)-one +c1ccc(cc1)C(=O)N2CCCCC2 0OL phenyl(piperidin-1-yl)methanone +c1ccc(cc1)COC(=O)c2cccnc2 0OM benzyl pyridine-3-carboxylate +c1ccc(cc1)NC(=O)c2cccnc2 0ON n-phenylpyridine-3-carboxamide +c1ccc(cc1)Oc2cccc(c2)CO 0OO (3-phenoxyphenyl)methanol +c1ccc(cc1)COc2cccc(c2)CO 0OP [3-(benzyloxy)phenyl]methanol +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F 0OQ (1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O 0OR n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide +COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl 0OS {3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0OT 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl 0OU 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one +C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N 0OV [4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile +C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N 0OW 4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide +c1c(c(nc(n1)OC2CCCC2)N)C(=O)N 0OX 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide +c1cc(ccc1C(=O)N2CCOCC2)O 0OY (4-hydroxyphenyl)(morpholin-4-yl)methanone +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] 0P0 n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine +C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 0P1 n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide +B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O 0P2 n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl 0P4 n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine +COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4 0P5 4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one +c1cc2ccc(nc2c(c1)O)N 0P6 2-aminoquinolin-8-ol +COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0P8 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +C1CCC(C1)CC(=O)O 0PA cyclopentylacetic acid +C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 0PC nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide +CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C 0PF 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide + 0PI n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine + 0PJ n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine + 0PK n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl 0PL (3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4 0PO n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide +CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C 0PP (2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide +c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O 0PQ n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O 0PR n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C 0PX n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide +c1ccncc1 0PY pyridine +CCCC[C@@H]1CO1 0PZ (2r)-2-butyloxirane +Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O 0Q1 (1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol +Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3 0Q2 (1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol +CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N 0Q4 n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide +CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C 0Q5 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide +c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N 0Q6 4-[(3-bromophenyl)methoxy]benzamide +CN(CCCC(=O)c1cccnc1)N=O 0QA 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one + 0QB (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +CCl 0QE chloromethane +CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3 0QF n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide + 0QG 3-methyl-l-valyl-l-prolyl-l-isoleucine + 0QH (1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium +CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O 0QI o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 0QJ 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 0QK 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C(CSSC[C@@H](C(=O)O)N)N 0QL 3-[(2-aminoethyl)disulfanyl]-l-alanine + 0QN n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F 0QQ n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide +c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N 0QR n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide +CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O 0QS n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O 0QV (4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione +c1ccc(c(c1)C(=S)N2CCCC2)O 0QW (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3 0QX 2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5 0QY n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide +C([C@H](C(=O)O)O)N 0QZ d-isoserine +c1ccc(c(c1)C#N)O 0R0 2-hydroxybenzonitrile +c1ccc2c(c1)cno2 0R1 1,2-benzisoxazole +CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R2 [(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid +CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R3 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F 0R4 n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide +C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R5 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R6 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 0R7 [[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O 0R8 [(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F 0R9 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid +c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O 0RA 3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid +c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N 0RB 2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O 0RC 5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O 0RD 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CCCC[C@@H](CO)O 0RE (2s)-hexane-1,2-diol +C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O 0RF (2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one +c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN 0RI orladeyo +C([C@@H](C(=O)O)N)NC=O 0RJ 3-(formylamino)-l-alanine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O 0RK 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 0RM (2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C 0RN sulbactam +CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C 0RO 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine +CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC 0RP ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate +CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0RQ [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate +c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl 0RR 3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid +CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6 0RS {5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C 0RT 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc2c1NC(=NC2=O)CSc3ncccn3 0RU 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one +CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 0RV (2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid +Cc1c2ccccc2n[nH]1 0RW 3-methyl-2h-indazole +c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4 0RX 2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide +c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N 0RY (2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N 0RZ (2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N 0S0 4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C 0S1 n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C 0S2 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C 0S3 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0S4 n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O 0S5 n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C 0S6 methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate +Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br 0S7 5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br 0S8 5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br 0S9 5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine +CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 0SA undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F 0SB n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O 0SC 2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O 0SD 2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O 0SE 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O 0SF (2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O 0SG n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 0SH n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide +c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O 0SI 8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl 0SJ (1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F 0SK 8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one +c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O 0SL (3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O 0SM trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 0SN {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C 0SO tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0SP 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N 0SQ 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3 0SR 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C 0SS n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3 0ST 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO 0SU 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO 0SV 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea +c1ccc(cc1)CCNc2c3ccccc3ncn2 0SW n-(2-phenylethyl)quinazolin-4-amine +c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4 0SX 8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one +c1cnccc1c2cc3c([nH]2)CCNC3=O 0SY 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O 0SZ 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid +CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 0T0 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide +CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0T1 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate +CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 0T2 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide +c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3 0T3 4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F 0T4 3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F 0T5 3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC 0T6 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine +CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C 0T7 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline +c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 0T8 4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide +CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 0T9 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4 0TA 2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4 0TB 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +CS[C@@H]([C@@H](C(=O)O)N)C(=O)O 0TD (3s)-3-(methylsulfanyl)-l-aspartic acid +CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4 0TE chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper +C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N 0TF n~6~-d-ornithyl-l-lysine +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O 0TH n-(propylsulfonyl)-d-threonine +c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI (3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br 0TJ n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide +C(C[C@H](C(=O)OP(=O)(O)O)N)CN 0TK (2r)-2,5-diaminopentanoyl dihydrogen phosphate +CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC 0TM 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 0TN delta-ru(phen)2(dppz) complex +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl 0TO n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine +CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N 0TP 4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5 0TQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C1=CC=C(C(=O)C=C1)O 0TR 2-hydroxycyclohepta-2,4,6-trien-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O 0TS beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano syl-(1->4)-1-thio-beta-d-glucopyranose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O 0TT 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione +c1cc2c(cc1Cl)C=CC(=O)N2 0TU 6-chloroquinolin-2(1h)-one +CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl 0TX (4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine +Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 0TZ 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0U l-uridine-5'-monophosphate +Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5 0U0 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine +C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 0U1 2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0U3 n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O 0U4 n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C 0U5 (2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C 0U6 (2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl 0U7 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O 0U8 (1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol +C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 0U9 s-bicalutamide +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 0UA 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O 0UB beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose +c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br 0UC 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C 0UD n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN 0UE ferrioxamine b +CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC 0UF 3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O 0UH 2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate) +c1cc2c(cc1O)-c3ccsc3NC2=O 0UI 8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one +CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3 0UJ n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide +C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O 0UK 3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid +c1ccc(cc1)c2cn3c(cn2)nc(n3)N 0UL 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine +CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 0UM (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl 0UN n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N 0UO 4-methoxy-l-tryptophan +C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UP 4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol +C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UQ (5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide +C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5 0US n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide +c1ccc(cc1)C(c2ccccc2)(C(=O)O)O 0UT hydroxy(diphenyl)acetic acid +COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5 0UU methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate +CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O 0UV 4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide +c1ccc(cc1)C2=NNC(=O)N2 0UW 5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N 0UX 6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc(c(cc1[C@H](C(=O)O)N)Cl)O 0UZ (2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid +CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2 0V0 (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N 0V2 6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N 0V3 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC 0V4 (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside +C[C@H](C(=O)O)OP(=O)(O)O 0V5 (2r)-2-(phosphonooxy)propanoic acid +[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 0V6 (2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one +c1cc(cc(c1)F)CNCCS(=O)(=O)O 0V7 2-[(3-fluorobenzyl)amino]ethanesulfonic acid +c1cc(cc(c1)Br)CNCCS(=O)(=O)O 0V8 2-[(3-bromobenzyl)amino]ethanesulfonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC 0V9 (19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate +[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VA n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VB n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3 0VC 3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine +c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N 0VD (3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one +CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O 0VE 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol +COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3 0VF 4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid +C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5 0VG n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine +CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0VH 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide +COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O 0VJ 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione +CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VK 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F 0VM 2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile +CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N 0VN 2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile +CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO 0VO (4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol +CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VP 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol +CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO 0VQ (3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol +c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 0VR 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0VS l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine +CC(=CCCC(=O)C)C 0VT 6-methylhept-5-en-2-one +c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N 0VU 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide +c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2 0VV n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide +C1CNC(=NS(=O)(=O)N)NC1 0VW n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide +C1CO/C(=N\S(=O)(=O)N)/N1 0VX n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide +C1CCN(C1)/C(=N/S(=O)(=O)N)/N 0VY n'-sulfamoylpyrrolidine-1-carboximidamide +CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1 0VZ ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O 0W0 (4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid +Cc1c2cc(sc2n(n1)C)C(=O)O 0W1 1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid +C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6 0W2 1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea +C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O 0W3 (4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid +c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl 0W4 ~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +CC(C)CCCCC/C=C/C=C/C(=O)O 0W5 (2e,4e)-11-methyldodeca-2,4-dienoic acid +C[C@@H](CCC(=O)O)N 0W6 (4s)-4-aminopentanoic acid +c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3 0W7 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide +CCN1c2ccccc2NC1=O 0W8 1-ethyl-1,3-dihydro-2h-benzimidazol-2-one +c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O 0WA 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol +c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N 0WB 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile +C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O 0WC (2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N 0WD [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4 0WE n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5 0WF 1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F 0WH 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone +C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O 0WK 1,5-anhydro-6-o-phosphono-d-glucitol +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5 0WL 1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WM (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WN n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O 0WO (2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid +CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F 0WP 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide +CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O 0WR 2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol +c1c[nH]nc1c2cc(ccn2)C(=O)O 0WS 2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl 0WT (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC1=CC[C@@H](CC1=O)C(=C)C 0WU (5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +Cc1ccc(cc1O)C(=C)C 0WV 2-methyl-5-(prop-1-en-2-yl)phenol +c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0WW 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O 0WX 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N 0WY 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N 0WZ 3-(1h-pyrazol-1-yl)-l-tyrosine +Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC 0X0 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O 0X1 (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl 0X2 2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide +c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F 0X3 n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 0X5 2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3 0X6 2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +Cc1ccccc1CNc2c(nccn2)C(=O)N 0X7 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C 0X8 (~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N 0X9 n~2~-sulfamoyl-l-arginine +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O 0XA (4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3 0XB n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +[H]/N=C(\CCCCN)/C(=O)O 0XC (2e)-6-amino-2-iminohexanoic acid +[H]/N=C(\CCSC)/C(=O)O 0XD (2e)-2-imino-4-(methylsulfanyl)butanoic acid +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2 0XE 5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid +Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0XF 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide +CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O 0XG 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl 0XH 2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C/C(=C\COP(=O)(O)O)/c1ccccc1 0XI (2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate +CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C 0XJ (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCC(CC)(C(=O)O)N 0XL 2-amino-2-ethylbutanoic acid +c1ccc(cc1)C(c2ccccc2)N 0XM 1,1-diphenylmethanamine +c1cc(ccc1C(c2ccc(cc2)F)N)F 0XN 1,1-bis(4-fluorophenyl)methanamine +C[C@@](CCCCN)(C(=O)O)N 0XO 2-methyl-d-lysine +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F 0XP 2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C[C@@](CCCCCCN)(C(=O)O)N 0XQ (2r)-2,8-diamino-2-methyloctanoic acid +CCOC(=O)/C=C/c1ccc(c(c1)O)O 0XR ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br 0XS 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide +Cc1c(nc2c(n1)c(nc(n2)N)N)OC 0XT 7-methoxy-6-methylpteridine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N 0XU (2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid +Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C 0XV (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone +C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C 0XW (2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0XX n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O 0XY 5-fluoro-n-acetyl-alpha-d-glucosamine +c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl 0XZ 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N 0Y0 5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y1 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y2 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0Y3 n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C 0Y4 n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O 0Y5 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid +CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0Y7 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid +c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br 0Y8 (4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline +C=C[C@@H]1C[C@@]1(C(=O)O)N 0Y9 (1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid +C1CC1S(=O)(=O)N 0YA cyclopropanesulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O 0YB 2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cnc1)CN 0YC 1-(pyridin-3-yl)methanamine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O 0YD 3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid +c1ccc(cc1)c2cc(on2)CCC(=O)O 0YE 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)CCC(=O)O 0YF 3-(biphenyl-4-yl)propanoic acid +c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O 0YG n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC 0YH 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl 0YI 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C 0YJ 7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide +CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 0YK 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O 0YL (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid +Cc1c(csc1CCO)Cc2cnc(nc2N)C 0YN 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol +COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4 0YO 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br 0YP n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O 0YQ 2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) +C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O 0YR (2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide +c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O 0YS (5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline +CC(=O)NC1C(C(C(SC1O)CO)O)O 0YT 2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose +c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5 0YU n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide +c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN 0YV 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine +CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-] 0YW 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid +CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br 0YX (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid +CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O 0YY (2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid +CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O 0YZ (2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid + 0Z0 n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z1 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F 0Z2 n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z3 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z4 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0Z6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O 0Z7 n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1 0Z9 n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C 0ZA 3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one + 0ZB n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine + 0ZC (3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 0ZD n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N 0ZE [[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N 0ZG 3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide + 0ZI amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS 0ZJ n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O 0ZL n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 0ZN n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O 0ZO n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O 0ZP n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide +CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3 0ZQ n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZR n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZS n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZT n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO 0ZW n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide + 0ZX n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC 0ZY n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br 0ZZ 5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid +c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O 100 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N 101 2'-deoxy-adenosine 3'-monophosphate +c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N 102 gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O 103 2',5'-dideoxy-adenosine 3'-monophosphate +C(CNCCNCCN)N 104 n,n'-bis(2-aminoethyl)-1,2-ethanediamine +B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O 105 n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid +c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N 106 4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O 107 4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide +C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N 108 2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N 109 2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +CCCCCCCCCC[N+](C)(C)CCCCCCCCCC 10A didecyl-dimethyl-ammonium +CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2 10B n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid +C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O 10C 4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF 10D (2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN 10E (2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O 10F n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS 10G (2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O 10H 1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one +[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC 10I n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N 10J 3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4 10K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide +c1cc2cn[nH]c2c(c1)N 10L 1h-indazol-7-amine +CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 10M decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C 10N n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N 10O 3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 10P d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N 10Q 2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O 10R 1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O 10S 1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid +c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N 10U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N 10V 3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F 10W 2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile +CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O 10X (9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O 10Y (9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 10Z n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine +CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O 110 3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester +CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C 111 (1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N 112 thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester +C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2 113 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O 114 (3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid +CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F 115 (3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid +CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O 116 7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 117 7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid +c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4 118 tetraphenylantimonium ion +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 119 tetraphenylphosphonium ion +CCCCCCCCCCC(=O)O 11A undecanoic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O 11B (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +C(C[C@H](C(=O)O)N)CC(=O)O 11C (2r)-2-aminohexanedioic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O 11D 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid +c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N 11E n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine +Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3 11F 5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C 11G (7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one +c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O 11H 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid +Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 11I methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I 11J n-biphenyl-3-yl-2-iodobenzamide +c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4 11K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide +CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 11M 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine +c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN 11N 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine +CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O 11O (trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid +c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O 11P [(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) +C1CCC(CC1)CN2CCC[C@H]2C(=O)O 11Q 1-(cyclohexylmethyl)-l-proline +CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 11R ruthenium wire, 11 carbon linker +c1cc2c(cc[nH]2)cc1Cl 11S 5-chloro-1h-indole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N 11U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide +c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl 11V 1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O 11W (4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid +c1ccc(cc1)NCc2cccnc2 11X n-(pyridin-3-ylmethyl)aniline +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O 11Y 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid +C1CCC(CC1)CCCCCCCCCCC(=O)O 11Z 11-cyclohexylundecanoic acid +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O 120 2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 121 2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O 122 2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine +COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 123 2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O 124 2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF 125 2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC 126 2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON 127 2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N 128 spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate +C(CP(=O)(O)O)N(C=O)O 129 [2(formyl-hydroxy-amino)-ethyl]-phosphonic acid +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O 12A 2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate +c1cc2cccc3c2c(c1)C(=O)N3 12B benzo[cd]indol-2(1h)-one +c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6 12C 4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N 12D 2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) +c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 12E n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O 12F [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl 12G {4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +C(CCCCCC(=O)O)CCCCCO 12H 12-hydroxydodecanoic acid +CN1CCN(CC1)c2c3ccccc3ncn2 12I 4-(4-methylpiperazin-1-yl)quinazoline +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I 12J 2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide +CC1(CCCCC1)NC(=O)O 12K (1-methylcyclohexyl)carbamic acid +CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C 12L (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid +CCc1ccccc1CO 12M (2-ethylphenyl)methanol +C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N 12N (2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O 12O (1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 12P dodecaethylene glycol +CN1c2ccccc2C=CC1=O 12Q 1-methylquinolin-2(1h)-one +c1ccc(cc1)NNc2c3cn[nH]c3ncn2 12R 4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN 12S 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +c1cc(c(cc1C(=O)O)N)C(=O)O 12T 2-aminobenzene-1,4-dicarboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N 12U n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O 12V (2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1CCC(C1)OC(=O)O 12W cyclopentyl hydrogen carbonate +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12X (4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12Y (4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N 12Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N 130 2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 132 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine +[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N 133 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N 134 6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine +[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N 135 n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide +[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N 136 n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide +c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 137 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O 138 n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N 139 adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O 13A 7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O 13C (5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione +C(CN)CN 13D 1,3-diaminopropane +CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N 13E n-[(2s)-2-amino-3-phenylpropyl]-l-methionine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3 13F 3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 13H (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O 13I (e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate +CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13J 3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N 13K n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13L 3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O 13M (2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid +c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O 13N (5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide +C(C(=O)COP(=O)(O)O)O 13P 1,3-dihydroxyacetonephosphate +c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O 13Q [(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid +CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13R 13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13S 13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid +C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O 13T 13-deoxytedanolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N 13U n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O 13V 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol +[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N 13W 3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile +c1c(cc(cc1O)O)O 13X benzene-1,3,5-triol +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O 13Y 2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O 13Z 2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol +CCCCCCCCCCCCCCCC(=O)NCC(=O)O 140 n-palmitoylglycine +C1=C2C(=NC(=O)NC2=O)NN1 141 oxypurinol +C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN 142 carbidopa +C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 143 s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine +C[N+](CO)(CO)CO 144 tris-hydroxymethyl-methyl-ammonium +c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 145 2-nitrophenyl beta-d-galactopyranoside +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O 146 [4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide] +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 147 4-nitrophenyl beta-d-galactopyranoside +C(CO)N(CCO)C(CO)(CO)CO 148 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O 149 d-galactonolactone +C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N 14A n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide +Cc1cc(c(c(c1)C(=O)O)N)C 14B 2-amino-3,5-dimethylbenzoic acid +Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl 14C 2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F 14D 5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O 14E (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid +COc1cc(c(cc1OC)N)C(=O)O 14F 2-amino-4,5-dimethoxybenzoic acid +CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 14H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide +c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O 14I naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid +c1cc(oc1C(=O)O)Br 14J 5-bromofuran-2-carboxylic acid +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C 14K 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O 14L (11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3 14M {(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)O 14N 4-(4-methylpiperazin-1-yl)benzoic acid +c1cc2c(cc[nH]2)cc1F 14O 5-fluoro-1h-indole +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4 14Q 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine +CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7 14R 5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one +COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 14S 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F 14T 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside +CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O 14U (2s)-2-methyl-3-oxooctadecanoic acid +CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O 14V 3,5-dioxoicosanoic acid +[H]/N=C(/C)\NCc1cccc(c1)CN 14W n-(3-(aminomethyl)benzyl)acetamidine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3 14X 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +CCCCCCCC\C=C\CCCCCCCC(=O)OC 14Y methyl(e)-octadec-9-enoate +CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C 14Z n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +Cc1cc(c(cc1C)N)N 150 4,5-dimethyl-1,2-phenylenediamine +CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O 151 (2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid +C[N+](C)(C)C[C@@H](CC(=O)O)O 152 carnitine +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl 153 (2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl 154 (2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid +CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 155 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide +CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C 156 4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid +C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O 157 6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine +CC(=O)[C@H](CC(=O)O)NC(=O)CS 158 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid +c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O 159 2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid +C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N 15A (2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN 15B n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C 15C 2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione +CN1Cc2cc(ccc2NC1=O)Br 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one +[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2 15F 1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium +COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F 15G 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O 15H (1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3 15I 6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO 15J (1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol +[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O 15L d-galactaro-1,5-lactone +CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O 15M (5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide +c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N (2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +c1ccc2c(c1)cccc2Cl 15O 1-chloronaphthalene +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P polyethylene glycol (n=34) +c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O 15Q 2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F 15R (9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one +C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O 15S n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O 15T 3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C 15U (2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid +Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4 15V n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O 15W 7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one +COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N 15X 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea +C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O 15Y (3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid +c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O 15Z 2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C 160 3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O 161 5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid +Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 162 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 163 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O 164 2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N 165 n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide +c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O 166 6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid +COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O 167 6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O 168 pantothenyl-aminoethanol-acetate pivalic acid +CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O 169 1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid +CCCCCCCCCCCCCCCC[N+](C)(C)C 16A cetyl-trimethyl-ammonium +C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 16B n-hydroxycytidine 5'-(dihydrogen phosphate) +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 16C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide +C(CCCN)CCN 16D hexane-1,6-diamine +C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 16E n-(16-carboxyhexadecanoyl)-l-glutamic acid +c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 16F n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 16G 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 16H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4 16I n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide +c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl 16J [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] 16K 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine +Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C 16L n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide +CCSc1ccccc1 16M (ethylsulfanyl)benzene +c1ccc2c(c1)CCC2 16N 2,3-dihydro-1h-indene +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br 16O n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CCOCCOCCOCCOCCOCCOCC 16P 3,6,9,12,15,18-hexaoxaicosane +CCOc1ccccc1 16Q ethoxybenzene +CSc1ccccc1 16R (methylsulfanyl)benzene +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O 16S 2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O 16T 1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl 16U n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide +Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O 16V 3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid +c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N 16W 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4 16X 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine +C(CCCCCCCC(=O)O)CCCCCCCO 16Y 16-hydroxyhexadecanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O 16Z (2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol +c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-] 170 (2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide +c1ccc(cc1)NCCS(=O)(=O)O 171 2-phenylamino-ethanesulfonic acid +c1cc2c(cc1O)nc([nH]2)N 172 2-amino-5-hydroxy-benzimidazole +c1ccc(cc1)C(=O)C(=O)O 173 benzoyl-formic acid +c1cc(ccc1C(=O)O)Cl 174 4-chloro-benzoic acid +C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N 175 3,5-dihydro-5-methylidene-4h-imidazol-4-on +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N 176 1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide +CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl 177 1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide +CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O 178 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol +c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 179 n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 17A (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN 17B (2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 17C 2,2'-iminodibenzoic acid +c1ccc(cc1)Cc2ccccc2C(=O)O 17D 2-benzylbenzoic acid +CC1=CNC(=O)N=C1N 17E 5-methylcytosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC 17F o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine +c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F 17G 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one +CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O 17H 17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one +[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC 17I n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea +c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4 17J 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide +C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O 17K (3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine +CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC 17L (9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O 17M 17-methyl-17-alpha-dihydroequilenin +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O 17N 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid +c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2 17O (7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5 17P 1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide +CN(C)CCCCCOC1CCCCCCCCCCC1 17Q 1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F 17R (2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine +COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 17S n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 17T n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H]([C@H](C(=C)C)O)N 17U (3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol +CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N 17V 2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide +c1ccc(cc1)OCCSc2[nH]c3ccccc3n2 17W 2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole +c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8 17X (2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate +C1C[C@H]([C@H](C1)O)O 17Y (1r,2s)-cyclopentane-1,2-diol +Cc1cc(c2ccccc2c1O)O 17Z 2-methylnaphthalene-1,4-diol +c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O 180 2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid +c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO 181 1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO 182 1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO 183 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione +CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C 184 6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N 185 (6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol +C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2 186 [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F 187 1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O 188 pyochelin fe(iii) +Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C 189 n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide +CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18A n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C 18B 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 18C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 18D 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl 18E 7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol +c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4 18F 1-benzyl-2-phenyl-1h-benzimidazole +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC 18G 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3 18H 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 18I 3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide +CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18J n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide +Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C 18K n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O 18L (2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O 18M 2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate) +c1cc2cccc3c2c(c1)C(=O)NC3=O 18N 1h-benzo[de]isoquinoline-1,3(2h)-dione +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 18O n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 18P n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide +c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 18Q 2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 18R 3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide +Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 18S n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 18T [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 18U 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 18V 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 18W 3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N 18X methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O 18Y trioxacarcin a analogue, bound form +c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N 18Z 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C 190 n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O 191 propionyl coenzyme a +C1CC(C1)(C(=O)O)N 192 1-aminocyclobutanecarboxlic acid +C(CNC(=O)CCN)[C@@H](C(=O)O)N 193 (2s)-4-(beta-alanylamino)-2-aminobutanoic acid +c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O 194 4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O 195 4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O 196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 197 4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid +C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 198 r-bicalutamide +CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5 199 n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide +CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3 19A n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6 19B 4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide +c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F 19C 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O 19D (1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid +Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl 19E 11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol +Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC 19F 2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O 19G 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl 19H 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O 19J 2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C 19K n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N 19L (2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N 19M (2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid +[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O 19N [(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid + 19O natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate +Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C 19P 1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one +C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19Q 2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19R 2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4 19S 2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C 19T (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid +CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 19U 1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide +CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N 19V 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide +C(C[C@@H](C(=O)O)N)CON 19W 5-(aminooxy)-l-norvaline +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl 19X 6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one +CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O 19Y 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O 19Z 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl 1A0 (3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine +c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5 1A1 n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide +CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F 1A2 5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile +c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3 1A3 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide +c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A4 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide +c1cc(ccc1C(=O)N)N2CCOC2=O 1A5 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide +Cc1cc(on1)CSc2nnc3n2cccc3 1A6 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)C2=CSC(=O)N2)F 1A7 4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one +CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A8 n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide +c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4 1A9 3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide +c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N 1AA 5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine +C1[C@H]([C@@H]([C@H](N1)CO)O)O 1AB 1,4-dideoxy-1,4-imino-d-arabinitol +C1CC1(C(=O)O)N 1AC 1-aminocyclopropanecarboxylic acid +CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN 1AD (1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CCCC(=O)/C(=C/OP(=O)(O)O)/O 1AE (1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate +c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5 1AF 2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O 1AG (2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC 1AH 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C 1AI ~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +c1csc2c1CN(CC2)C(=O)n3ccnc3 1AJ 6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone +CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N 1AK 4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile +C(C(=O)[O-])(NC(=O)N)NC(=O)N 1AL allantoate ion +COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5 1AM 2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide +c1ccc(c(c1)N)F 1AN 2-fluoroaniline +c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5 1AO 2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N 1AP 2,6-diaminopurine nucleotide +CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC 1AQ (3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C 1AR 4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C 1AS (~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 1AT beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4 1AU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea +c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4 1AV 7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3 1AW 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea +C([C@H](COC[C@@H](CO)O)O)O 1AX (2r,2'r)-3,3'-oxydipropane-1,2-diol +Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl 1AY (1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine +Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C 1AZ 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione +Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4 1B0 n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide +CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4 1B1 (2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O 1B2 n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O 1B3 n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC 1B4 n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl 1B5 2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4 1B6 n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C 1B7 n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C 1B8 3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C 1B9 3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O 1BA 4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C 1BB 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl 1BC 2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one +c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F 1BD 3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C 1BE n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C 1BF n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC 1BG (3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1BH n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol +c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6 1BI 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide +c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O 1BJ trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol +CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O 1BK trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O 1BL (2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid +CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O 1BM 3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol +c1ccc(cc1)Cn2ccnc2 1BN 1-benzyl-1h-imidazole +CCCCO 1BO 1-butanol +C[C@H](CBr)O 1BP 1-bromopropane-2-ol +CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO 1BQ [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone +CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C 1BR n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C 1BS 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N 1BT (2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC 1BV (2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide +CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO 1BW n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide +CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O 1BX 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one +c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O 1BY [2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1=CC(=O)N(C(=C1)Cc2ccccc2)O 1BZ 6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one +B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O 1C0 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N 1C1 amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O 1C2 3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O 1C3 1-(3,4,5-trimethoxybenzyl)-l-proline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O 1C4 (2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name) +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N 1C5 [[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine +Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C 1C7 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C 1C8 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one +COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F 1C9 (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 1CA desoxycorticosterone +C1CCC(C1)N 1CB cyclopentanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O 1CC 5-carboxy-2'-deoxycytidine monophosphate +C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O 1CD (13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione +C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1 1CE 3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O 1CF 2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside +c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F 1CG [(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid +CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C 1CH n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine +c1cc(ccc1n2ccnc2)Cl 1CI 1-(4-chlorophenyl)-1h-imidazole +CCO[C@H](c1cnn2c1cccc2)O 1CJ (r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol +Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br 1CK 4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58 1CL fe(8)-s(7) cluster, oxidized +CC[C@H](c1ccccc1)C(=O)Nc2ccncc2 1CM (2r)-2-phenyl-n-pyridin-4-ylbutanamide +c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 1CN 5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@@](CCS)(CC(=O)O)O 1CO (3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C 1CP coproporphyrinogen i +c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O 1CQ 4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 1CR popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl 1CS 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea +c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O 1CT [2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +[OH2][Cu+2] 1CU copper ion, 1 water coordinated +C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O 1CV (3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(c(c(c1)N)O)C(=O)O 1CW 3-amino-2-hydroxybenzoic acid +c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F 1CX (5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide +CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C 1CY 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 1CZ (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O 1D0 (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C 1D1 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C 1D2 cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C 1D4 cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br 1D5 (4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid +Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O 1D6 {4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O 1D8 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F 1D9 3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1DA 1-deaza-adenosine +CCCCCCCCCCS(=O)(=O)O 1DB 1-decane-sulfonic-acid +C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1DC 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide +Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F 1DD 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole +c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O 1DE 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O 1DF 4-hydroxy-3-methoxy-5-nitrobenzoic acid +c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O 1DG (4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +c1c(sc(n1)N)Cl 1DH 5-chloro-1,3-thiazol-2-amine +c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N 1DI (2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one +C#C[C@H](c1ccccc1)O 1DJ (1r)-1-phenylprop-2-yn-1-ol +Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C 1DK {4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br 1DL 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4 1DM n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1DN 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CCCCCCCCCCCCO 1DO 1-dodecanol +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1DP n1-deaza-adenosine-5'-monophosphate +c1c([nH]cn1)C(F)(F)F 1DQ 5-(trifluoromethyl)-1h-imidazole +c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O 1DR 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde +CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O 1DS 1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4 1DT n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +c1cnn(c1)CCO 1DU 2-(1h-pyrazol-1-yl)ethanol +Cc1cc(n[nH]1)C(F)(F)F 1DV 5-methyl-3-(trifluoromethyl)-1h-pyrazole +c1cc(c(cc1O)C=O)Br 1DW 2-bromo-5-hydroxybenzaldehyde +c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O 1DX 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1DY n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3 1DZ 1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid +CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1E0 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +C1CC1C[C@@H]([C@H](C(=O)N)O)N 1E1 (2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide +CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O 1E2 (2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside +C(CCC[C@@H](C(=O)O)N)CCCN 1E3 (2s)-2,9-diaminononanoic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O 1E4 1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol +c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O 1E5 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O 1E6 6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl 1E7 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 1E8 1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl 1E9 n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide +Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4 1EA 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid +c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-] 1EB n-(4-nitrophenyl)cyclopropanecarboxamide +[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O 1EC [(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O 1ED (3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione +[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O 1EE [(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-) +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO 1EF n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N 1EG 5'-o-(l-alpha-glutamylsulfamoyl)guanosine +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl 1EH 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O 1EI 5'-o-(l-alpha-glutamylsulfamoyl)inosine +c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F 1EJ 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid +c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl 1EK {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid +Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2 1EL 9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC 1EM (1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate +c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F 1EN 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F 1EO (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol +CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C 1EP (5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione +c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5 1EQ 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine +CC(C)(C)c1cccc(c1)C2=CC=CNC2=O 1ER 3-(3-tert-butylphenyl)pyridin-2(1h)-one +Cn1cc(c2c1cccc2)CCN 1ES 2-(1-methyl-1h-indol-3-yl)ethanamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C 1ET 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3 1EU 1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C 1EV 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile +Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN 1EW 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CC/C=C\C=C/CCCCCCCCCCO 1EX (11z,13z)-hexadeca-11,13-dien-1-ol +CC/C=C\C=C/CCCCCCCCCC=O 1EY (11z,13z)-hexadeca-11,13-dienal +c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N 1EZ n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C 1F0 [(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +c1cc(cc2c1cc[nH]2)C(=O)O 1F1 1h-indole-6-carboxylic acid +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F2 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F3 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F4 (3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O 1F5 (1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol +CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F 1F6 (3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O 1F7 s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate +Cc1c(c2ccccc2o1)C(=O)NCCS 1F8 2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide +c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F 1FA [(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl 1FB 1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O 1FC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +c1cc(ccc1CN)OC(F)(F)F 1FD 1-[4-(trifluoromethoxy)phenyl]methanamine +c1cc2c(cc1NC(=O)CN)NC(=O)N2 1FE n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide +Cn1c(c(cn1)C(=O)O)c2ccccc2 1FF 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid +CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4 1FG 2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O 1FH 12-phenylheme +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F 1FI 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide +Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2 1FJ ~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide +CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3 1FK 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone +c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O 1FL 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid +C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O 1FM (3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F 1FN 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O 1FO 6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C1CN(CCN1)C=O 1FP piperazine-1-carbaldehyde +c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F 1FQ (2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO 1FR 3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl 1FS 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O 1FT 4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose +c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5 1FV n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FW (2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide +c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FX (2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide +CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3 1FY (2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 1FZ 5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine +c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N 1G0 cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N 1G1 n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-] 1G2 (2s)-2-azido-3-phenylpropanoic acid +CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N 1G3 (2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine +c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O 1G4 (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN 1G5 hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N 1G6 n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O 1G7 (3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione +c1cc(ccc1C[C@H](C(=O)O)N)CN 1G8 4-(aminomethyl)-d-phenylalanine +C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O 1G9 (3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione +CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C 1GA geraniline +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O 1GB (3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 1GC 2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine +c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N 1GD 2-phenyl-n-(4-sulfamoylbenzyl)acetamide +[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N 1GE 2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C 1GF (~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N 1GG (6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5 1GH 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one +C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O 1GI 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid +c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3 1GK n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC 1GL 2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose +CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GM 4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O 1GN 2-amino-2-deoxy-beta-d-galactopyranose +c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N 1GO n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide +C([C@@H](COP(=O)(O)O)O)O 1GP sn-glycerol-1-phosphate +CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GQ 4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GR 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GS 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GT 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GU 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O 1GV 4,4'-thiene-2,5-diylbis(3-methylphenol) +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 1GW 5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O 1GZ methylthioacryloyl-coa +CCOC(=O)C[C@@H](CC#N)O 1H1 ethyl (3r)-4-cyano-3-hydroxybutanoate +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O 1H2 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O 1H3 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol +c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 1H4 n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F 1H5 n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H6 n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H7 n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H8 n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O 1H9 8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O 1HA 1-hydroxy-2-naphthoyl-coa +CN(C)C(=O)CC[C@@H](CO)N 1HB (4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide +C=CC(=O)N 1HC prop-2-enamide +CC(=O)NC[C@@H](CO)N 1HD n-[(2s)-2-amino-3-hydroxypropyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O 1HE 3-methylmercaptopropionate-coa (mmpa-coa) +c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2 1HF (3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid +C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HG n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HH n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HJ n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3 1HK 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol +C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HL n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F 1HM n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1ccc2c(c1)ccc(c2O)C(=O)O 1HN 1-hydroxynaphthalene-2-carboxylic acid +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F 1HO n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +Cn1c2cc(cnc2nc1N)c3ccc(cc3)O 1HP 4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F 1HQ n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl 1HR (1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid +C[C@@H](CSCCS(=O)(=O)O)O 1HS 2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC 1HT (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate +CNCCc1c[nH]c2c1cccc2 1HU 2-(1h-indol-3-yl)-n-methylethanamine +CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN 1HV 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide +COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO 1HW 1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone +C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N 1HX n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide +c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 1HZ 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine +CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7 1I0 3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N 1I1 ((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid +CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC 1I3 3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O 1I4 (r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine +COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 1I6 methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6 1I8 (3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6 1I9 3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N 1IA (2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid +CCCCCCCC(=O)OC[C@H](C(=O)O)N 1IC o-octanoyl-d-serine +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C 1IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide +c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N 1IH (s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid +c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N 1IK (s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O 1IN 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide +c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N 1IO (s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N 1IP n~2~-(phosphonoacetyl)-l-asparagine +CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C 1IQ 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IR n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IS n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +c1ccc2c(c1)c3ccccc3o2 1IT dibenzofuran +C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N 1IU [3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid +COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O 1IX (~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol +CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O 1J0 collinone +C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N 1J1 n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine +CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O 1J2 trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5 1J3 4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide +CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC 1J4 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O 1J5 trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O 1J6 (trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile +c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl 1J9 (2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 1JB [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 1JC 1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide +Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl 1JD (2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide +CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O 1JE [(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O 1JF 4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O 1JG 2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3 1JH 2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid +CC[C@@H](O)P(=O)(O)O 1JJ [(1s)-1-hydroxypropyl]phosphonic acid +C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JK (2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3 1JL 2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid +CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O 1JM 4-carboxy-n-methyl-d-phenylalanine +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4 1JN 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole +c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N 1JO d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine +c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O 1JP d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide +C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JQ (2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4 1JR (4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one +c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO 1JS n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4 1JT 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2 1JU 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O 1JV 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol +C(CCO)C[C@@H](CO)O 1JW (2s)-hexane-1,2,6-triol +C[C@@H]1C(=O)Nc2c(cccn2)N1 1JX (2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO 1JY n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid +[H]/N=C(\N)/Nc1ccc(cc1)CO 1JZ 1-[4-(hydroxymethyl)phenyl]guanidine +Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC 1K0 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one +CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC 1K3 5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine +CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O 1K4 n-decanoyl-l-homoserine +c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O 1K5 (9-oxoacridin-10(9h)-yl)acetic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O 1K6 (2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid +c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N 1K7 (1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine +c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl 1K8 3-chloranyl-2-piperazin-1-yl-quinoline +c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F 1K9 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea +C(COCC=O)O 1KA (2-hydroxyethoxy)acetaldehyde +CSCCC=C[C@H](CC(=O)O)O 1KC (3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid +CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N 1KD 1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] +c1c(cnc(c1Cl)N2CCNCC2)I 1KE 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine +CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C 1KG (3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate +C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O 1KH arsenoribose +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC 1KJ n~5~-(n-methoxycarbamimidoyl)-l-ornithine +c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N 1KK (s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid +CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 1KL methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate +C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O 1KM (2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O 1KN (2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol +c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl 1KO 2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide +c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl 1KP (3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one +Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C 1KQ 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone +CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1KR benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F 1KS 4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide +COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2 1KT 1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5 1KU (1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC 1KV 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612 1KW ortho-carborane +c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4 1KX {(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol +COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 1KY 6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one +COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4 1KZ 2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate +CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O 1L0 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N 1L1 3-cyclohexyl-n-sulfamoyl-d-alanine +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 1L2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 1L3 menaquinone-4 +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L4 n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +C/C(=C\N(=O)=O)/c1ccccc1 1L5 [(1e)-1-nitroprop-1-en-2-yl]benzene +CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C 1L6 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one +c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N 1L7 (2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide +c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L8 8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1L9 n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1LA n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2 1LB (2s)-2-cyano-3-(1h-indazol-5-yl)propanamide +c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N 1LC (2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide +C1=C(C(=NC(=O)N1)N)F 1LD 5-fluorocytosine +CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N 1LE (2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide +Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC 1LF 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide +c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N 1LG 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+] 1LH (2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O 1LI n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N 1LJ 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea +C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F 1LK 1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O 1LL thioditaloside +c1ccc2c(c1)c(ccn2)N 1LM quinolin-4-amine +C1=CC=[N](C(=C1)N)CCO 1LN 2-(2-aminopyridin-1-ium-1-yl)ethanol +C[C@H](C=O)c1ccccc1 1LP tranylcypromine +c1ccc2c(c1)c(ncn2)N 1LQ quinazolin-4-amine +c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O 1LR 3-(benzoylamino)-2-hydroxybenzoic acid +c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1LS 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea +Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F 1LT (2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide +CC(C)C[C@@H](C(=O)O)O 1LU (2s)-2-hydroxy-4-methyl-pentanoic acid +c1csc2c1c(c3c(n2)CCCC3)N 1LW 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine +c1cc(n2ccnc2c1)N 1LX imidazo[1,2-a]pyridin-5-amine +c1cc2nccn2cc1N 1LY imidazo[1,2-a]pyridin-6-amine +c1c[nH]c2c1ncc(c2)CO 1LZ 1h-pyrrolo[3,2-b]pyridin-6-ylmethanol +C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7 1M0 1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole +c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5 1M1 (6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline +CNc1[nH]c2ccccc2n1 1M2 n-methyl-1h-benzimidazol-2-amine +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 1M3 n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide +CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C 1M4 (4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C 1M5 (4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C 1M6 3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile +CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C 1M7 (4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one +Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4 1M8 5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C 1M9 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C 1MA 6-hydro-1-methyladenosine-5'-monophosphate +c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F 1MB 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one +CN1C=CC(=NC1=O)N 1MC 1-methylcytosine +Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN 1MD 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide +CC([C@H](C(=O)O)N)SC 1ME (2s)-2-amino-3-methylsulfanyl-butanoic acid +c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O 1MF 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N 1MG 1n-methylguanosine-5'-monophosphate +c1cc(cnc1)C[C@@H](C(=O)O)N 1MH 3-pyridin-3-yl-l-alanine +C(CO)C(CO)CO 1MI 2-(hydroxymethyl)butane-1,4-diol +c1c[nH]c2c1ncc(c2)C=O 1MJ 1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde +CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C 1MK chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii) +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C 1ML 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1MM methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br 1MN (2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MO (2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one +C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MQ (2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid +CNc1ccccc1 1MR n-methylaniline +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-] 1MS n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl 1MT (2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O 1MV ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid +c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 1MX 2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide +CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 1MY {(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid +Cn1cc[nH+]c1 1MZ 1-methylimidazole +[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N 1N 1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine +C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl 1N1 n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide +C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O 1N2 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione +COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN 1N3 1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide +CCCc1cnn(c1[C@H](C(=O)O)N)O 1N4 (2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid +C(C[C@@H](C[C@H](C(=O)O)O)O)CO 1N5 (2r,4s)-2,4,7-trihydroxyheptanoic acid +c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F 1N6 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one +C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 1N7 chapso +CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F 1N8 n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C 1N9 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O 1NA n-acetyl-o-methyl-d-glucosamine +C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O 1NB 2-(2-hydroxy-cyclopentyl)-pent-4-enal +c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1ND 1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3 1NE n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O 1NF n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1NG 1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2 1NH (2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O 1NI 4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N 1NJ 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC 1NK 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC 1NL 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N 1NM 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NN 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NO 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +c1ccc2c(c1)cccc2O 1NP 1-naphthol +CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3 1NQ n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide +CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NR 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NS 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O 1NT (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid +c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F 1NU 1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N 1NV 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5 1NW 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C 1NX 2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C 1NY 4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6 1NZ 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F 1O0 6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O 1O1 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC 1O2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate +c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br 1O3 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid +c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1O4 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C 1O5 5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C 1O6 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid +CCOc1ccc2c(c1)-c3ccsc3NC2=O 1O7 8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2 1O8 (2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O 1O9 (4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline +c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F 1OA n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N 1OB 5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F 1OC n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O 1OD (4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl 1OE 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid +c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1OF [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate +CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O 1OG 7-alkylidenecephalosporin dcm-1-10, bound form +CC(C)(c1ccccc1)c2ccc(cc2)O 1OH 4-(1-methyl-1-phenylethyl)phenol +COc1ccc2c(c1)-c3ccsc3NC2=O 1OI 8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3 1OJ (2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N 1OK (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide +C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O 1OL (2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O 1OM 4-{bis[4-(dimethylamino)phenyl]methyl}phenol +c1ccc2c(c1)CCC2=O 1ON 2,3-dihydro-1h-inden-1-one +c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F 1OO n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO 1OP o-(5-hydroxypentyl)-l-tyrosine +c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F 1OQ (2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile +CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 1OR (2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N 1OS [(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid +c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O 1OT {(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid +[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O 1OU [(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid +[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O 1OV [(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid +c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3 1OX 2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl 1OY (3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 1OZ n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide +c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO 1P0 2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol +Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N 1P1 (22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N 1P2 (23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +C[C@@H]1CCCN(C1)C(=O)C 1P3 (3r)-1-acetyl-3-methylpiperidine +c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO 1P4 3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol +CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N 1P5 (3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide +C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N 1P6 3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine +c1cc2c(cc1Cl)C(=O)NC2 1P7 6-chloro-2,3-dihydro-1h-isoindol-1-one +c1cc2c(cc1Br)NC(=O)C2 1P8 6-bromo-1,3-dihydro-2h-indol-2-one +CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br 1P9 (3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid +c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O 1PA 4-(carboxymethyl)-l-phenylalanine +c1ccc(cc1)CC\C=C\c2ccccc2 1PB 1,4-diphenyl-2-butene +c1ccc(cc1)C2(CCCCC2)N3CCCCC3 1PC 1-(phenyl-1-cyclohexyl)piperidine +CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 1PD 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide +C(COCCOCCOCCOCCO)O 1PE pentaethylene glycol +CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3 1PF 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole +COCCOCCOCCOCCOCCO 1PG 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol +c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N 1PH 2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide +[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N 1PI (3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +COc1ccc(cc1)C2(CC2)C(=O)O 1PJ 1-(4-methoxyphenyl)cyclopropanecarboxylic acid +c1cc2cccc3c2c(c1)NC(=N3)N 1PK 1h-perimidin-2-amine +C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C 1PL (1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid +COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5 1PM methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate +C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C 1PN prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate +C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC 1PO n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl 1PP 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea +C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC 1PQ (4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N 1PR phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester +c1cc[n+](cc1)CCCS(=O)(=O)[O-] 1PS 3-pyridinium-1-ylpropane-1-sulfonate +C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2 1PT cyclohexane-1(r),2(r)-diamine-platinum(ii) +c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O 1PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea +B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O 1PV [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O 1PW (2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 1PX (2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +c1ccc(cc1)CC(=O)C(=O)O 1PY 2-oxo-3-phenylpropionic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O 1PZ (2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O 1Q0 (2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate +CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O 1Q1 1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one +[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O 1Q2 (4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one +c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O 1Q3 (1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile +c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O 1Q4 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one +CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C 1Q5 3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine +Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C 1Q6 6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C 1Q7 6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +c1ccc(cc1)C(=O)NCO 1Q8 n-(hydroxymethyl)benzamide +CCOc1c(cc(cc1CNc2[nH]nnn2)C)C 1Q9 n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O 1QA (2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid +CC(=O)NC1=CCC2=C(C1)CC=C2 1QB n-(4,7-dihydro-1h-inden-6-yl)acetamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N 1QC n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1QD [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 1QE n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4 1QF n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4 1QG (3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine +CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N 1QI (2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F 1QJ {4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol +CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO 1QK 3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium +CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2 1QL (2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4 1QM 9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine +CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C 1QN 1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine +c1ccc(cc1)CNc2nccc(n2)c3cccnc3 1QO n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine +CCOC(=O)c1cnn2c1cccc2 1QP ethyl pyrazolo[1,5-a]pyridine-3-carboxylate +CC[C@H](C)C(=O)C(=O)O 1QQ (3s)-3-methyl-2-oxopentanoic acid +c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4 1QR n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F 1QS n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O 1QT (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one +c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5 1QU 1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide +c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F 1QV 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)O 1QW (2r)-2,3-dihydroxypropyl dodecanoate +CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1QX dodecyl hydrogen (s)-(3-azidopropyl)phosphonate +CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O 1QY tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4 1QZ 6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4 1R0 6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1R1 hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate +c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-] 1R2 3-hydroxy-5-(3-nitrophenoxy)benzoic acid +CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O 1R3 n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] 1R4 l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine +c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F 1R5 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O 1R6 (12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione +c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5 1R7 n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O 1R8 (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one +Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4 1R9 2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide +CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4 1RA ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate +c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1RB 1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate +CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl 1RC (1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2 1RD n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide +CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC 1RE 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile +C(COCCO[V](O)(O)(O)O)O 1RF vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1) +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O 1RG (4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC 1RH n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide +c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4 1RI 3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC 1RK 6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid +CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O 1RL benzoxazinorifamycin-2b +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 1RM benzoxazinorifamycin-2c +C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O 1RN (e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine +c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4 1RO (5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F 1RP 6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O 1RQ cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C 1RR n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4 1RS 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +C1=C(C(=NC(=O)N1)N)C(=O)O 1RT 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5 1RU 7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine +c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2 1RV 2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 1RY [[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 1RZ lamivudine triphosphate +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 1S0 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC 1S1 2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile +Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3 1S2 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O 1S3 (2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N 1S4 alpha-muramic acid +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N 1S5 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium +Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O 1S6 (2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2 1S7 (2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5 1S8 n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 1S9 [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid +c1(nnc(s1)S(=O)(=O)N)N 1SA 5-amino-1,3,4-thiadiazole-2-sulfonamide +COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O 1SB n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O 1SC 5'-o-thiophosphonocytidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O 1SD (1s)-1,5-anhydro-1-sulfamoyl-d-galactitol +c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O 1SE n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide +c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O 1SF 1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O 1SG n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide +CNCCOP(=O)(O)O 1SH 2-(methylamino)ethyl dihydrogen phosphate +c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F 1SI 3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O 1SJ (3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O 1SL (3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C 1SM methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O 1SN (3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O 1SO (3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC[C@@H](CO)O 1SP (2s)-pentane-1,2-diol +c1ccc2c(c1)ccnc2N 1SQ isoquinolin-1-amine +CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C 1SS (1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC 1ST (5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one +c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5 1SU n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C 1SV (4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium +c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F 1SW n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3 1SX 4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N 1SY cgamp +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C 1SZ n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide +CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 1T4 n-(pyren-1-yl)acetamide +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T5 3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T6 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid +[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N 1T7 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O 1T8 methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O 1T9 (2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate +C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O 1TA triamcinolone acetonide +Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1TB methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate +Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC 1TC n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2 1TD 3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O 1TE tebipenem +c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F 1TH 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione +Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O 1TJ 1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione +C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O 1TL 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O 1TM 4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] 1TN 5-hexyl-2-(2-nitrophenoxy)phenol +Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C 1TP 1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O 1TQ 6-(formylamino)-7-hydroxy-l-tryptophan +CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F 1TR 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N 1TS (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide +C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2 1TT (8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one +Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F 1TU 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol +C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O 1TW 2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +COC(=O)CCCC[C@@H](C(=O)O)N 1TX (2s)-2-amino-7-methoxy-7-oxoheptanoic acid +c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 1TY 3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine +Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C 1TZ (2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O 1U0 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N 1U1 5-chloro-3-sulfamoylthiophene-2-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N 1U2 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide +Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O 1U3 n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O 1U4 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine +C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O 1U5 (1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid +CCN1C(=O)CC(=O)N(C1=S)CC 1U6 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O 1U7 (4r,4as,8as)-4-phenyldecahydroquinolin-4-ol +Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C 1U8 (3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid +[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N 1U9 6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide +Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2 1UA 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O 1UC (2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N 1UD methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside +c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N 1UE 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O 1UF n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid +c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N 1UG 2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6 1UH 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine +CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC 1UJ methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate +CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F 1UK n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide +CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N 1UL 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone +Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O 1UN 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide +c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl 1UO trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol +[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N 1UP 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide +CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O 1UQ [(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O 1UR 4-(4-oxo-4h-chromen-2-yl)benzoic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl 1US 2-(2-chloranylphenoxy)-5-hexyl-phenol +CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UT 2-[4-(dimethylamino)phenyl]-4h-chromen-4-one +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5 1UV (3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid +CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UW ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N 1UX 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N 1UZ 4-(4-oxo-4h-chromen-2-yl)benzonitrile +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-] 1V0 2-(4-nitrophenyl)-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl 1V1 2-(4-chlorophenyl)-4h-chromen-4-one +c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl 1V2 (2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl 1V3 6-chloro-2-phenyl-4h-chromen-4-one +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F 1V4 6-fluoro-2-phenyl-4h-chromen-4-one +c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F 1V5 n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide +c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N 1V6 4-(4-benzylphenyl)-1,3-thiazol-2-amine +c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4 1V8 2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one +CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1V9 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide +c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VA n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VB 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide +COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VC methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate +C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1VD n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N 1VE (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone +CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3 1VF 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4 1VG 2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC 1VI 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide +CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N 1VJ ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate +c1ccc(cc1)C(=O)c2c(non2)N 1VK (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone +c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O 1VL (3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1VM 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N 1VN 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N 1VO 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1 1VP n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine +Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-] 1VQ 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate +CC(C)[C@@H](CC(=O)O)N 1VR (3r)-3-amino-4-methylpentanoic acid +CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 1VS n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 1VT n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 1VU propionyl coenzyme a +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VV (1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6 1VW 2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VX (1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4 1VZ 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine +c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4 1W0 (3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine +c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N 1W1 2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N 1W2 2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C 1W3 7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F 1W4 s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 1W5 (1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2 1W6 ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C 1W7 n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide +CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O 1W8 ceftaroline +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O 1W9 (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid +c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O 1WA 2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium +COc1cc(cc(c1)C(=O)O)C(=O)O 1WB 5-methoxybenzene-1,3-dicarboxylic acid +Cc1c(cn[nH]1)c2ccccc2Cl 1WC 4-(2-chlorophenyl)-5-methyl-1h-pyrazole +c1cc(c(nc1)C(=O)O)S 1WD 3-sulfanylpyridine-2-carboxylic acid +C[C@@H](Cc1ccccc1)N 1WE (2s)-1-phenylpropan-2-amine +C[C@@H](Cc1ccc(cc1)O)NC 1WF 4-[(2s)-2-(methylamino)propyl]phenol +C1=C(C(=O)C=C(C1=O)O)O 1WG 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione +Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN 1WH 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N 1WJ methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N 1WK methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO 1WL nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO 1WM (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide +C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O 1WN (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide +CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C 1WO (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione +c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl 1WP (3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine +C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl 1WQ (2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one +c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN 1WS n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C 1WT 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one +B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O 1WU 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol +CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O 1WV (2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I 1WW {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F 1WX {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC 1WY n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O 1WZ 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid +C=CCCCC[C@@H](C(=O)O)N 1X0 (2s)-2-aminooct-7-enoic acid +c1ccc2c(c1)CCN(C2)C(=O)O 1X1 3,4-dihydroisoquinoline-2(1h)-carboxylic acid +c1ccc(cc1)CCCCCCN=C=S 1X2 6-isothiocyanatohexylbenzene +c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7 1X3 (2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate +C1C[C@H](O[C@@H]1COP(=O)(O)O)O 1X4 2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose +CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3 1X5 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid +C([C@@H](C(=O)O)N)OC(=O)/C=C/N 1X6 o-[(2e)-3-aminoprop-2-enoyl]-l-serine +c1c2c(c(cnc2N)C(=O)N)sc1Br 1X7 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide +c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N 1X8 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide +C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N 1X9 cerulenin +Cc1c(c(on1)N)c2ccccc2 1XA 3-methyl-4-phenyl-1,2-oxazol-5-amine +Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C 1XB 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide +c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F 1XC 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium +c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F 1XD n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O 1XE [5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N 1XF 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid +C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O 1XG (3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide +C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C 1XH 2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione +CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O 1XI ~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide +CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C 1XJ 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide +C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO 1XL 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol +c1c2c([nH]n1)NC(=S)N=C2N 1XM 4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione +c1ccc2c(c1)c([nH]c2N)N 1XN 2h-isoindole-1,3-diamine +c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3 1XO n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide +COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl 1XP 4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide +c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F 1XQ 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F 1XS 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O 1XT 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl 1XU 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid +c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl 1XV 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide +C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O 1XW (1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid +C[C@@H]1C(=O)C(=C(O1)C)O 1XX (2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one +c1ccc2c(c1)[C@@H](CCO2)N 1XY (4r)-3,4-dihydro-2h-chromen-4-amine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 1Y0 (4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide +CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl 1Y1 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide +C1CC(CCC1[C@@H](C(=O)O)N)(F)F 1Y2 (2s)-amino(4,4-difluorocyclohexyl)ethanoic acid +CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y3 (3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y4 (3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +c1ccc2c(c1)CCC[C@H]2N 1Y5 (1r)-1,2,3,4-tetrahydronaphthalen-1-amine +c1cc(ccc1C(=O)O)F 1Y6 4-fluorobenzoic acid +C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O 1Y7 (2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate +C[As](C)(C)CCO 1Y8 2-(trimethyl-lambda~5~-arsanyl)ethanol +CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C 1Y9 vibralactone, bound form +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O 1YA n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N 1YC 2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 1YD 2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O 1YE (5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O 1YF [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C 1YG (2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 1YH (3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N 1YJ n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O 1YK territrem b +Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C 1YL dihydrotanshinone i +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F 1YM 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid +CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl 1YN 2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +Cc1ccccc1CSc2nncn2N 1YO 3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F 1YP 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea +c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N 1YQ (2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N 1YR (2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YS (1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F 1YT (1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YU (1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N 1YV n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3 1YW n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide +CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C 1YX n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide +C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4 1YY (2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1YZ 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC 1Z0 n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide +CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O 1Z1 n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide +Cc1c(c[nH]n1)c2ccc(cc2)F 1Z6 4-(4-fluorophenyl)-3-methyl-1h-pyrazole +CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC 1Z7 n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide +c1ccc(cc1)c2c[nH]nc2C(F)(F)F 1Z8 4-phenyl-3-(trifluoromethyl)-1h-pyrazole +c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN 1ZB n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide +COc1cccc(c1)C(=O)c2c(non2)N 1ZC (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 1ZD n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O 1ZG n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide +CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O 1ZK 4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium +C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC 1ZN (2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F 1ZQ 5,6-bis(4-fluorophenyl)pyridine-2,3-diol +CC(=O)N[C@@H](CS)C(=O)O 1ZT n-acetyl-l-cysteine +c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N 1ZV amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium +c1cc(ccc1CNC=S)C#N 1ZW n-[(4-cyanophenyl)methyl]methanethioamide +CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 1ZZ 5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 4-chloro-l-phenylalanine +c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N 201 3-amido-5-biphenyl-benzoic acid +OBr(=O)=O 202 bromic acid +c1[nH]c2c(n1)NS(=O)(=O)NC2=O 203 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide +CCOC(=O)c1cnc(nc1O)N 204 2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester +c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl 205 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2 207 1-amino-6-cyclohex-3-enylmethyloxypurine +CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O 208 (2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid +CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C 209 8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione +CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4 20A 1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O 20B 2-(3-hydroxyphenyl)-4h-chromen-4-one +Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O 20C 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F 20D 2-(4-fluorophenyl)-4h-chromen-4-one +C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O 20E (2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one +c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F 20F 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS 20G n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS 20H 1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide +CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl 20J 7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C 20K 2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine +c1ccc(cc1)Oc2ccc(cc2)C[NH3+] 20L (4-phenoxyphenyl)methylazanium +c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5 20M n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide +CC(=O)Nc1ccc(cc1)NC(=O)C2CC2 20N n-[4-(acetylamino)phenyl]cyclopropanecarboxamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4 20O (1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3 20P (1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide +CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl 20Q (3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3 20R n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 20S beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F 20T 1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl 20U (2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O 20V 3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid +CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl 20W (2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F 20X n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3 20Y 4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N 20Z 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C(CN)C(O)(P(=O)(O)O)P(=O)(O)O 210 pamidronate +C(CO)N(CCO)CCO 211 2,2',2''-nitrilotriethanol +C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN 212 alendronate +c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5 213 4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid +Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6 214 6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid +CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5 215 (1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime +C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3 216 [4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone +C=CCC[C@@H](CO)O 217 (2s)-hex-5-ene-1,2-diol +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO 218 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium +c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2 219 cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4 21A 6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol +CNCCC=C1c2ccccc2CCc3c1cccc3 21B nortriptyline +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl 21C n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O 21D naphthalene-1,5-disulfonic acid +CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N 21E 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I 21F n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F 21G (2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +C(O)OCO 21H oxydimethanol +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl 21J n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl 21K n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O 21L methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 21M n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 21N n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O 21O {(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid +C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C 21P 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C 21Q 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl 21R n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl 21S n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5 21T 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 21U d-leucyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 21V n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid +c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4 21W n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3 21X n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl 21Y 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N 21Z 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O 220 undeca-3,7-diene-1,3,7,11-tetracarbaldehyde +c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F 221 (2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide +c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl 222 2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione +c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO 223 (3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol +c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl 224 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole +CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C 225 felodipine +c1c(cc(c2c1c(c(cc2O)O)O)O)O 226 naphthalene-1,2,4,5,7-pentol +CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC 227 6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline +Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5 228 n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O 229 7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO 22A 7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O 22B bacterioruberin +CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 22C 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 22D 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid +CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5 22E 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate +c1cc(ccc1C(=O)c2ccncc2)F 22F (4-fluorophenyl)(pyridin-4-yl)methanone +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N 22G n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine +C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O 22H 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol +c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F 22J (3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid +Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N 22K 5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2csc3c2C(=O)NC=N3 22L 5-phenylthieno[2,3-d]pyrimidin-4(3h)-one +[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N 22M 2-(2-methylphenyl)-1h-indole-6-carboximidamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O 22N (3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 22O n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc(cc1)CC[C@@](CN)(C(=O)O)O 22P (2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid +CC(C)CC1=N/C(=C\S)/C(=O)NC1=O 22Q (3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 22S n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2 22T 7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N 22U d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N 22W 2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one +CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O 22X (3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N 22Y 3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid +CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 22Z 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O 230 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide +c1ccc(cc1)c2c[nH]cn2 231 4-phenyl-1h-imidazole +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC 232 1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane +COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O 233 [5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester +COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O 234 5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid +CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 235 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C 237 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O 238 6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N 239 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide +c1cc(c(c(c1)O)O)C=O 23A 2,3-dihydroxybenzaldehyde +C[C@H]([C@@](C)(C(=O)O)O)O 23B (2s,3r)-2,3-dihydroxy-2-methylbutanoic acid +c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O 23C 2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N 23D n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine +c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7 23E (2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid +c1ccc(cc1)\C=C(\C(=O)O)/N 23F (2z)-2-amino-3-phenylacrylic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N 23G guanosine-5'-phosphate-2',3'-cyclic phosphate +CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3 23H n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2 23I n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +c1ccc(c(c1)C(=O)C(=O)O)S 23J oxo(2-sulfanylphenyl)acetic acid +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F 23K 1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 23L (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N 23M 2-(3-methylphenyl)-1h-indole-5-carboximidamide +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O 23N (2r)-2-benzyl-3-nitropropanoic acid +CCC(=O)NC[C@@H](C(=O)O)N 23P 3-(propanoylamino)-l-alanine +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N 23Q (2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 23R (1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N 23S (s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O 23T 2',3'-dideoxy-thymidine-5'-triphosphate +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N 23U beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 23V n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +COC(=O)C(=C)CO 23W methyl 2-(hydroxymethyl)prop-2-enoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 23X n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide +c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O 23Y (2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1 23Z (2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O 240 (2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O 241 (2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F 242 3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 243 (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O 244 [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile +c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl 245 1-(2-chloropyridin-4-yl)-3-phenylurea +c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl 246 1-benzyl-3-(2-chloropyridin-4-yl)urea +c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O 247 (3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid +CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N 24A {[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid +c1cc(c(cc1F)F)CO 24B (2,4-difluorophenyl)methanol +c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl 24D n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide +c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2 24E 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one +CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O 24F (2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O 24G uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine +c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N 24H {[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid +c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I 24I (2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3 24K trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O 24L 4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid +CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N 24M (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid +CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N 24O (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid +c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3 24P (2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine +CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4 24Q 6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide +Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N 24R n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 24S n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +Cc1csc(n1)N 24T 2-amino-4-methylthiazole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N 24U 1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6 24V 9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine +c1cc2c(c(c1)N)CCNC2 24W 1,2,3,4-tetrahydroisoquinolin-5-amine +[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N 24X 2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid +Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl 24Y 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O 24Z 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid +C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O 250 (2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3 251 n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide +CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 252 (1-hydroxynonane-1,1-diyl)bis(phosphonic acid) +Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N 253 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine +CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 254 6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2 255 n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide +c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O 256 phenyl(sulfo)acetic acid +c1ccc(cc1)OCCCl 258 (2-chloroethoxy)benzene +CSc1ccc(cc1)[N+](=O)[O-] 259 1-(methylsulfanyl)-4-nitrobenzene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N 25A 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine +CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl 25B (1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C 25D 2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine +c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 25E n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br 25F 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5 25G n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide +c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N 25H {2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C 25K n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N 25L [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O 25N (3,5-di-tert-butylphenyl)boronic acid +Cc1cc(n2c(n1)nc(n2)N)c3ccccc3 25O 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine +c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl 25P 4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate +COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N 25Q 2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +Cc1cnc(cn1)C 25R 2,5-dimethylpyrazine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F 25S (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide +Cc1c[nH+]c(s1)N 25T 2-amino-5-methylthiazole +CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3 25U 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C 25V n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N 25W (1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N 25X 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane +B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N 25Y 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N 25Z [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone +c1cc(c(c(c1)F)CBr)F 260 2-(bromomethyl)-1,3-difluorobenzene +CCOc1ccccc1O 261 2-ethoxyphenol +c1ccc(c(c1)C=O)OP(=O)(O)O 262 2-formylphenyl dihydrogen phosphate +Cc1cccc(c1)CN=[N+]=[N-] 263 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)NCC#N 264 (phenylamino)acetonitrile +c1cc(sc1)[N+](=O)[O-] 265 2-nitrothiophene +CCCSCCO 266 2-(propylsulfanyl)ethanol +Cc1cccc(c1)CN=[N+]=[N-] 267 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)OCCO 268 2-phenoxyethanol +c1ccc(cc1)[C@@H](CCCl)O 269 (1r)-3-chloro-1-phenylpropan-1-ol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 26A 6n-dimethyladenosine +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C 26B o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine +c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F 26C 2',6'-difluorobiphenyl-4-carboxylic acid +c1cc(nc(c1)N)N 26D pyridine-2,6-diamine +B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N 26E 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC 26F (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1ncc(c(n1)N)Cc2cccc(c2)CCO 26G 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F 26J 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form +CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3 26K n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine +c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N 26L (1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine +c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26M n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F 26N nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 26O n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O 26P 2-amino-6-oxopimelic acid +c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26Q n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine +C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26R n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine +CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC 26S (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide +CC(=O)[C@H](C(=O)COP(=O)(O)O)O 26T (3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N 26U n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide +c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2 26V n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine +CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26W n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26Y n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine +c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 26Z 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C1=CC2=NC(N=C2C=C1)N 270 2h-benzoimidazol-2-ylamine +CNCc1ccccc1 271 n-methyl-1-phenylmethanamine +c1cc2c(cc1O)onc2c3ccc(cc3O)O 272 4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol +[H]/N=C(\C1CCCC1)/N 273 cyclopentanecarboximidamide +Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl 274 (3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide +Cc1ccc(c[n+]1C)N 275 5-amino-1,2-dimethylpyridinium +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl 276 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide +C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N 277 n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide +Cn1cccc1CN 278 1-(1-methyl-1h-pyrrol-2-yl)methanamine +CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC 279 n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N 27A (z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide +c1ccc2c(c1)ccc(c2Br)C(=O)O 27B 1-bromonaphthalene-2-carboxylic acid +CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O 27C 5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose +Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C 27D 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone +C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl 27E chlordecone +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N 27F 4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile +CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 27G benzyl butyl benzene-1,2-dicarboxylate +CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C 27H ferutinine +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N 27I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide +C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O 27J alpha-zearalanol +CCCCOC(=O)c1ccc(cc1)O 27K butyl 4-hydroxybenzoate +CC(C)(C)CC(C)(C)c1ccc(cc1)O 27L 4-(2,4,4-trimethylpentan-2-yl)phenol +c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O 27M bis(2,4-dihydroxyphenyl)methanone +c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O 27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol +C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O 27O (2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid +c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3 27P 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 27Q n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O 27R [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid +CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O 27S (5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N 27U n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide +[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O 27V (2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid +CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O 27W (3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol +CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N 27X ammosamide 272 +C1=C(C(=O)NC=C1Br)O 27Y 5-bromo-3-hydroxypyridin-2(1h)-one +c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N 27Z 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +Cn1cncc1C=O 280 1-methyl-1h-imidazole-5-carbaldehyde +CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 281 (2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +COc1cccnc1 282 3-methoxypyridine +CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S 283 (3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol +C[C@H]1CCNC(=C1)N 284 (4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine +CC1[C@H](O[C@@H](N1)C)C 285 (2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine +C[n+]1ccccc1C=C 286 2-ethenyl-1-methylpyridinium +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC 287 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O 288 5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O 289 d-glycero-alpha-d-manno-heptopyranose +COc1cccc(c1)C2=NC(=O)C(=CC2)O 28A 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one +c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N 28B 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O 28C 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol +COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4 28D (2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O 28E (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4 28F 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea +C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4 28G 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea +C[C@H]([C@@H](C(C)C)O)C(=O)O 28H (2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N 28I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide +CC[C@H](C)[C@H](C(=O)O)N 28J d-alloisoleucine +C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O 28K (2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC 28L n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O 28M n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide +c1cc2c(cc1Br)N3C(=NOC3=O)CO2 28N 8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one +CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O 28O 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one +C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O 28P n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine +CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O 28Q n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide +CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O 28R n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide +C=CCNc1c2cc(ccc2ncn1)Br 28S 6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine +C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O 28T 1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline +CC(=CCCC(=CCC[C@](C)(C=C)O)C)C 28U (3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol +CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O 28V n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3 28W 3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O 28X o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine +c1cn-2c(n1)NC(=O)c3c2nc[nH]3 28Y 3h-imidazo[2,1-b]purin-4(5h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 28Z n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid +CC1=NC(=O)Nc2c1nc[nH]2 290 6-methyl-3,9-dihydro-2h-purin-2-one +C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O 291 prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside +c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4 292 n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O 293 2-deoxy-beta-l-galacto-heptopyranose +c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO 294 n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F 295 (2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid +COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N 296 (3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid +C(CCCCCCN)CCCCCN 297 dodecane-1,12-diamine +C\C=C\C=NCCCC/N=C/C=C\C 298 n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine +Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O 299 2,6-diformyl-4-methylphenyl dihydrogen phosphate +Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO 29A 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccncc3)F 29B 4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29C n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3 29E (3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine +CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 29F 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one +c1c2c(nc(nc2ncn1)N)N 29G pyrimido[4,5-d]pyrimidine-2,4-diamine +c1c2c(ncn1)N=C(NC2=O)N 29H 2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one +CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O 29J 4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol +CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN 29K (7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O 29L 2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol +CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F 29M n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide +CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC 29N 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one +c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr 29O n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide) +Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 29P 3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O 29Q (5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol +Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O 29R 2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine +Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O 29S bazedoxifene +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N 29T 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N 29U 1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2 29V (3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid +Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 29W (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F 29X 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5 29Y (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5 29Z (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N 2A0 n-[(2s)-2-aminohexyl]-l-norleucine +C[C@@H](CO)N 2A1 (2s)-2-aminopropan-1-ol +c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS 2A2 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol +C[C@H](CO)N 2A3 (2r)-2-aminopropan-1-ol +CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C 2A4 (2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N 2A5 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate) +c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 2A6 2-anilino-6-cyclohexylmethoxypurine +COc1cc(cc(c1)O)O 2A7 5-methoxy-benzene-1,3-diol +c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N 2A8 2-amino-phenylamino-dibenzosuberone +COc1ccc(cc1O)CO 2A9 5-(hydroxymethyl)-2-methoxyphenol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O 2AA 5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt +c1cc(ccc1CCN)[S@@](=O)O 2AB 4-(2-aminoethyl)benzenesulfonic acid +Cc1ccc(c(c1)N)O 2AC 2-amino-p-cresol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N 2AD 2'-amino-2'-deoxyadenosine +c1ccc(c(c1)C(=O)N)N 2AE 2-amino-benzamide +c1ccc(c(c1)N)O 2AF 2-aminophenol +C=CC[C@@H](C(=O)O)N 2AG (2s)-2-aminopent-4-enoic acid +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 2AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cnc([nH]1)N 2AI 1h-imidazol-2-amine +C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AJ [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +Cc1cc2c(c(c1)Br)NC(=O)C2=O 2AK 7-bromo-5-methyl-1h-indole-2,3-dione +C1(=O)C(=NC(=O)N1)NC(=O)N 2AL 1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N 2AM adenosine-2'-monophosphate +c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O 2AN 8-anilino-1-naphthalene sulfonate +CCCC[C@@H](CO)N 2AO (2s)-2-aminohexan-1-ol +c1cc[nH+]c(c1)N 2AP 2-aminopyridine +c1ccc2c(c1)ccc(n2)N 2AQ quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N 2AR 2'-deoxyaristeromycin-5'-phosphate +C[C@H]([C]O)[C@@H](C(=O)(=O)O)N 2AS (2s,3s)-3-methyl-aspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C 2AT 2'-o-allyl thymidine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N 2AU 2'-aminouridine +C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AV [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O 2AW 6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid +C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O 2AX (3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid +CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O 2AY n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl 2AZ n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide +Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O 2B0 [2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O 2B1 (4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B2 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B3 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +c1cc(ccc1OC(C(=O)O)C(=O)O)Br 2B4 2-(4-bromanylphenoxy)propanedioic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3 2B5 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O 2B6 (4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3 2B7 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea +CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O 2B8 (5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid +CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O 2B9 [(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N 2BA (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C 2BB (2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br 2BC n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide +C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O 2BD n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl 2BE 4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O 2BF alpha-benzyl-aminobenzyl-phosphonic acid +c1ccc2c(c1)nc(s2)CN 2BG 1-(1,3-benzothiazol-2-yl)methanamine +[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O 2BH [(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-) +Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl 2BI 2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide +Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-] 2BJ 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O 2BK n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine +CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O 2BL (3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid +C(Br)Br 2BM dibromomethane +CC1([C@@H]2CC[C@]1(NC2)C)C 2BN (1r,4s)-2-azabornane +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O 2BO n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine +c1c2c([nH]cn2)nc(n1)N 2BP 9h-purin-2-amine +c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl 2BQ 2-hydroxysaclofen +c1ccc(c(c1)O)Br 2BR 2-bromophenol +CCOC(=O)c1ccc2c(c1)sc(n2)N 2BS ethyl 2-amino-1,3-benzothiazole-6-carboxylate +CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O 2BT 2'-o-butyl-thymidine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O 2BU (2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O 2BV (r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid +CCOC(OCC)P(=O)(CCCN)O 2BW (s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid +CC1(CO[C@H](CN1)CC(=O)O)C 2BX [(2s)-5,5-dimethylmorpholin-2-yl]acetic acid +c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl 2BY phaclofen +Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl 2BZ 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine +c1cc(ccc1[C@@H](CC(=O)O)CN)Cl 2C0 baclofen +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br 2C1 n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O 2C2 (2s)-2-hydroxy-2h-chromene-2-carboxylic acid +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl 2C3 n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC 2C4 methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate +Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl 2C5 2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile +c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4 2C6 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide +c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3 2C7 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4 2C8 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide +Cc1cccc(c1N)N 2C9 3-methylbenzene-1,2-diamine +CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3 2CA benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C 2CB 6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide +c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl 2CC 3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid +CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl 2CD 3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl 2CE n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C 2CF (2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N 2CG (1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid +c1ccc(c(c1)O)Cl 2CH 2-chlorophenol +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O 2CJ (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid +c1ccc2c(c1)CCNC2 2CK 1,2,3,4-tetrahydroisoquinoline +c1cc(c(c(c1)Cl)CC(=O)O)Cl 2CL (2,6-dichlorophenyl)acetic acid +Cc1cccc(c1N)Cl 2CM 2-chloro-6-methyl-aniline +CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br 2CN 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid +C([C@@H](C(=O)O)N)SOO 2CO s-hydroperoxycysteine +C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O 2CP 2-carboxypropyl-coenzyme a +Cc1cc(c(cc1Cl)N)N 2CQ 4-chloro-5-methylbenzene-1,2-diamine +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C 2CR (1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid +CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4 2CS 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC 2CT (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N 2CU 3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide +CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O 2CV hega-10 +C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O 2CW 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide +CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O 2CX n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide +c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N 2CY 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine +CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 2CZ n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1cc2c(c(c1)Cl)nc(s2)N 2D0 4-chloro-1,3-benzothiazol-2-amine +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C 2D1 n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide +Cc1c(cc(o1)c2ccccc2)C(=O)O 2D2 2-methyl-5-phenylfuran-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccno2)C(=O)OC 2D3 methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O 2D4 n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide +c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 2D5 5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine +c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N 2D6 n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide +CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl 2D7 n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide +C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O 2D8 (2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl 2D9 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N 2DA 2',3'-dideoxyadenosine-5'-monophosphate +[B-](O)(O)(O)OC[C@H](CO)O 2DB (s)-(2,3-dihydroxypropoxy)trihydroxyborate +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O 2DC (3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol +c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N 2DD 3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide +CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C 2DE (2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O 2DF n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide +C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2DG 2-deoxy-alpha-d-galactopyranose +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F 2DH [5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O 2DI 9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DJ (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3 2DK {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CCN(CC)C(=O)c1ccc(c(c1)OC)O 2DL 2-methyl-4-diethylamide-phenol +c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O 2DM 2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DN [2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid +CCCC[C@@H](C(O)O)N 2DO (2s)-2-aminohexane-1,1-diol +CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2DP 3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol +COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DQ (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR 2-deoxy-beta-d-erythro-pentofuranose +c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 2DS n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O 2DT 3'-deoxythymidine-5'-monophosphate +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3 2DU {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F 2DV [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3 2DW {5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 2DX (3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 2DY (3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F 2DZ [5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3 2E1 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O 2E2 1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 2E3 (2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid +c1cc(cnc1)COP(=O)(O)OP(=O)(O)O 2E4 pyridin-3-ylmethyl trihydrogen diphosphate +c1cnccc1COP(=O)(O)OP(=O)(O)O 2E5 pyridin-4-ylmethyl trihydrogen diphosphate +c1ccnc(c1)COP(=O)(O)OP(=O)(O)O 2E6 pyridin-2-ylmethyl trihydrogen diphosphate +c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl 2E7 (6-chloropyridin-3-yl)methyl trihydrogen diphosphate +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N 2E8 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl 2E9 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N 2EA (1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine +c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl 2EB 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCn1cnc2c1ncnc2N 2EC 9-ethyl-9h-purin-6-ylamine +CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O 2ED n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide +C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl 2EE 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2 2EF 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 2EG 2'-deoxy-n-ethylguanosine 5'-phosphate +CCCC[C@H](CC)CO 2EH (2s)-2-ethylhexan-1-ol +C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2 2EJ 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea +c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl 2EK 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO 2EL (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol +Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3 2EM 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl 2EN 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5 2EO 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide +CC[C@H]1CCCCN1 2EP 2-ethylpiperidine +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4 2EQ 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N 2ER [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O 2ET n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine +c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O 2EU 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl 2EV (3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 2EW (3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N 2EX (4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4 2EY 4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one +CCc1[nH]ccn1 2EZ 2-ethylimidazole +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl 2F0 2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br 2F1 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +COC 2F2 dimethyl ether +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl 2F3 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F 2F4 2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 2F5 1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone +Cc1c(cn(n1)C)c2cc[nH]n2 2F6 1',3'-dimethyl-1h,1'h-3,4'-bipyrazole +CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F7 n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 2F8 methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F9 n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N 2FA 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5 2FB (6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine +CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4 2FC n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N 2FD 5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 2FE 2'-fluoro-2'-deoxy-1,n6-ethenoadenine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 2FF (5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O 2FG 2-deoxy-2-fluoro-beta-d-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C 2FH 2-phenylheme +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O 2FI 2'-fluoro-2'-deoxyinosine +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1 2FJ tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer +[O-]=O 2FK superoxo ion +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O 2FL 2-fluoro-2-deoxy-lactose +C(CSC(F)F)[C@@H](C(=O)O)N 2FM s-(difluoromethyl)homocysteine +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 2FN n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +C(=CO)C=C(C(=N)C(=O)O)C(=O)O 2FO (2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid +C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O 2FP 1,6-fructose diphosphate (linear form) +Cc1ncc2c(n1)N(C(=O)C(=C2)N)C 2FQ 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4 2FR 3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide +c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 2FS (1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(CC(C(=O)O)(F)F)C(=O)O 2FT 2,2-difluoropentanedioic acid +C(=CC=O)C=O 2FU but-2-enedial +c1ccc2c(c1)cc(s2)CC(=O)O 2FX 1-benzothiophen-2-ylacetic acid +CCC(=O)c1ccc(cc1O)O 2FY 1-(2,4-dihydroxy-phenyl)-propan-1-one +CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5 2FZ (3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O 2G0 (2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F 2G1 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide +C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N 2G2 l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(C)(C)CCN 2G3 3,3-dimethylbutan-1-amine +c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2G4 n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid +c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2G5 n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G6 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G7 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G8 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid +CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G9 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC 2GA 2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole +c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GB n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O 2GC p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid +CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl 2GD 6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine +c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 2GE n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine +C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl 2GF [(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 2GG 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 2GH n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4 2GJ 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O 2GK (2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C 2GL 4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C 2GM dihydroergotamine +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6 2GN n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide +CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C 2GO [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N 2GP guanosine-2'-monophosphate +c1ccc2c(c1)C=C(NC2=O)N3CCCC3 2GQ 3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one +c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GR n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid +CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2GS 2-o-methyl-alpha-d-galactopyranose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C 2GT 2'-o-propargyl thymidine-5'-monophosphate +CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C 2GU 5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GV (4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 2GW 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate +c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N 2GX beta-phenyl-l-phenylalanine +CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GY (4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2GZ p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid +CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2H0 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N 2H1 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F 2H2 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide +C1(C(C(C(C(C1O)O)O)O)O)O 2H3 (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol +c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O 2H4 (1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O 2H5 3-deoxy-3-fluoro-beta-d-galactopyranose +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F 2H7 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O 2H8 (3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2H9 n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +C(C(=O)CO)O 2HA dihydroxyacetone +c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5 2HB n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide +c1ccc(c(c1)\C=C\C(=O)O)O 2HC (2e)-3-(2-hydroxyphenyl)acrylic acid +CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC 2HD (2r)-2,3-dibutoxypropyl (r)-octylphosphinate +C(CP(=O)(O)O)O 2HE (2-hydroxyethyl)phosphonic acid +c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N 2HF 2-fluoro-l-histidine +C(CC(=O)O)[C@H](C(=O)O)O 2HG (2r)-2-hydroxypentanedioic acid +Cn1c(ccn1)C(=O)Nc2cccnc2 2HH 1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide +c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O 2HI (2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3 2HJ 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide +COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O 2HK 4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol +c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5 2HL 1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide +CC(C)C[C@H](CC(=O)NO)C(=O)O 2HM (2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid +C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 2HN (1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1cc(c(cc1C(=O)N)F)F 2HO 3,4-difluorobenzamide +OP(=O)(O)[O-] 2HP dihydrogenphosphate ion +c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ 5-chloro-1h-indole-2,3-dione +CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1 2HR hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester +CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1 2HS hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester +Cc1cccc(c1)C#N 2HT 3-methylbenzonitrile +c1cc2c(cc[nH]2)cc1[N+](=O)[O-] 2HU 5-nitro-1h-indole +CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3 2HV 2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N 2HW 3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide +C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 2HX n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO 2HY 2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O 2HZ (2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N 2IA 2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate) +Cc1ccccc1I 2IB 2-iodobenzyl group +CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl 2IC 5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid +CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O 2ID [(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IE 2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br 2IF ~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC 2IG 6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine +c1cn(cn1)CCCCCCn2ccnc2 2IH 1,1'-hexane-1,6-diylbis(1h-imidazole) +[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IJ 5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N 2IK 6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine +CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC 2IL (3r)-3-(dodecanoyloxy)tetradecanoic acid +C1CCNC(=N)C1 2IM piperidin-2-imine +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N 2IN n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide +CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C 2IO (3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione +[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O 2IP d-myo-inositol-1,4-bisphosphate +Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C 2IR n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine +[H]/N=C(/CCC(=O)O)\C(=O)O 2IT (2z)-2-iminopentanedioic acid +Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 2IW 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide +CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C 2IX n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide +Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 2J0 (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3 2J1 6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O 2J2 (1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O 2J3 (2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O 2J4 (3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1cccnc1NCc2ccccc2O 2J5 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol +c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3 2J6 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol +c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O 2J7 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol +CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 2J8 (4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3 2J9 4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO 2JA [(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid +CCNCC(=O)O 2JC n-ethylglycine +CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O 2JD (2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid +c1c(nc[nH]1)C(=O)SCCN 2JE s-(2-aminoethyl) 1h-imidazole-4-carbothioate +CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O 2JF (2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate +CCCCCC(=O)OC[C@@H](C=O)N 2JG (2s)-2-amino-3-oxopropyl hexanoate +C1CC(C1)C[C@@H](C(=O)O)N 2JH 3-cyclobutyl-l-alanine +CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O 2JI (5-ethyl-2-methyl-1h-indol-3-yl)acetic acid +C(C[C@H](C(=O)O)N)CP(=O)(O)O 2JJ 5-phosphono-d-norvaline +Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C 2JK 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O 2JL (2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid +c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br 2JM 2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CCCC[C@](C)(C(=O)O)N 2JN 2-methyl-d-norleucine +c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O 2JP 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid +Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F 2JQ 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid +c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5 2JR 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO 2JT 1,3-dihydroxypropan-2-yl octadecanoate +c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 2JU 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5 2JV n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O 2JW 1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3 2JX 5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O 2JY 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid +COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F 2JZ n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine +c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl 2K0 [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone +Cc1ccc(o1)C(=O)O 2K1 5-methylfuran-2-carboxylic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC 2K2 pkc412 +CC(C)CC(=O)CC(=O)O 2K3 3-oxo-5-methylhexanoic acid +c1cc2cn[nH]c2cc1O 2K4 1h-indazol-6-ol +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC 2K5 n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC 2K6 (3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile +Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC 2K7 n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O 2K8 (6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid +c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5 2K9 9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one +c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O 2KA 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C 2KB 4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile +CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N 2KC 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol +COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O 2KD 6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N 2KE (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N 2KF (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide +CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C 2KG (4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O 2KH 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC 2KJ n~5~-(n-ethoxycarbamimidoyl)-l-ornithine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F 2KK n~6~-(4-fluorobenzoyl)-l-lysine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4 2KL 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC 2KN n,n',n''-triethylbenzene-1,3,5-tricarboxamide +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC 2KO 2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br 2KP n~6~-(4-bromobenzoyl)-l-lysine +C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2KQ (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid +Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC 2KR n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine +c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3 2KS 1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine +CCC(=O)C(=O)O 2KT 2-ketobutyric acid +COCCCNc1c2c([nH]cn2)ncn1 2KU n-(3-methoxypropyl)-9h-purin-6-amine +c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN 2KV 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one +CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F 2KW 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile +c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O 2KX (1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate +C1CCC(C1)[C@@H](C(=O)O)N 2KY (2s)-amino(cyclopentyl)ethanoic acid +C(=C(\C(=O)O)/N)\C(=O)O 2KZ 2-amino maleic acid +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O 2L0 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide +Cc1c([nH]cn1)CN2CCc3ccccc3C2 2L1 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline +Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N 2L2 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2L3 (2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O 2L4 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 2-chloro-l-phenylalanine +C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1 2L6 (3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid +CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br 2L7 4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O 2L8 [(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O 2L9 (3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN 2LA 2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2LB (2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4 2LC 2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +c1ccc(cc1)CCC2=CNC(=O)C(=C2)O 2LD 3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one +CCCCC[C@H]1CC[C@@H](O1)O 2LE (2r,5s)-5-pentyltetrahydrofuran-2-ol +C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O 2LF (6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl 2LG 2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O 2LI n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O 2LJ 1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl 2LK 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 2LL 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O 2LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid +CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1 2LN 1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC 2LO 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole +C=CCc1ccccc1O 2LP 2-allylphenol +c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2 2LQ 4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LR n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N 2LS (1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol +c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N 2LT 3,5-dichloro-l-tyrosine +CC(C)C[C@@H](C)N 2LU 2-amino-4-methyl-pentanyl group +CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LV n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide +CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1 2LW 1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone +CNC(=O)c1ccccc1OC2CCOCC2 2LX n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide +CNC(=O)c1c2c(cs1)OCCO2 2LY n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide +c1cc2c(cc1F)c(c[nH]2)CC(=O)O 2LZ (5-fluoro-1h-indol-3-yl)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)N 2M0 (3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2M1 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4 2M2 n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine +Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5 2M3 2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 2M4 2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O 2M5 methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside +C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O 2M7 (2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 2M8 (2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid +COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 2M9 8-methoxypyrene-1,3,6-trisulfonic acid +CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1 2MA 2-methyladenosine-5'-monophosphate +CC=C(C)C 2MB 2-methyl but-2-ene +CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2MC methacrylyl-coenzyme a +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N 2MD guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +CCOC 2ME methoxyethane +CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 2MG 2n-methylguanosine-5'-monophosphate +CC1CCC(CC1)N 2MH cis-4-methylcyclohexanamine +Cc1cc2ccccc2[nH]1 2MI 2-methyl-1h-indole +CC(C)C[C@@H]([C@H](CO)O)N 2MJ (2r,3s)-3-amino-5-methylhexane-1,2-diol +CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2MK n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide +CC(C)C[C@@](C)(C(=O)O)N 2ML 2-methylleucine +CN(C)[C@@H](CCSC)C(=O)O 2MM n,n-dimethyl-l-methionine +Cc1ncc(n1CCO)[N+](=O)[O-] 2MN metronidazole +O=[Mo]=O 2MO molybdenum (iv)oxide +Cc1ccc(cc1C)O 2MP 3,4-dimethylphenol +CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N 2MQ 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN/C(=N/C)/NCCC[C@@H](C(=O)O)N 2MR n3, n4-dimethylarginine +CC1(N[C@@H](CS1)C(=O)O)C 2MT (4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 2MU 2',5-dimethyluridine-5'-monophosphate +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 2MV (1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O 2MX (2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name) +Cc1cccc(c1O)C 2MY 2,6-dimethylphenol +Cc1[nH]ccn1 2MZ 2-methylimidazole +CCc1cc2c(n1Cc3ccccc3)CCCC2=O 2N0 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one +c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O 2N2 2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid +CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F 2N5 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide +Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N 2N6 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC 2N7 (1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide +CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3 2N8 (2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide +CCOC(=O)c1cnc2ccccc2c1N 2N9 ethyl 4-aminoquinoline-3-carboxylate +c1ccc2cc(ccc2c1)CO 2NA naphthalen-2-ylmethanol +c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N 2NB 3-nitroquinolin-4-amine +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 2NC n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O 2ND 2'-deoxyinosine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O 2NE salicylyl coa +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N 2NF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate +Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O 2NG 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C 2NH n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine +CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO 2NI n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea +CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3 2NJ (4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F 2NK 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol +CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl 2NL 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide +COc1cccc(c1)c2cc([nH]n2)C(F)(F)F 2NM 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole +N(=O)[O] 2NO nitrogen dioxide +C=C(CCC[C@@H](C(=O)O)N)C(=O)O 2NP l-2-amino-6-methylene-pimelic acid +c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5 2NQ n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide +COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F 2NR 7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5 2NS 7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO 2NT 2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate +CN(C1CC1)C(=O)Cn2cc(cn2)Br 2NU 2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide +CCOCCOCCOCCOCCOC[C@@H](C)N 2NV 3,6,9,12,15-pentaoxaoctadecan-17-amine +c1ccc2c(c1)c(c(cn2)Br)N 2NW 3-bromoquinolin-4-amine +COP(=O)(NC(=O)c1ccccc1)OC 2NX dimethyl benzoylphosphoramidate +CCN(CC)c1nc2ccccc2c(n1)N 2NY n~2~,n~2~-diethylquinazoline-2,4-diamine +CC(=O)Cn1cnc2c1cccc2 2NZ 1-(1h-benzimidazol-1-yl)propan-2-one +c1ccc2c(c1)ncn2CCC(=O)N 2O0 3-(1h-benzimidazol-1-yl)propanamide +c1ccc2c(c1)c3c(cn2)C(=O)CCN3 2O1 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O 2O2 1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4 2O3 (3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC 2O4 (3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4 2O5 (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid +c1cc2c(cc1C(F)(F)F)c(no2)N 2O6 5-(trifluoromethyl)-1,2-benzoxazol-3-amine +c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N 2O7 7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile +c1cc(ccc1C(=O)N)SC(F)(F)F 2O8 4-[(trifluoromethyl)sulfanyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 2OA 2'deoxyadenosine-5'-triphosphate +CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C 2OB cholesteryl oleate +COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N 2OD 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine +Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O 2OE 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol +[OH2][Fe+2][OH2] 2OF ferrous ion, 2 waters coordinated +C(CC(=O)O)C(=O)C(=O)O 2OG 2-oxo-glutaric acid +CC(C)(c1ccc(cc1)O)c2ccc(cc2)O 2OH 4,4'-propane-2,2-diyldiphenol +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 2OJ n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC 2OK 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine +COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O 2OL 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol +C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O 2OM 5,6-dihydroorotidine 5'-monophosphate +c1[nH]c2c(n1)C(=O)NC(=N2)S 2ON 2-sulfanyl-1,9-dihydro-6h-purin-6-one +CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O 2OO 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol +C[C@@H](C(=O)O)O 2OP (2s)-2-hydroxypropanoic acid +Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O 2OQ 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol +C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N 2OR amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O 2OS 3-n-octanoylsucrose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C 2OT 2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 2OU (2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O 2OV (1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC 2OW methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O 2OX (2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O 2OY n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form) +c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F 2OZ (2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O 2P0 1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F 2P1 n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O 2P2 1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one +c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3 2P3 5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P4 (5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4 2P5 4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide +c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N 2P6 (2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O 2P7 [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone +c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P8 (2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 2P9 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +NP(=O)(N)O 2PA diamidophosphate +c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-] 2PB 2-[(dioxidophosphino)oxy]benzoate +C1CC(=[NH+]C1)C(=O)[O-] 2PC 3,4-dihydro-2h-pyrrolium-5-carboxylate +CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC 2PD 5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCO)O 2PE nonaethylene glycol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O 2PF [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate +C([C@H](C(=O)O)OP(=O)(O)O)O 2PG 2-phosphoglyceric acid +C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O 2PH [7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate +CCC[C@@H](C(=O)O)N 2PI 2-amino-pentanoic acid +CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F 2PJ tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1 2PK (5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one +C(C(=O)O)OP(=O)(O)O 2PL phosphoglycolic acid +CN(C)CCOC(c1ccccc1)c2ccccc2 2PM n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine +N(P(=O)(O)O)P(=O)(O)O 2PN imidodiphosphoric acid +[O-]P(=O)[O-] 2PO phosphonate +CCCC(CCC)C(=O)O 2PP 2-propyl-pentanoic acid +CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5 2PQ 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 2PR 2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N 2PS phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate +CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4 2PT 1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine +c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O 2PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1 2PV (5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one +CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S 2PW (5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N 2PX n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2 2PY (2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN 2PZ n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide +CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S 2Q0 (5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one +C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O 2Q2 l-galactonic acid +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O 2Q4 n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide +C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O 2Q5 (2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2Q6 methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate +C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N 2Q7 n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide +CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C 2Q8 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide +CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C 2Q9 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4 2QA 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +Cc1ncc(c(n1)N)CN=[N+]=[N-] 2QB 5-(azidomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1CN)c2csnn2 2QC 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine +CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QD (4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid +COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QE (2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid +c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2QF n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide +c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl 2QG 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine +Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F 2QH (8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O 2QJ (2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C 2QK n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O 2QL (11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O 2QM n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I 2QN n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O 2QO (2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid +c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O 2QP n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O 2QQ n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O 2QR (2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I 2QS (2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name) +c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N 2QT n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide +c1cc(nc2c1ncnc2N)c3ccnc(c3)F 2QU 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine +c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N 2QV 6-(3-chlorophenyl)quinazolin-4-amine +Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N 2QW (2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2QX methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +CN/C(=C\c1ccc(cc1)O)/C(=O)O 2QY (2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid +C[C@H]([C@@H](C(=O)O)N(C)C)O 2QZ n,n-dimethyl-l-threonine +C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO 2R1 (2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid +Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F 2R2 [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone +COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O 2R3 (betar)-beta-hydroxy-o-methyl-l-tyrosine +c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 2R4 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4 2R5 n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4 2R6 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I 2R7 n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C 2R8 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C 2R9 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +C([C@H](C(=O)O)N)N 2RA 3-amino-d-alanine +COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 2RB n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide +CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C 2RC [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate +CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O 2RD 5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O 2RE 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O 2RF 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 2RG (2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)C[C@H](C(=O)O)O 2RH (2r)-2-hydroxy-4-methylpentanoic acid +C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O 2RI (2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide +Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RJ 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine +C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 2RK 4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl 2RL n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide +c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2RM n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O 2RN 3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol +CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O 2RO 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCC[C@@H](C)O 2RP (2r)-pentan-2-ol +COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RQ 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine +c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N 2RR 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile +Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C 2RS 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C 2RT 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F 2RU 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea +CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F 2RV 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N 2RW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C([C@@H](C(=O)O)N)OP(=O)(O)S 2RX o-thiophosphono-l-serine +c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F 2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone +[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC 2RZ n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide +CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C 2S0 [(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate +COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O 2S1 2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide +CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S2 (2s)-2-(1h-indol-3-yl)hexanoic acid +CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S3 (2s)-2-(1h-indol-3-yl)pentanoic acid +[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC 2S4 2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S6 4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S7 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile +CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S8 (2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid +c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S9 4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O 2SA 2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid +c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N 2SB (2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide +c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4 2SC (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O 2SE 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N 2SF 4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N 2SG guanosine phosphorodithioate +c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F 2SH n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O 2SI 2-o-sulfo-a-l-iduronic acid +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC 2SJ n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2 2SK (1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol +CCC[C@H](C)O 2SL (2s)-pentan-2-ol +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 2SM methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N 2SN 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine +c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O 2SO 3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 2SP (1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate +Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C 2SQ (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid +Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC 2SR (2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol +C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 2SS (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C 2ST 5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N 2SU alpha-(fluoromethyl)-d-tryptophan +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2SW [(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid +c1cc2c(cc1Br)c(c[nH]2)CC(=O)O 2SX (5-bromo-1h-indol-3-yl)acetic acid +c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O 2SY [1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid +CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO 2SZ 6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide +c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2 2T0 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate +c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F 2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid +C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O 2T2 [1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid +c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O 2T3 (2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2 2T4 {[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2 2T5 [(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid +c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O 2T6 {[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-] 2T7 [1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl 2T8 carbonyl(tetrachloro)oxidoiridium +COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-] 2T9 [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 2TA n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+] 2TB 1,3-diamino-4,5,6-trihydroxy-cyclohexane +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C 2TC (4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile +CC(=O)CCCCCCCCCC=C 2TD tridec-12-en-2-one +CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2TE (2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol +CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N 2TF (2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N 2TG 5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine +c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl 2TH 2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C 2TI (2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N 2TJ 4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br 2TK 2-(2-bromophenoxy)-5-hexylphenol +C[C@H]([C@H](C(=O)O)N)O 2TL d-allothreonine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O 2TM 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +CC(C)NCC(COc1ccc(cc1)CC(=O)N)O 2TN 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide +c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O 2TO 2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol +Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O 2TP 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate +C1C[C@H](N2[C@@H]1CC2=O)C(=O)O 2TQ (2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N 2TR 6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 2TS (2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide +c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 2TT 2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 2TU 1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O 2TV (2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl 2TW [(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C 2TX (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane +c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N 2TY 2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2TZ [(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O 2U0 (2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid +C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U1 6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O 2U2 (2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid +CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O 2U3 (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O 2U4 (4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O 2U5 6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid +C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U6 6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2U7 [(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O 2U8 mavoglurant +Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3 2U9 n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N 2UA (3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one +c1cc(ccc1/C=C(\C(=O)O)/S)Cl 2UB (z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid +[H]/N=C(\N)/NCc1cccc(c1)CC=O 2UC 1-[3-(2-oxoethyl)benzyl]guanidine +c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O 2UD 3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid +[H]/N=C(/N)\NCc1ccc(cc1)CC=O 2UE 1-[4-(2-oxoethyl)benzyl]guanidine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O 2UF l-gulonate +c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N 2UG 4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine +CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1 2UH n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) +C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2UI (3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1 2UJ n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1 2UK 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O 2UL 3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid +COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC 2UN {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O 2UO mevastatin, compactin +[H]/N=C(\c1ccc2ccccc2c1)/N 2UP naphthalene-2-carboximidamide +[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2 2UQ n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide +C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F 2UR (2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O 2US (2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O 2UT (2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O 2UU 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid +CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O 2UV 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid +C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O 2UW (2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2UX (2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O 2UY (2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol +C1C=C(NC(S1)C(C(=O)O)N)C(=O)O 2UZ (2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O 2V0 (2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6 2V1 4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide +Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C 2V2 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea +CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 2V3 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O 2V4 rabelomycin +[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 2V5 n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F 2V6 n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O 2V7 (1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol +Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O 2V8 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O 2V9 lestaurtinib +CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 2VA 2'-(l-valyl)amino-2'-deoxyadenosine +[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C 2VC n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VD (2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O 2VE (2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O 2VF (2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O 2VG (2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N 2VH (2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O 2VJ 2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid +c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2VK 4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C 2VL n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VM (2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 2VN 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 2VO phytochromobilin, bound form +Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VP (2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-] 2VQ n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide +Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VR (2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +C(=C/C=O)\C=C(\C(=O)O)/O 2VS (2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N 2VT n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide +c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VU n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VV n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VW n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F 2VX n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +Cc1c(csc1C=O)Cc2cnc(nc2N)C 2VY 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde +Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2VZ (2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2W0 (2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5 2W1 1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O 2W2 n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O 2W3 2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide +c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6 2W4 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC 2W5 (1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide +CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C 2W6 n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S 2W7 n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O 2W8 3-(3'-nitrobiphenyl-3-yl)propanoic acid +c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O 2W9 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid +CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O 2WA (1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol +c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] 2WB {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid +Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 2WC 3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid +CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O 2WD (1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol +COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WE 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4 2WF n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide +COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WG 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide +CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC 2WH 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea +Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N 2WI 6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide +CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3 2WJ n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC 2WK n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl 2WL (1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O 2WM (1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F 2WN 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate +C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N 2WP s-ribosylhomocysteine +C#CCNC(=O)c1ccc(cc1OCC(=O)O)F 2WQ [5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid +c1cc(c(cc1F)OCC(=O)O)C(=O)N 2WR (2-carbamoyl-5-fluorophenoxy)acetic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O 2WS beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose +Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O 2WT 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N 2WU 6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2WV (3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CC(C)C[C@@H](N)P(=O)(O)O 2WW [(1s)-1-amino-3-methylbutyl]phosphonic acid +c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WX n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WY n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O 2WZ n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +c1ccc(cc1)CC[C@H](N)P(=O)(O)O 2X0 [(1r)-1-amino-3-phenylpropyl]phosphonic acid +[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N 2X1 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide +C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 2X3 (8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2 2X4 (4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2 2X5 (4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O 2X6 7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one +[H]/N=C/1\C=CC=COC1=O 2X7 (3e)-3-iminooxepin-2(3h)-one +Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F 2X9 {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid +c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N 2XA (2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid +c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 2XB n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid +c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O 2XC (2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one +c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O 2XD (2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one +c1cc(ccc1S)Br 2XE 4-bromobenzenethiol +CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3 2XF tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate +c1cc(c(cc1S)F)F 2XG 3,4-difluorobenzenethiol +c1ccc2c(c1)cccc2S 2XH naphthalene-1-thiol +C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O 2XI (2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N 2XJ 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol +COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N 2XK 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile +CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N 2XL 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N 2XM 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) +Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2XN n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1ccc2c(c1)[nH]c(n2)CS 2XO 1h-benzimidazol-2-ylmethanethiol +[H]/N=C(/C/C=C\C=O)\C(=O)O 2XP (2z,4z)-2-imino-6-oxohex-4-enoic acid +Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F 2XQ 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine +c1ccc2c(c1)c(c[nH]2)C(=O)CCl 2XR 2-chloro-1-(1h-indol-3-yl)ethanone +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 2XS 4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C 2XT propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C 2XU propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O 2XW prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside +CC[C@@H]1C(=O)C(=C(O1)C)O 2XX (2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2 2XY n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N 2XZ 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol +CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N 2Y0 n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y1 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3 2Y2 n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC 2Y3 n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3 2Y4 n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC 2Y5 (2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O 2Y6 n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N 2Y7 (s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y8 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3 2Y9 (3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-] 2YA 4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline +Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C 2YB [(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid +C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N 2YC n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C 2YD (5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one +CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2 2YE 2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide +C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N 2YF n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine +C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N 2YG n~6~-l-lysyl-l-lysine +C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN 2YH n~5~-d-ornithyl-l-ornithine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br 2YI methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate +C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N 2YJ n~5~-d-lysyl-l-ornithine +Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC 2YK 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine +c1ccc(cc1)C2=NC(=O)NC(=N2)N 2YL 6-amino-4-phenyl-1,3,5-triazin-2(1h)-one +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N 2YM 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O 2YN (1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O 2YO 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C 2YP (2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid +Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F 2YQ (8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O 2YR 2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N 2YS d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide +[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N 2YT l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC1=CC(=S)N(C=C1)O 2YU 1-hydroxy-4-methylpyridine-2(1h)-thione +c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YV 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YW methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N 2YX 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O 2YY 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F 2YZ [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl 2Z0 n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide + 2Z3 n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide +CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC 2Z4 benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate + 2Z5 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N 2ZC o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine +C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O 2ZE (3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol + 2ZF n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F 2ZI 8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO 2ZL n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1cc2c(cc1[N+](=O)[O-])nc[nH]2 2ZM 5-nitro-1h-benzimidazole +C[N+](C)(C)CCCC=O 2ZO n,n,n-trimethyl-4-oxobutan-1-aminium +c1cc2cccnc2c(c1)[N+](=O)[O-] 2ZQ 8-nitroquinoline +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O 2ZS n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide +c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 2ZT 2-[(quinolin-7-yloxy)methyl]quinoline +Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3 2ZU 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline +Cc1ccnc(c1[N+](=O)[O-])N 2ZV 4-methyl-3-nitropyridin-2-amine +Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C 2ZW 3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide +c1c(nc(nc1Cl)N)N 2ZX 6-chloropyrimidine-2,4-diamine +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F 2ZY (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one +CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C 2ZZ (5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1OP(=O)(O)O)C=O 300 2-formyl-6-methoxyphenyl dihydrogen phosphate +C\C=C/C\C=N\c1c2c([nH]cn2)ncn1 301 n6-(penta-2,3-dienyl)adenine +c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O 302 4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 303 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide +CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC 304 n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6 306 3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one +Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F 307 6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one +C1C2CC3CC1CC(C2)(C3)N 308 (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl 30A 6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC 30B (2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide +CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 30E (3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid +C(=C(/C(=O)O)\N)\[SeH] 30F (2z)-2-amino-3-selanylprop-2-enoic acid +c1ccc2c(c1)N3CC(=O)NN=C3CO2 30G 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO 30H n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N 30I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl 30J 6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile +CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3 30K (3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O 30M n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O 30N (3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO 30O n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO 30P n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C 30Q s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO 30R n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O 30S 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5 30T trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol +c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N 30U 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N 30V s-[(2-carbamoylphenyl)selanyl]-l-cysteine +CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1 30W n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide +C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N 30X n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide +C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O 30Z 4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C 310 n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide +Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C 311 (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone +COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-] 312 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate +CS(C)CC(=O)O 313 (dimethyl-lambda~4~-sulfanyl)acetic acid +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C 314 n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 315 (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C 316 n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N 317 (2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C 318 n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F 319 n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3 31A n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O 31B benzoyl-oxydephosphocoenzyme a +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid +c1cc(oc1)C/N=C\S 31E (z)-[(furan-2-ylmethyl)imino]methanethiol +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N 31F 4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N 31G 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O 31H 3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 31I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one +Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O 31J 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one +Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C 31K 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol +Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3 31L 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol +CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N 31M 3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate) +COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O 31N 6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 31O methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 31P methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N 31Q (4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O 31R 3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl 31S (2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O 31T 4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N 31U d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6 31V n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide +c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F 31W 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea +c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6 31X 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid +c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5 31Y n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 31Z 2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F 320 2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C 321 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide +CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O 322 [(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O 323 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F 324 n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide +CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F 325 n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide +Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 326 2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid +[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC 327 (3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine +COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile +C[C@H]1CN=C(c2c(ccs2)O1)N 329 (2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC 32A 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide +CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C 32B 2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32C 2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5 32D (1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32E 2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O 32F 2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid +c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 32G (3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br 32H 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N 32I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O 32J 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O 32K 2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O 32L ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate +CCCCCCCCOCCOCCOCCOCCOCCOCCO 32M 3,6,9,12,15,18-hexaoxahexacosan-1-ol +C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O 32O beta-l-ribofuranose +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN 32P 3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O 32Q (2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O 32R (2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N 32S (s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid +c1csc2c1[nH]cc2C[C@@H](C(=O)O)N 32T (s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N 32U d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide +CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3 32V 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one +COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 32W n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide +c1cc2c(c(c1)N)CC=NC2=O 32X 5-aminoisoquinolin-1(4h)-one +c1cc2c(c(c1N)I)C=CC(=O)O2 32Y 6-amino-5-iodo-2h-chromen-2-one +c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O 32Z 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one +COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O 330 9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F 331 (2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid +c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2 332 (3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5 333 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine +Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 334 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate +c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 335 [4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid +c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl 336 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide +Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C 337 n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide +c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O 338 2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol +CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br 339 (s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide +c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl 33A n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide +c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl 33B 3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O 33C 4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CC(C)(C)CCO 33D 3,3-dimethylbutan-1-ol +c1cc(c(cc1C(=O)N)[N+](=O)[O-])I 33E 4-iodo-3-nitrobenzamide +CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F 33F n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N 33G (4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O 33H 3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N 33I 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4 33J 3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid +c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O 33K n-benzyl-n-(carboxymethyl)glycyl-l-histidine +c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2 33L n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide +CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N 33M n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3 33N n-(3,3-diphenylpropyl)pyridine-3-carboxamide +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 33O 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O 33P {3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O 33R (2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S 3-iodo-l-phenylalanine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F 33T 3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N 33U beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO 33V (3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid +c1cc(sc1C[C@@H](C(=O)O)N)Br 33W 3-(5-bromothiophen-2-yl)-l-alanine +C[C@H](C(=O)O)NC 33X n-methyl-d-alanine +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 33Y 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O 33Z (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3 340 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione +c1c(cc(cc1F)F)CO 341 (3,5-difluorophenyl)methanol +c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5 342 (3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O 343 (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid +c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N 344 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO 345 4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N 346 (r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid +CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO 347 tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N 348 4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5 349 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1C)N 34A 3,4-dimethylaniline +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C 34B 2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine +CCCOc1ccc(cc1Cl)CC(=O)O 34C (3-chloro-4-propoxy-phenyl)-acetic acid +c1c(cc(cc1O)O)C(=O)O 34D 3,5-dihydroxybenzoate +C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC 34E (3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine +c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl 34F (1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid +CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC 34G emetine +c1cc(ccc1C[C@H](C(=O)O)O)O 34H (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4 34I n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N 34J (2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O 34K (2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2 34L (8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC 34M 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole +CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F 34N 4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide +COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4 34O 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole +[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 34P n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide +c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4 34Q (3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34R (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34S (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +C[C@@H]1Cc2cccc(c2NC1)S(=O)=O 34T (3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline +COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N 34U 1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine +C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O 34V beta-l-ribulofuranose +CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F 34W n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide +c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F 34X 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 34Y 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide +c1cc(c(cc1C(=O)O)Cl)Cl 34Z 3,4-dichlorobenzoate +c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN 351 1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea +C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O 352 (5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one +CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N 353 n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O 354 n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid +CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6 355 trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C 356 8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione +CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C 357 5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl 358 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N 359 3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid +C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N 35A n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide +CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3 35B 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid +c1c(cc(c(c1O)O)Cl)Cl 35C 3,5-dichlorobenzene-1,2-diol +CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5 35D 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone +c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO 35E [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol +c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5 35F n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N 35G guanosine-3',5'-monophosphate +CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3 35H n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N 35I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one +c1cc(cnc1)CNC=S 35J n-(pyridin-3-ylmethyl)thioformamide +c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2 35K (2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid +c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O 35M 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4 35N copper(ii) tetrapyrrole +C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4 35O n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C 35P (2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5 35Q n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea +CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl 35S {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O 35T {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O 35V 4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol +c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5 35W 7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4 35X 7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1 35Y 3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine +COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O 35Z 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one +c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F 361 (7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine +c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4 362 2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine +c1c[nH]c2c1nc(cn2)c3c[nH]nc3 363 2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine +c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O 364 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O 365 [(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N 367 3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate +[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3 368 (1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate +Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O 369 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol +c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O 36A (s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F 36C 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O 36D n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline +c1ccc2c(c1)[nH]c(n2)C(F)(F)F 36E 2-(trifluoromethyl)-1h-benzimidazole +Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 36F 5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one +COc1ccccc1NC(=O)N2CCCc3c2cccc3 36G n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide +Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO 36H 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol +c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4 36I 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine +C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O 36J (3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC 36K 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea +Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC 36L (1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione +CCCOC(=O)c1ccc(cc1)O 36M propyl 4-hydroxybenzoate +c1c[nH]c2c1nccn2 36N 5h-pyrrolo[2,3-b]pyrazine +c1[nH]c2c(n1)c(ncn2)NC3CCCCC3 36O n-cyclohexyl-9h-purin-6-amine +c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4 36P 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone +c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2 36Q (2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol +c1cc2c(cc1Cl)nc(o2)N 36R 5-chloro-1,3-benzoxazol-2-amine +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl 36S 2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine +c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl 36U (5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one +c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-] 36V trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione +CN1C2=C(CCC2)C(=N)C3=C1CCC3 36X 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine +c1cc(ccc1c2c[nH]cn2)Br 36Y 4-(4-bromophenyl)-1h-imidazole +Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC 36Z methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate +Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 370 4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O 371 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one +CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N 372 n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide +c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN 373 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one +C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC 374 (2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone +c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 376 n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C 377 memantine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 378 methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O 379 3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid +c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO 37A (1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O 37B (2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +Cc1c(c([nH]n1)c2ccco2)C(=O)OC 37D methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate +C1CCC(CC1)NC[C@H](N)P(=O)(O)O 37E [(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4 37F n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O 37G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid +[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 37H (5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N 37I 4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F 37J 2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6 37K (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC 37L (3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9 37M 2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O 37N 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid +CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC 37O n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide +c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O 37P 5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine +C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4 37Q n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide +c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O 37R 5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide +Cn1cnc2c1C(=O)NC(=O)N2C 37T theobromine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N 37U d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide +c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F 37V {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid +Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C 37W 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid +CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O 37X octyl glucose neopentyl glycol +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 37Y n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +C(CCNCCCCN)CN 37Z sym-homospermidine +COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N 380 (2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide +C1CCC(CC1)CP(=O)(CCCN)O 381 (s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid +c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5 382 (r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O 383 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid +COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC 384 (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6 385 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F 386 n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide +c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 387 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br 388 (2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N 389 l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide +Cc1c(c(c(c(c1CO)C)CO)C)CO 38A (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol +CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1 38B 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one +COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O 38C 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O 38D n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C 38E (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O 38F (2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol +CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O 38G 4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid +[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O 38I {(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O 38J alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N 38K 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid +c1cc(c(c(c1)O)[N+](=O)[O-])O 38L 2-nitrobenzene-1,3-diol +CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl 38M 3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 38N n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N 38O 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4 38P 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N 38Q 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4 38R [4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO 38S 1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 38T 5-methyluridine +CC1=C(Cc2c1cccc2)C(=O)O 38U 3-methyl-1h-indene-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N 38V [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5 38W n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO 38X n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC 38Y 3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7 38Z (3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F 390 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide +Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5 391 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine +c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O 392 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl 393 (5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid +CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 394 r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 395 s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl 396 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide +c1cc(ccc1c2cc3cc(ccc3o2)O)O 397 2-(4-hydroxy-phenyl)benzofuran-5-ol +CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl 398 n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide +Cn1cnc2c1[n+](cnc2N)C 39A 6-amino-3,9-dimethyl-9h-purin-3-ium +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C 39B (s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N 39C (2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN 39D 4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C 39E (r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN 39F trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide +CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C 39G n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5 39H 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide +c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 39I ~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine +CC[C@@H](C(=O)O)Cl 39J (2s)-2-chlorobutanoic acid +CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3 39K n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide +c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O 39L [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 39N beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +Cc1cc2c(cc1N)N(C(=O)N2C)C 39O 5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4 39P 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 39Q n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide +c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N 39R 3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 39S n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CC1(Cc2c(sc(n2)N)C(=O)NC1)C 39U 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO 39V n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide +CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C 39W (2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O 39X 3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine +CC[C@H](C)C/C=C/C(=O)O 39Y (2e,5s)-5-methylhept-2-enoic acid +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O 39Z 5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one +C[C@H]1CCN[C@@H](C1)C(=O)O 3A0 (2s,4s)-4-methylpiperidine-2-carboxylic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O 3A1 n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine +CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O 3A2 1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine +c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O 3A3 2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3A4 (2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O 3A5 (2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl +Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N 3A6 3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide +c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br 3A7 (2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O 3A8 (4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one +c1cc2c(cc1C(=O)O)CCO2 3A9 2,3-dihydro-1-benzofuran-5-carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N 3AA 3-aminopyridine-adenine dinucleotide phosphate +c1cc(cc(c1)N)C(=O)N 3AB 3-aminobenzamide +CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C 3AC (2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N 3AD 3'-deoxyadenosine +c1cc(ccc1C(=O)O)C(F)(F)F 3AE 4-(trifluoromethyl)benzoic acid +CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N 3AF 2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan +CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C 3AG 2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N 3AH [histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N 3AI n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C 3AJ 1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile +c1ccc(cc1)CN2c3ccccc3C(=O)C2=O 3AK 1-benzyl-1h-indole-2,3-dione +[C@H]1(C(=O)NC(=O)N1)NC(=O)N 3AL 1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N 3AM [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N 3AN 3'-deoxy 3'-amino adenosine-5'-diphosphate +CC(=O)c1cccc(c1)N 3AO 1-(3-aminophenyl)ethanone +c1cc(c[nH+]c1)N 3AP 3-aminopyridine +c1cc(ccc1CC#N)O 3AQ (4-hydroxyphenyl)acetonitrile +CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N 3AR n-omega-propyl-l-arginine +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O 3AS (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N 3AT 3'-deoxyadenosine-5'-triphosphate +C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3AU 3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) +Cc1ccc2c(c1)C=CC(=O)O2 3AV 6-methyl-2h-chromen-2-one +Cc1nc(nc(n1)N)N 3AW 6-methyl-1,3,5-triazine-2,4-diamine +c1cn[nH]c1N 3AX 1h-pyrazol-5-amine +c1c(nc(nc1N)N)N 3AY pyrimidine-2,4,6-triamine +c1cc(cc(c1)C(=O)O)CN 3AZ 3-(aminomethyl)benzoic acid +c1cc(ncc1C(F)(F)F)N 3B0 5-(trifluoromethyl)pyridin-2-amine +c1ccc(cc1)[C@H](C#N)N2CCOCC2 3B1 (2r)-morpholin-4-yl(phenyl)ethanenitrile +Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 3B2 (14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate +c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-] 3B3 (2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol +c1ccc(c(c1)C(=O)O)NC2CCCCC2 3B4 2-(cyclohexylamino)benzoic acid +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C 3B5 aik-18/51 +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O 3B6 (2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O 3B7 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N 3B8 2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide +CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N 3B9 n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3 3BA 7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide +C=C(CCO)Br 3BB 3-bromobut-3-en-1-ol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C 3BC tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4 3BD 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 3BE 3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C 3BF thiazotropsin b +Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC 3BG 1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone +c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 3BH (2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 3BI (2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid +c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl 3BJ n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine +c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl 3BK (2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3BL (2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 3BM 2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide +CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C 3BN 3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide +c1ccc2c(c1)c(c[nH]2)CC#N 3BO 1h-indol-3-ylacetonitrile +CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N 3BP 2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide) +c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN 3BQ 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea +CCCBr 3BR 1-bromopropane +CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C 3BS 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide +[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N 3BT 2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O 3BU l-allose +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O 3BV n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO 3BW 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO 3BX n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide +CN1CCC[C@H]1C(=O)O 3BY 1-methyl-l-proline +c1cc(cc(c1)Cl)C(=O)O 3BZ 3-chlorobenzoate +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C 3C0 n-methyl scopolamine +CCN1CNS(=O)(=O)c2c1ccnc2 3C1 4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide +CCN1CNS(=O)(=O)c2c1cccn2 3C2 4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide +CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N 3C3 4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine) +c1cc(c(cc1CC(=O)O)Cl)O 3C4 (3-chloro-4-hydroxyphenyl)acetic acid +CNCc1cccc(c1)c2cccnc2 3C5 n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine +c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N 3C6 n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide +C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O 3C7 (3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N 3C8 6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine +CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3 3C9 1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea +c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O 3CA 2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid +CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O 3CB n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide +CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N 3CC n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl 3CD 3-(chloroacetyl) pyridine adenine dinucleotide +c1cc(c(c(c1)Cl)O)O 3CE 3-chlorobenzene-1,2-diol +c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N 3CF 3-cyano-l-phenylalanine +c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O 3CG (2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid +c1cc(cc(c1)Cl)O 3CH 3-chlorophenol +CCCC1=CC(=O)NC(=S)N1 3CJ 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O 3CK beta-d-tagatofuranosyl alpha-d-glucopyranoside +C(CO)CCl 3CL 3-chloropropanol +C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 3CM 3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCCN 3CN 3-aminopropane +[Co+3] 3CO cobalt (iii) ion +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O 3CP 3-carboxypropyl-coenzyme a +CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)C/C(=N\O)/C(=O)O 3CR (2e)-2-(hydroxyimino)-3-phenylpropanoic acid +CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4 3CS 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O 3CT 3-chloro-l-tyrosine +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O 3CU casuarine +Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl 3CW [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol +C1CCC(CC1)NCC(CS(=O)(=O)O)O 3CX (2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4 3CY (3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-] 3CZ (2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine +C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O 3D0 n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N 3D1 (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N 3D2 n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide +c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N 3D3 2-[(6-amino-7h-purin-8-yl)thio]acetamide +C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O 3D4 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide +c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N 3D5 n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide +c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N 3D6 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide +Cn1cc(cn1)C2=CNC(=O)C(=C2)N 3D7 3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one +c1cc(cnc1)Nc2c3cccn3ncn2 3D8 n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4 3D9 6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N 3DA 3'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 3DB 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4 3DC 6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N 3DD (2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid +CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C 3DE 3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N 3DG 9-(3-deoxy-beta-d-ribofuranosyl)guanine +CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 3DH 5'-s-ethyl-5'-thioadenosine +c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N 3DJ (2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid +Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F 3DK 3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O 3DL 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +COc1cccc(c1O)OC 3DM 2,6-dimethoxyphenol +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C 3DN 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one +C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3DO 3-deoxy-beta-d-glucopyranose +CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] 3DP 3-(n,n-dimethyloctylammonio)propanesulfonate +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 3DQ (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +C1CO[C@@H]([C@H]1O)COP(=O)(O)O 3DR 1',2'-dideoxyribofuranose-5'-phosphate +C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O 3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O 3DT 3-methylthymidine +C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3DU 4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one +c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N 3DV 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O 3DW 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3DX 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O 3DY 3,6-anhydro-beta-l-galactopyranose +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O 3DZ (2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +COc1c(cccc1F)c2csc(n2)N3CCOCC3 3E0 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine +CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O 3E1 n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide +c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O 3E2 (3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O 3E3 (2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl 3E4 n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O 3E5 n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O 3E6 rebaudioside a2 +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5 3E7 1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide +CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N 3E8 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile +C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 3E9 (3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O 3EA 2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid +c1cc(cc(c1)C(=O)O)CCC(=O)O 3EB 3-(2-carboxyethyl)benzoic acid +c1cc(oc1CSCCN)C=O 3EC 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde +C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N 3ED 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N 3EE 4-(2-aminophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3EF n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine +C([C@@H](C(=O)O)N)C(F)(F)F 3EG (2s)-2-amino-4,4,4-trifluorobutanoic acid +CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC 3EH 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate +c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O 3EJ 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid +Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O 3EK trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N 3EL n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide +CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O 3EM n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N 3EN n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C 3EO (4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide +CCP(CC)CC 3EP triethylphosphane +CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O 3EQ [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid +CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O 3ER (2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3ES [(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl) +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O 3ET o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine +c1c(cc(cc1Cl)Cl)CC(=O)O 3EU (3,5-dichlorophenyl)acetic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C 3EV (1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO 3EX 3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO 3EY 8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6 3EZ n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +c1cc(c(c(c1)F)N)C(=O)O 3F0 2-azanyl-3-fluoranyl-benzoic acid +Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3 3F1 n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6 3F2 n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 3F3 4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O 3F4 2-(4-hydroxyphenyl)-3h-quinazolin-4-one +CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N 3F5 5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine +c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7 3F6 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole] +c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O 3F7 1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione) +C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O 3F8 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione) +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 3F9 n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide +c1cc(c(c(c1)F)O)O 3FA 3-fluorobenzene-1,2-diol +c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB (3s)-3-amino-4-phenylbutanoic acid +CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C 3FC (1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate +c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N 3FD 4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N 3FE 3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile +c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O 3FF 2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one +c1c(cc(cc1O)O)[C@@H](C(=O)O)N 3FG (2s)-amino(3,5-dihydroxyphenyl)ethanoic acid +C1=CN(C(=S)C(=C1)C(F)(F)F)O 3FH 1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione +c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2 3FI 3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid +CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O 3FK (2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid +c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2 3FL 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O 3FM 3-o-carbamoyl-alpha-d-mannopyranose +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F 3FN 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C 3FO n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O 3FP (2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O 3FQ (2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5 3FR 3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide +[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl 3FS n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide +c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O 3FT 2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C 3FU n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide +c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl 3FV 4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide +[H]/N=C\c1nccc(n1)CN 3FW 1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine +C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O 3FX (2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C 3FY n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide +[H]/N=C(\c1cccc(c1)C=O)/N 3FZ 3-formylbenzenecarboximidamide +C(#N)[Pt-2](C#N)(C#N)C#N 3G0 tetracyanoplatinate(ii) +c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O 3G1 2-[(s)-benzylsulfinyl]benzoic acid +c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3 3G3 2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione +CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl 3G4 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O 3G6 (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O 3G7 (3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3 3G8 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl 3G9 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N 3GA (3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GB n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N 3GC gamma-glutamylcysteine +CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GD n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide +CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O 3GE (2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid +CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5 3GF 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3 3GG 1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 3GH n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl 3GJ n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide +c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4 3GK n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide +C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O 3GL (2s,4s)-2-amino-4-hydroxy-pentanedioic acid +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN 3GM (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 3GN 2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N 3GO 4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N 3GP guanosine-3'-monophosphate +c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O 3GQ benzene-1,2,3-tricarboxylic acid +C([C@H](C=O)O)O 3GR d-glyceraldehyde +COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2 3GS dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O 3GT (3beta,4beta,5beta,10beta,11e,13e)-maytansine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4 3GU n6-cyclopentyladenosine +c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O 3GV (3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O 3GW 5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate +CN1CCCC2=C1C=C(NC2=O)c3ccccc3 3GX 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one +CC[C@@H](C)c1ccccc1 3GY (2r)-butan-2-ylbenzene +CCCCCCc1ccccc1 3GZ hexylbenzene +CCCc1ccccc1 3H0 propylbenzene +Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O 3H1 3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde +CCCCCc1ccccc1 3H2 pentylbenzene +C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C 3H3 4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione +C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N 3H4 (1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate +Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2 3H5 n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F 3H6 n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +c1c(cc2c(c1F)nc(s2)N)F 3H7 4,6-difluoro-1,3-benzothiazol-2-amine +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl 3H8 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 3H9 (s)-3-hydroxyhexanoyl-coa +c1cc(c(c(c1)O)N)C(=O)O 3HA 3-hydroxyanthranilic acid +c1cc(cc(c1)O)C(=O)O 3HB 3-hydroxybenzoic acid +CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 3HC 3-hydroxybutanoyl-coenzyme a +CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O 3HD 1,5-anhydro-3-o-methyl-d-mannitol +C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C 3HE 4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione +CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O 3HF n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide +C(C(CC(=O)O)O)C(=O)O 3HG 3-hydroxypentanedioic acid +CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O 3HH n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O 3HI (3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 3HJ n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide +COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N 3HK 4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile +C[C@@H](CC(=O)O)O 3HL (3s)-3-hydroxybutanoic acid +Cc1c(cc(cn1)C(=O)O)O 3HM 5-hydroxy-6-methylpyridine-3-carboxylic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F 3HN 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCCCC[C@@H](CC(=O)O)O 3HO (3s)-3-hydroxyoctanoic acid +c1cc(cc(c1)O)CC(=O)O 3HP 3-hydroxyphenylacetate +Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C 3HQ 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +C[C@H](CC(=O)O)O 3HR (3r)-3-hydroxybutanoic acid +c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HS 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4 3HT 5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione +c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O 3HU (s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione +c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O 3HV 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O 3HW 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-] 3HX (4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine +c1cc(cc(c1)O)CO 3HY 3-(hydroxymethyl)phenol +CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HZ 5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O 3I0 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid +CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F 3I3 4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine +C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br 3I6 4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide +c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3 3I7 3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium +c1ccc2c(c1)c(c[nH]2)CCCC(=O)O 3IB 3-indolebutyric acid +c1c[nH]c2c1cc(c(c2)O)O 3ID 3h-indole-5,6-diol +C[C@@H](COC)N 3IE (2~{s})-1-methoxypropan-2-amine +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5 3IF n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C 3IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide +Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3 3IH n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl 3II n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide +C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N 3IK (2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O 3IL 3-(indol-3-yl) lactate +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O 3IN n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide +c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O 3IO 3-(1h-indol-3-yl)-2-oxopropanoic acid +c1ccc(cc1)COc2cccnc2N 3IP 3-(benzyloxy)pyridin-2-amine +c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 3IR (1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide +c1cc2c(cc1Cl)CC(=O)N2 3IS 5-chloranyl-1,3-dihydroindol-2-one +CC(=C)C1=C(C(=O)C=CC=C1)O 3IT 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5 3IU n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3IX s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N 3IZ (2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3J0 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO 3J1 8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one +CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O 3J2 nagilactone c +C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 3J3 (1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol +C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O 3J4 (6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol +Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C 3J5 2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one +CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO 3J6 (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N 3J7 n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine +CN1c2ccccc2N=C3C1=CC=CC3=O 3J8 5-methylphenazin-1(5h)-one +C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3J9 (4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4 3JA 5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N 3JB 3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile +Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3 3JC (7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one +c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4 3JD 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide +c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 3JE triphenyl(phenylethynyl)phosphonium +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JF n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O 3JG (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O 3JH n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O 3JI 3-(4-phenylbutanamido)pyridine-4-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JJ n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JK (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide +c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O 3JL 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O 3JM 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O 3JN 3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O 3JO n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC 3JP (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O 3JQ (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O 3JR (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O 3JS (4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O 3JT (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JU (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JV (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3 3JW baricitinib +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3JX 4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O 3JY [(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid +CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C 3JZ n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N 3K0 n-sulfamoyl-l-glutamic acid +c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O 3K1 5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3K2 4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7 3K3 5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one +C[C@H]1[C@H](N1)C(=O)O 3K4 (2s,3s)-3-methylaziridine-2-carboxylic acid +C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O 3K5 3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose +C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5 3K6 n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide +Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC 3K7 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine +COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC 3K8 (14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 3K9 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 3KA 1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F 3KB 5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O 3KC 3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol +c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O 3KD (1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol +COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O 3KE 4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid +c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O 3KF (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F 3KG 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1cc2c(cc1c3nnc(s3)N)[nH]nn2 3KH 5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O 3KJ n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O 3KK s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C 3KL (5beta,9beta)-3-oxocholan-24-oic acid +[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N 3KM 3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide +c1cncc(c1N)c2nnc(s2)N 3KN 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4 3KO (2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one +C(C(CCl)Cl)Cl 3KP 1,2,3-trichloropropane +COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl 3KQ n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide +COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 3KR 1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C 3KS n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4 3KT (2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4 3KU n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C 3KV retinoic acid +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4 3KW (2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one +c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O 3KX 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one +CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C 3KY 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one +C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C 3KZ (1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C 3L0 (1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N 3L1 (2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4 3L2 (4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione +C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N 3L3 [(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N 3L4 [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid +c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N 3L5 (2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N 3L6 (2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L7 (2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L8 [(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O 3L9 montbretin a +CCCCCCCCCC(=O)CC(=O)O 3LA 3-oxododecanoic acid +CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C 3LB (3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LC (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +c1ccc(cc1)CCC2=CC(=O)C(=NN2)O 3LD 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LE (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +COc1cc(cc(c1OC)OC)CCC(=O)O 3LF 3-(3,4,5-trimethoxyphenyl)propanoic acid +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O 3LG (5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid +CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5 3LH n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC 3LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O 3LJ 2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C 3LK bc-3205 +CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F 3LL (5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O 3LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid +CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 3LN (4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6 3LO (4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3 3LP 1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N 3LQ 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile +C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O 3LR 3,6-dideoxy-l-arabino-hexonic acid +c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O 3LS 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C 3LT (4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid +c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O 3LU 1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium +CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O 3LV 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid +c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br 3LW (3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium +CCCCCCCCCCCCC=S 3LX tridecanethial +CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3 3LZ 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea +Cc1cccc(c1N)C(=O)O 3M0 2-azanyl-3-methyl-benzoic acid +c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F 3M1 (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone +CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N 3M2 (5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one +Cc1c(c(n[nH]1)C)CCCOc2ccccc2F 3M3 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole +CCOc1ccccc1c2nc(no2)c3ccncc3 3M4 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine +CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 3M5 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O 3M6 (2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O 3M7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O 3M8 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F 3M9 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide +C[n+]1cnc(c2c1[nH]cn2)N 3MA 6-amino-3-methylpurine +COc1cccc(c1)C(=O)N 3MB 3-methoxybenzamide +C[N+]1=C(C=CNC1=O)N 3MC 3-methylcytosine +C[C@@H]([C@@H](C(=O)O)N)C(=O)O 3MD 2s,3s-3-methylaspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C 3ME 2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) +CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO 3MF 3-o-methylfructose in linear form +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3MG 3-o-methyl-beta-d-glucopyranose +CC1=CC=CN(C1=S)O 3MH 1-hydroxy-3-methylpyridine-2(1h)-thione +c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl 3MI 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MJ 1-(3,4,5-trihydroxyphenyl)dodecan-1-one +C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 3MK beta-l-altropyranose +CC1=CC(=O)O[C@H]1CC(=O)O 3ML [(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@H](CCSC)C(=O)O 3MM (1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium +C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5 3MN 3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile +CN1CCOC1=O 3MO 3-methyl-1,3-oxazolidin-2-one +Cc1cccnc1 3MP 3-methylpyridine +c1cc(sc1)c2cc(no2)CO 3MQ (5-thiophen-2-ylisoxazol-3-yl)methanol +CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5 3MR (4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide +CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C 3MS n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide +C[n+]1ccsc1 3MT 3-methylthiazolium ion +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3MU 3-methyluridine 5'-(dihydrogen phosphate) +CC[C@@H](C)C[C@@H](CC)C(C)C 3MV (3r,5r)-3-ethyl-2,5-dimethylheptane +c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N 3MW 4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MX 1-(3,4,5-trihydroxyphenyl)decan-1-one +c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O 3MY 3-chloro-d-tyrosine +CCCCCCCCC(=O)c1ccc(c(c1O)O)O 3MZ 1-(2,3,4-trihydroxyphenyl)nonan-1-one +CCCCCC(=O)c1cc(c(c(c1)O)O)O 3N0 1-(3,4,5-trihydroxyphenyl)hexan-1-one +Cc1c2cc(ccc2sc1CC(=O)O)Cl 3N1 (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid +c1cc2c(cc1Cl)c(cs2)CC(=O)O 3N2 (5-chloro-1-benzothiophen-3-yl)acetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O 3N3 (2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O 3N4 naphtho[2,1-b]thiophen-1-ylacetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O 3N5 (2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6 3N6 n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide +Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5 3N7 n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine +c1cc(c(cc1F)O)O 3N8 4-fluorobenzene-1,2-diol +C1=CC(=O)[C@@](C=C1F)(O)OO 3N9 (6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one +c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F 3NA {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid +CCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3NB 1-(3,4,5-trihydroxyphenyl)octan-1-one +c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2 3NC cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide +c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl 3ND (3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide +c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F 3NE 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O 3NF n-acetyl-l-tyrosine +c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6 3NH (3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate +[Ni+3] 3NI nickel (iii) ion +C1=CC(=O)OC(=O)C=C1F 3NJ 4-fluorooxepine-2,7-dione +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC 3NK 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl 3NL 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide +Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O 3NM 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid +C(C[N+](=O)[O-])C(=O)O 3NP 3-nitropropanoic acid +C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 3NQ 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O 3NR 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol +Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO 3NS (3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid +Cc1cccc(c1)[N+](=O)[O-] 3NT 3-nitrotoluene +CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C 3NU 4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine +CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4 3NV 4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine +CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C 3NW 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O 3NX 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide +c1cc2c(cc1[N+](=O)[O-])nn[nH]2 3NY 5-nitro-1h-benzotriazole +COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N 3NZ 3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N 3O0 {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone +CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N 3O1 tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate +COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F 3O2 n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N 3O3 n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid +CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4 3O4 n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide +c1cc(ccc1OCCCCN)S(=O)(=O)N 3O5 4-(4-sulfamoyl-phenoxy)-butylammonium +Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F 3O6 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea +c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O 3O7 1,4,5,8-tetrahydroxyanthracene-9,10-dione +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO 3O8 1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO 3OA 1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione +CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N 3OB 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile +C1C[C@H](CC(=O)C1)C(=O)O 3OC (1r)-3-oxocyclohexanecarboxylic acid +CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 3OD (2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate +Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 3OE 4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide +[OH2][Fe+3][OH2] 3OF hydrated fe (iii) ion, 2 waters coordinated +CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C 3OG (1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate +C(CO)C(=O)O 3OH 3-hydroxy-propanoic acid +B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O 3OJ 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile +c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN 3OK 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione +CCCCC[C@H](C=C)O 3OL (3r)-oct-1-en-3-ol +CCCCC[C@@H](C=C)O 3OM (3s)-1-octen-3-ol +CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C 3ON (3r)-3-hydroxy-8'-apocarotenol +CC(C)(C)NCCCNC(=O)c1cccc(c1)Br 3OO 3-bromo-n-[3-(tert-butylamino)propyl]benzamide +c1cc(cnc1)Oc2cccnc2 3OP 3,3'-oxydipyridine +C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O 3OQ 3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO 3OR 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO 3OS 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide +COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 3OT 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C 3OU 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C 3OV 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OW (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OX (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br 3OY n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl 3OZ [4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid +CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C 3P0 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile +c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N 3P1 8-[(quinolin-2-ylmethyl)amino]adenosine +Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C 3P2 n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O 3P3 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O 3P4 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one +c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O 3P5 (3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F 3P6 (4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O 3P7 (2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid +C[NH3+] 3P8 methylammonium ion +C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O 3P9 (2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C1CCC(C1)CCC(=O)O 3PA 3-cyclopentyl-propionic acid +C[C@H](CC(=O)O)OP(=O)(O)O 3PB (3r)-3-(phosphonooxy)butanoic acid +CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC 3PC (3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N 3PD 2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 3PE 1,2-distearoyl-sn-glycerophosphoethanolamine +CN1Cc2ccccc2NC1=O 3PF 3-methyl-3,4-dihydroquinazolin-2(1h)-one +C([C@H](C(=O)O)O)OP(=O)(O)O 3PG 3-phosphoglyceric acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 3PH 1,2-diacyl-glycerol-3-sn-phosphate +CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC 3PI (1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O 3PJ n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +CCCCCC(=O)O[C@@H](C)COC(=O)CCCC 3PK (2s)-1-(pentanoyloxy)propan-2-yl hexanoate +c1ccc(cc1)CCC=O 3PL 3-phenylpropanal +CC(C)(C)OC[C@H](C(=O)O)N 3PM o-tert-butyl-d-serine +OP(=O)(O)OP(=O)(O)OP(=O)(O)O 3PO triphosphate +C(CP(=O)(O)O)C(=O)O 3PP 3-phosphonopropanoic acid +C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl 3PQ 2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide +Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N 3PS 4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide +CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC 3PT (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4 3PU 5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl 3PW 5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +CC(C)O[C@H]1CCN[C@@H]1C(=O)O 3PX (3s)-3-(propan-2-yloxy)-l-proline +C(C(=O)C(=O)O)O 3PY 3-hydroxypyruvic acid +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5 3PZ (3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N 3Q0 6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine +c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N 3Q1 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine +C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N 3Q2 6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine +c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N 3Q3 (2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide +C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5 3Q4 (3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide +C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q5 tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate +C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q6 tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate +C[As+](C)(C)CC(=O)[O-] 3Q7 (trimethylarsonio)acetate +CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C 3Q8 3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO 3QA (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O 3QB lincomycin +Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C 3QC (4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide +B(CC)(O)O 3QD ethylboronic acid +c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 3QE {[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N 3QF [2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O 3QG [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid +Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N 3QH 6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide +Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C 3QI 5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one +[B-](CCCCCC)(O)(O)O 3QJ hexyl(trihydroxy)borate(1-) +[B-](CCCCCCCC)(O)(O)O 3QK trihydroxy(octyl)borate(1-) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O 3QL n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide +C[C@H](Cc1ccccc1)N=O 3QM [(2r)-2-nitrosopropyl]benzene +Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O 3QN (e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine +c1ccc(cc1)Cc2ccncc2 3QO 4-benzylpyridine +Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O 3QP (e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid +CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C 3QQ n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide +c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O 3QR [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3 3QS 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine +Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5 3QT 6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline +c1cc(ccc1Cc2ccncc2)[N+](=O)[O-] 3QU 4-(4-nitrobenzyl)pyridine +c1cc2c(cc1O)OC(=O)C(=C2)C#N 3QV 7-hydroxy-2-oxo-2h-chromene-3-carbonitrile +CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC 3QW n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F 3QX 4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3 3QY n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 3QZ (9beta)-17-hydroxypregn-4-ene-3,20-dione +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5 3R0 n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine +Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl 3R1 2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide +C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O 3R2 2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O 3R3 [[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc2c(cc1F)sc(c2Cl)C(=O)O 3R4 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid +COc1ccc(c(c1)C=O)OCc2cccnc2 3R5 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde +CSc1ccc(c(c1)C(=O)O)O 3R6 2-hydroxy-5-(methylsulfanyl)benzoic acid +C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O 3R7 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid +C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O 3R9 (3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4 3RA 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2 3RB (2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid +c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4 3RC 3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O 3RD 4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC 3RE 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5 3RF n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +c1ccc(c(c1)C(=O)O)NCC(=O)O 3RG 2-[(carboxymethyl)amino]benzoic acid +c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N 3RH (6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine +C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O 3RI (3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol +c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6 3RJ n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O 3RK (3s,4r,5r,6s)-azepane-3,4,5,6-tetrol +COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O 3RL pterostilbene +c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br 3RM 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine +C1CC(=O)C(=C1)CO 3RN 2-(hydroxymethyl)cyclopent-2-en-1-one +c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O 3RO 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC 3RP 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine +Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC 3RQ 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N 3RR 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C 3RS (2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide +c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6 3RT n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine +c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3 3RU 3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide +c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F 3RV 5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4 3RW [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone +CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C 3RX n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O 3RY 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid +Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N 3RZ 4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide +CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O 3S0 (2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O 3S1 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one +CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O 3S2 [(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid +C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+] 3S3 (1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium +C[C@@](CCO)(CC(=O)O)OP(=O)(O)O 3S4 (3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid +[H]/N=C(/N)\NCCS(=O)(=O)O 3S5 taurocyamine +C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O 3S6 prop-2-en-1-yl beta-d-galactofuranoside +c1ccc(cc1)COC(=O)NCC#N 3S9 benzyl (cyanomethyl)carbamate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO 3SA acarbose derived trisaccharide +Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O 3SB (2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4 3SC 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C 3SD n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F 3SE 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F 3SF 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F 3SG methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate +CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3 3SH ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate +Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C 3SJ 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +Cc1ccccc1C(=O)O 3SK 2-methylbenzoic acid +C([C@@H](C(=O)O)O)S(=O)(=O)O 3SL (2r)-3-sulfolactic acid +CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C 3SM 2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide +CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4 3SN n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O 3SO {5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate +[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 3SP n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide +c1cc(ccc1c2c[nH]cn2)F 3SQ 4-(4-fluorophenyl)-1h-imidazole +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4 3SR 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione +C(CSS)C(=O)O 3SS 3-disulfanylpropanoic acid +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N 3ST 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide +c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S 3SU (2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid +CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C 3SV (3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2 3SW (2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3 3SX n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide +C(C(CO)(CO)CO)O 3SY 2,2-bis(hydroxymethyl)propane-1,3-diol +c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N 3SZ 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline +Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O 3T0 (5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione +COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2 3T1 (3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C 3T2 (2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid +c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS 3T3 [(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N 3T4 {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C 3T5 (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate +c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N 3T7 2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole +CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C 3T8 n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide +COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4 3T9 2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol +Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl 3TA 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N 3TB n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide +C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N 3TC 4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3TD (1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC 3TF (2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate +c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3 3TG 1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one +c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl 3TH 2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O 3TI 1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol +CCN1CNS(=O)(=O)c2c1ccc(c2)F 3TJ 4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C 3TK n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4 3TL benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate +CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C 3TN (2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3 3TO 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine +C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N 3TP (2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine +CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3 3TQ n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide +c1[nH]nc(n1)N 3TR 3-amino-1,2,4-triazole +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl 3TS (2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N 3TT [[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O 3TU (2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide +COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TW 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol +c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TX 4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol +c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 3TY 3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3TZ n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid +c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F 3U1 3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2 3U2 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C 3U3 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide +c1ccc(c(c1)C(=O)O)F 3U4 2-fluorobenzoic acid +c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N 3U5 5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine +c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N 3U6 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine +c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O 3U7 4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O 3U8 4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C 3U9 3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O 3UA (2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C 3UB propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O 3UC [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O 3UD 4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid +Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 3UE [4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone +c1cc(ccc1SCCO)S(=O)(=O)N 3UF 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F 3UG 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O 3UH ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid +Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N 3UJ 5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 3UK 5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3 3UL n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide +C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O 3UM (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid +CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC 3UN (4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid +COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3 3UO 2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide +c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4 3UP 2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide +C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1 3UQ [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) +c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F 3UR (3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O 3US n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6 3UT (5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N 3UW (4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C 3UX (4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3UY (4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C 3UZ (2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide +c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O 3V0 n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide +Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N 3V1 2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide +CC[C@H](N)P(=O)(O)O 3V2 [(1r)-1-aminopropyl]phosphonic acid +C(COCCOCCOCCOCCN)C(=O)O 3V3 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid +CC1=CC[C@H]2[C@@H](C1)C2(C)C 3V4 (+)-3-carene +CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN 3V5 (3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline +C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O 3V6 bactobolin a +c1c(nnn1CCCO)CO 3V7 3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O 3V8 (4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O 3V9 n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C([C@H]([C@@H](CO)O)O)O 3VB d-threitol +CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4 3VC n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4 3VD n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine +Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4 3VE n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N 3VF n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O 3VH (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid +c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O 3VI 1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium} +[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC 3VJ 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide +CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C 3VK n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O 3VL methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN 3VM trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide +C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N 3VN (2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid +c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N 3VO (4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF 3VP (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1ccnc(c1)c2ccc(s2)C(=O)N 3VQ 5-(pyridin-2-yl)thiophene-2-carboxamide +CNCc1ccc(cc1)Cn2cccn2 3VR n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine +c1cc(ccc1C(=O)N)n2ccnc2 3VS 4-(1h-imidazol-1-yl)benzamide +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O 3VT [(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O 3VU {(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3VV s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name) +c1ccc(cc1)C(=O)C2CCNCC2 3VW phenyl(piperidin-4-yl)methanone +CC(=O)Nc1ccc2c(c1)C=CC2=O 3VX n-(1-oxo-1h-inden-5-yl)acetamide +Cn1cc(c2c1cccc2)CC(=O)O 3VY (1-methyl-1h-indol-3-yl)acetic acid +CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O 3VZ {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid +c1cc(ccc1CN)Cn2cc(cn2)Cl 3W1 1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine +CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5 3W2 2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one +C=CCOc1ccc(cc1)S(=O)(=O)N 3W3 4-(allyloxy)benzenesulfonamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5 3W4 n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5 3W5 n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +CCCOc1ccc(cc1)S(=O)(=O)N 3W6 4-propoxybenzenesulfonamide +CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O 3W7 1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one +CCOc1ccc(cc1)S(=O)(=O)N 3W8 4-ethoxybenzenesulfonamide +CCN(CC)c1ccc(cc1)C=O 3W9 4-(diethylamino)benzaldehyde +c1nc(c2c(n1)NC=CC2=O)N 3WA 4-aminopyrido[2,3-d]pyrimidin-5(8h)-one +Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C 3WB (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +Cc1cc(nc2c1cccc2)N3CCNCC3 3WC 4-methyl-2-(piperazin-1-yl) quinoline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WD 2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br 3WE (2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O 3WF ethinyl estradiol +[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 3WG trans-nonachlor +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I 3WH n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide +c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N 3WJ 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O 3WK 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 3WL 5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one +CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O 3WM (1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol +c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N 3WN 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N 3WO 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F 3WP (4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C 3WQ 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone +c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N 3WR 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +CC(C)(C(=O)O)NC 3WS n,2-dimethyl-l-alanine +CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC 3WT (3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid +C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O 3WU (2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC 3WV n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +c1ccc(cc1)C[C@@H](c2nccs2)N 3WW (1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine +C[C@]1(CCCN1)C(=O)O 3WX 2-methyl-l-proline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C 3WY 2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WZ 2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl 3X0 (4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine +CCCCCCCCC/C=C/C(=O)O 3X1 (2e)-dodec-2-enoic acid +c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O 3X2 2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4 3X3 5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole +CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O 3X4 n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3X5 (2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 3X6 (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3X7 3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 3X8 biphenyl-4-yl alpha-d-mannopyranoside +CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C 3X9 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F 3XA 6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F 3XB 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F 3XC 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XD 6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XE (4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F 3XF 6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4 3XG ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate +c1cc(cc(c1)O)C(=O)NCC(=O)O 3XH 3-hydroxyhippuric acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2 3XI n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O 3XJ 4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid +CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N 3XK n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide +c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O 3XL 3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O 3XM 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one +c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XN 4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside +CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XO 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O 3XQ (2s)-2,3-dihydroxypropyl octadecanoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O 3XR (2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium +COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O 3XS 2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N 3XT 4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O 3XU (4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O 3XV n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide +Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F 3XW 4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +C/C=C/1\C(=O)C(=C(O1)C)O 3XX (2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 3XY 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N 3XZ bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate +CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 3Y0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N 3Y1 2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide +[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl 3Y2 2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl 3Y3 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl 3Y4 methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl 3Y5 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O 3Y6 3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid +c1cc(c2c(c1N)non2)N3CCOCC3 3Y7 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine +CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O 3Y8 3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid +c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3Y9 n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YA n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N 3YB n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YC (s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YD (s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YE (s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N 3YF (s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid +c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YG (s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid +[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N 3YH 3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O 3YI (2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate +COc1cc(ccc1O)C[C@@H](C(=O)O)N 3YM 3-methoxy-l-tyrosine +C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O 3YN [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate +Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C 3YO n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide +C1CCC(C1)CCC(=O)NO 3YP 3-cyclopentyl-n-hydroxypropanamide +Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O 3YQ {[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid) +c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F 3YR 2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F 3YS n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YT 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 3YU (2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YV 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O 3YW (2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YX 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4 3YY (5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione +Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6 3YZ [(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone +CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N 3Z0 [(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone +Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC 3Z1 2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6 3Z2 n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide +Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z3 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z4 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z5 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N 3Z6 1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone +COc1cc(ccc1O)Br 3Z7 4-bromo-2-methoxyphenol +c1cc2c(cc1Cl)C(=O)NCC2 3Z8 7-chloro-3,4-dihydroisoquinolin-1(2h)-one +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC 3Z9 methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate +CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O 3ZA (4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid +c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB 5-chloro-1h-indole-2-carboxylic acid +CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC 3ZC 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 3ZD (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide +c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZE {2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZF {2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3 3ZG 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O 3ZH 11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid +CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZJ n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZK 4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide +C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N 3ZL n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine +Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO 3ZM 5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide +CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZN (3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O 3ZO 2'-deoxy-xanthosine-5'-monophosphate +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC 3ZP 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal +C1CC[C@@H]([C@H](C1)O)O 3ZQ (1s,2s)-cyclohexane-1,2-diol +CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC 3ZR diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate +C1C[C@@H]2[C@H](C1)O2 3ZS (1r,5s)-6-oxabicyclo[3.1.0]hexane +COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N 3ZU (2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one +COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC 3ZV 5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 3ZZ protoporphyrin ix containing indium +CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C 400 3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O 401 (2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid +C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 402 dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl 403 (2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide +CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C 404 (2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol +c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F 405 (3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C 406 n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO 407 n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F 408 (3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O 409 n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N 40A n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O 40B [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) +C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N 40C n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F 40D 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine +CC(C)NC(=O)C(=O)O 40E oxo(propan-2-ylamino)acetic acid +C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N 40F (1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N 40G n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 40H (1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O 40J 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside +c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl 40K [(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid +CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 40L 5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one +CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C 40M n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide +c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F 40N 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one +C1CC[C@H]([C@@H](C1)O)O 40O (1r,2r)-cyclohexane-1,2-diol +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O 40P pinnatoxin a +c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 40Q 4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CCCCn1cncn1 40R 1-butyl-1h-1,2,4-triazole +CC(CCO)CCO 40S 3-methylpentane-1,5-diol +CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O 40T n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3 40U n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-] 40V n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N 40W 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C 40X (6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N 40Y 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl 40Z 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide +c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4 410 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4 411 3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide +[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO 412 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine +COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N 413 (s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O 414 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2 415 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea +CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O 416 (2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3 417 (1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine +COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O 418 2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC 419 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide +CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C 41A 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl 41B 1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one +c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-] 41D 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate +CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC 41E 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide +c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4 41F n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O 41G 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid +C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H (betas)-beta-methyl-l-phenylalanine +c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 41I 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C 41J pinnatoxin g +C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O 41K (2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid +c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3 41L n-(1h-benzimidazol-1-yl)-2-phenylacetamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2 41M n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4 41N 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone +c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O 41O 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one +COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC 41P 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide +[H]/N=C(/C[C@@H](C(=O)O)N)\O 41Q 4-imino-l-homoserine +Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO 41R n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F 41S n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC 41T n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide +CNCC[C@@H](c1ccccc1)Oc2ccccc2OC 41U nisoxetine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41V (1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41W (1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol +CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3 41X (2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine +C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC 41Y 2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol +Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C 41Z 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI 420 n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide +[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N 421 6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester +c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N 422 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 423 (1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl 424 (2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 425 2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N 426 6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide +[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO 427 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine +CC(C)c1cn2c(n1)ccc(n2)O 428 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol +CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 429 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester +c1cc2c(c[nH]c2nc1)C#N 42A 1h-pyrrolo[2,3-b]pyridine-3-carbonitrile +C(CN)[C@H](C(=O)O)O 42B 4-amino-2-hydroxybutanoic acid +CN(C)c1c2c(nc[nH]2)ncn1 42C n,n-dimethyl-7h-purin-6-amine +COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 42D 3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N 42E [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC 42F methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O 42G 4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O 42H (4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O 42I n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide +c1cc(c(cc1CCN)Cl)Cl 42J 2-(3,4-dichlorophenyl)ethanamine +c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N 42K 4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC 42L methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO 42M {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium] +c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O 42O (3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO 42P (1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F 42Q 1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O 42R (3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one +c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F 42S n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide +c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO 42T 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F 42U 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline +CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S 42V 5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one +CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S 42W (e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one +CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 42X n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide +CCC(=O)OC[C@@H](C(=O)O)N 42Y o-propanoyl-l-serine +c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O 42Z n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4 430 5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2 431 2-(4-methylphenyl)-4h-chromen-4-one +CCCC(=O)OC[C@@H](C(=O)O)N 432 o-butanoyl-l-serine +CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl 433 2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid +Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O 434 spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione] +Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 435 4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC 436 (2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4 437 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea +CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O 438 2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid +CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 439 6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4 43A (3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6 43B 3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4 43C 4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C 43D 4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile +c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 43E 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea +COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl 43F 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene +c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O 43G 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one +B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O 43H [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid +CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3 43J 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F 43K (5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br 43L (5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine +Cc1cc(ccc1Cl)O 43M 4-chloro-3-methylphenol +CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C 43N 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid +Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC 43O n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide +CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3 43P 4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole +C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O 43Q (3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate +CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC 43R n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br 43S 6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine +C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C 43T 3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide +COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br 43U 6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl 43V n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C#CCCOP(=O)(O)OP(=O)(O)O 43W but-3-yn-1-yl trihydrogen diphosphate +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F 43X [(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 43Y [(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate +c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O 43Z optactamide +CC#CCOc1ccc(cc1)S(=O)(=O)CCCS 440 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol +c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O 442 2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O 443 1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one +c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O 444 n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide +c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 445 n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine +COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4 446 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid +COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5 447 n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide +C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F 448 (2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +C[N+]1(CCC(CC1)C(=O)O)C 449 4-carboxy-1,1-dimethylpiperidin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N 44A 9-beta-d-ribofuranuronosyl-9h-purin-6-amine +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F 44B 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 44C 4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O 44D 7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione +CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC 44E (2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2 44F 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea +CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC 44G (2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 44I 6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44J n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44K n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 44L 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 44M 2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O 44N 2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44O [(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O 44P 5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N 44Q 3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N 44R n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O 44S 2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose +CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 44T 7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N 44U beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide +C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N 44V (6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +CC1=NC2=C(NC1)N=C(NC2=O)N 44W 2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F 44X 6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC 44Z 4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O 450 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone +CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2 451 n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide +CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F 452 2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5 453 (4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4 454 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl 455 (3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC 456 n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO 458 4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO 459 4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 45A 5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine +CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide +c1c(c(cc(c1Cl)Cl)O)O 45C 4,5-dichlorobenzene-1,2-diol +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45D beta,beta-carotene-4,4'-dione +Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC 45E 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone +C#CCO[C@H]1C[C@H](NC1)C(=O)O 45F (4s)-4-(prop-2-yn-1-yloxy)-l-proline +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45H beta,beta-carotene-4,4'-dione +c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N 45I 2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid +B1(c2c(ccs2)C(=NN1C)Cl)O 45J 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol +c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 45K (8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1cccc(c1)C(=O)NN 45L 3-methylbenzohydrazide +c1cc(ccc1C(=O)NNC2=NCCC2)Br 45M 4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide +c1cc2c(cc1CNC3CCCC3)OCO2 45N n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine +C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C 45O 6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl 45P 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide +Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C 45Q n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4 45R 7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium +Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl 45S n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide +c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 45T {[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N 45U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide +CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C 45V 2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide +C#CO[C@H]1C[C@@H](NC1)C(=O)O 45W (4s)-4-(ethynyloxy)-d-proline +c1cc(cnc1)CCN 45X 2-(pyridin-3-yl)ethanamine +c1cc(ccc1CC(=O)NN)F 45Y 2-(4-fluorophenyl)acetohydrazide +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F 45Z 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4 460 2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine +C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 461 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC 462 n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide +CC(=O)Nc1cccc(c1)CN 463 n-[3-(aminomethyl)phenyl]acetamide +c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N 464 3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide +CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O 465 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4 466 n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide +CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 467 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide +Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 468 (3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F 469 2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide +CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C 46A n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine +CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O 46B {4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid +CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4 46C 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O 46D (4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid) +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 46E (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl 46F (2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F 46G 6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline +C1CCN(CC1)C(=O)[C@H]2CCCNC2 46H (3s)-piperidin-3-yl(piperidin-1-yl)methanone +C1CCN(CC1)C(=O)[C@@H]2CCCNC2 46J (3r)-piperidin-3-yl(piperidin-1-yl)methanone +CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O 46K n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide +CN(C)c1ccc(cn1)C(=O)O 46L 6-(dimethylamino)pyridine-3-carboxylic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O 46M (4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid +c1cc2c(cc1[C@H]3CCCN3)OCCO2 46O (2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine +Cc1c(sc(n1)N)c2nccn2C 46P 4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine +CC[C@](C)(CN)N1CCOCC1 46Q (2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine +c1conc1C(=O)NCC(F)(F)F 46R n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide +Cc1cc(ncn1)N2CCCCCC2 46S 1-(6-methylpyrimidin-4-yl)azepane +CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C 46T (1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N 46U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide +CNC(=S)Nc1ccc(cc1Cl)Br 46V 1-(4-bromo-2-chlorophenyl)-3-methylthiourea +[H]/N=C(\N)/N1CCC(CC1)C 46W 4-methylpiperidine-1-carboximidamide +C1CCN(C1)c2c(c(n[nH]2)N)C#N 46X 3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile +Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C 46Y 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile +c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O 46Z (2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate +CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4 470 (3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine +CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C 471 n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4 472 (5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N 474 (2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide +c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 475 n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine +CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 476 3-butyl-1-(2,2-diphosphonoethyl)pyridinium +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O 477 3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol +CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N 478 {3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2 479 4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide +c1cc(ccc1C(=O)CN)Br 47A 2-amino-1-(4-bromophenyl)ethanone +c1cc(c(cc1c2cn3ccnc3nn2)F)F 47B 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine +C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 47C 2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate) +c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O 47D {3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid +c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E (2r)-(3-chlorophenyl)(hydroxy)ethanoic acid +COc1ccc(cc1O)CN 47G 5-(aminomethyl)-2-methoxyphenol +CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C 47H 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline +c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5 47I 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol +Cc1cc(n(n1)C)CN 47J 1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine +CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C 47K 2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide +C1CCC(CC1)C(=O)NC[C@H]2CCCO2 47L n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide +c1cc(oc1CN)C(F)(F)F 47M 1-[5-(trifluoromethyl)furan-2-yl]methanamine +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O 47N neoagarobiose +C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 47P 2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one +c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3 47Q 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one +[H]/N=C(/C)\N(CC)CC 47R (1z)-n,n-diethylethanimidamide +CN(C)c1cccc(c1)C(=O)NN 47S 3-(dimethylamino)benzohydrazide +CC1CCC(CC1)NC(=O)[C@H]2CCCO2 47T (2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2 47U n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +Cc1cc(c(o1)C)C(=O)Nc2ccncc2 47V 2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide +COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3 47W 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium +c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O 47X 3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C 47Y 3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine +CCCCCCCC(=O)OC[C@H](CO)O 480 (2s)-2,3-dihydroxypropyl octanoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C 481 4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide +CCCC(=O)CC(=O)N[C@H]1CCOC1=O 482 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CC1CCC(CC1)NC(=O)Cn2ccnc2 483 2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide +CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O 484 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O 485 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid +CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O 486 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one +C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2 487 6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine +CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O 488 (2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid +c1cc(ccc1[C@@H](CN)O)F 489 (1s)-2-amino-1-(4-fluorophenyl)ethanol +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl 48B 2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide +C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N 48C 5'-(d-alanylamino)-5'-deoxyuridine +C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C 48D (4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O 48E 5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N 48F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 48G n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 48H 2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid +c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl 48I [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +C(C(=O)O)(O)O 48J dihydroxyacetic acid +CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O 48K n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC 48L 4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N 48M 4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile +C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O 48N (2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid +CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N 48O 5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O 48P (1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O 48Q ~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide +C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C 48R (2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide +Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O 48S [(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 48T l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 48U 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide +C([C@@H](C(=O)N)N)SCC(=O)O 48V {[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid +C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 48W 6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide +C(COP(=O)(O)O)C(=O)O 48X 3-(phosphonooxy)propanoic acid +C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O 48Y (1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S 48Z 2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose +Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C 490 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C 491 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1cc(sc1)c2ccc(s2)CN 492 1-(2,2'-bithiophen-5-yl)methanamine +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 493 {4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 494 (2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1ccc2c(c1)C(=O)NN=C2Cl 495 4-chlorophthalazin-1(2h)-one +c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO 496 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 497 6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide +c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 498 p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N 499 5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N 49A 4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4 49B 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione +c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O 49C (1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one +C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49D 6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49E 6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COCC[C@@H]1CCCN1 49F (2s)-2-(2-methoxyethyl)pyrrolidine +Cn1ccc(n1)CNCCc2ccccc2 49G n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC 49H 4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2 49J 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline +CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F 49K n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine +CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4 49L n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine +CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 49M (1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol +c1cc(c(nc1)N2CCNCC2)C(F)(F)F 49N 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine +c1cc(c(nc1)N2CCNCC2)C#N 49O 2-(piperazin-1-yl)pyridine-3-carbonitrile +c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F 49P 1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol +c1ccc(cc1)COc2ccc(cc2)CCCO 49Q 3-[4-(benzyloxy)phenyl]propan-1-ol +CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1 49R tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O 49S 2-acetamido-2-deoxy-beta-d-mannopyranuronic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O 49T 2-acetamido-2-deoxy-alpha-d-fucopyranose +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N 49U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide +CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O 49V 2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O 49W n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O 49X (1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol +CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O 49Y (4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide +Cc1ccc(s1)CNCCc2ccccc2F 49Z 2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine +c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O 4A0 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol +CCCS(=O)(=O)Nc1ccccc1C(=O)O 4A1 2-[(propylsulfonyl)amino]benzoic acid +COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O 4A2 (2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid +c1cc(c(cc1C(=O)O)O)N 4A3 4-amino-3-hydroxybenzoic acid +c1c(c(nn1CC(=O)O)C2CC2)Br 4A5 (4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid +CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C 4A6 [(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium +CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC 4A7 2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide +CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC 4A8 n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 4A9 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide +c1cc(c(c(c1C(=O)O)N)O)Cl 4AA 4-chloro-3-hydroxyanthranilic acid +C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O 4AB 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4AC n(4)-acetylcytidine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N 4AD 4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4 4AE n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N 4AF 4-acetyl-l-phenylalanine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC 4AG (2r)-3-hydroxypropane-1,2-diyl dihexadecanoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 4AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 4AJ 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N 4AK n~6~-sulfo-l-lysine +c1cc(ccc1CN)CO 4AL [4-(aminomethyl)phenyl]methanol +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N 4AM 4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N 4AN 6-amino-benzo[de]isoquinoline-1,3-dione +CCOc1c2cccc(c2nc(n1)N=C(N)N)C 4AO 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine +c1c[nH+]ccc1N 4AP 4-aminopyridine +Cn1cccc1CNCCc2c[nH]c3c2cccc3 4AQ 2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine +Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C 4AR amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium +CNCc1nccn1C 4AS n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine +CC(=O)CCCC(=O)O 4AT 5-oxohexanoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3 4AU 1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone +CNCc1cc(ccc1Cl)[N+](=O)[O-] 4AV 1-(2-chloro-5-nitrophenyl)-n-methylmethanamine +c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1 4AW 4-azatryptophan +C1[C@H](C(=O)NO1)N 4AX (r)-4-amino-isoxazolidin-3-one +c1cc(ccc1CBr)C(=O)O 4AY 4-(bromomethyl)benzoic acid +c1cc(ccc1CN)C(=O)O 4AZ 4-(aminomethyl)benzoic acid +C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO 4B0 3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-] 4B1 n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3 4B2 (4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C 4B3 4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 4B5 n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5 4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O 4B8 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +c1cc(ccc1CNCCC(=O)O)C(=O)O 4BA 4-[(2-carboxy-ethylamino)-methyl]-benzoic acid +CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 4BB 4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4 4BC 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 4BD 5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br 4BE 4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF 4-bromo-l-phenylalanine +c1ccc(cc1)COc2ccc(cc2)NC(=O)CN 4BG n-[4-(benzyloxy)phenyl]glycinamide +c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3 4BH 4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol +Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C 4BI (2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid +CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC 4BJ n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide +Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C 4BK n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide +Cc1ccc2cc([nH]c2c1)C(=O)O 4BL 6-methyl-1h-indole-2-carboxylic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 4BM n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 4BN 3-oxo-4-pregnene-20-carboxyl-coenzyme a +c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N 4BO (3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid +c1cc(ccc1CBr)c2ccc(cc2)CBr 4BP 4,4'-bis(bromomethyl)biphenyl +c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N 4BQ (2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid +Cc1ccc(cc1)OCC[P@H](=O)[O-] 4BR 2-(4-methylphenoxy)ethylphosphinate +c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN 4BS 4-amino-n-[4-(benzyloxy)phenyl]butanamide +[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N 4BT 2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O 4BU (2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid +Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C 4BV n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4BW 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +c1ccc2c(c1)[nH]c(n2)CCC(=O)O 4BX 3-(1h-benzimidazol-2-yl)propanoic acid +Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY 5-methyl-1h-indole-2-carboxylic acid +[H]/N=C(\c1ccc(cc1)CO)/N 4BZ 4-(hydroxymethyl)benzamidine +c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4C0 3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C 4C1 n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide +Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F 4C2 n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C 4C4 myxopyronin b +COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N 4C5 (2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid +Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C 4C6 3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide +C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C 4C7 (3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate +c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br 4C8 2,4-dibromophenyl 2,4,6-tribromophenyl ether +CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 4C9 (2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O 4CA 4-hydroxybenzyl coenzyme a +B(c1ccc(cc1)C(=O)O)(O)O 4CB 4-carboxyphenylboronic acid +[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N 4CC n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine +Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl 4CD 4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 4CE (2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(ccc1C[C@@H](C(=O)O)N)C#N 4CF 4-cyano-l-phenylalanine +C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O 4CG (1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid +c1cc(ccc1O)Cl 4CH 4-chlorophenol +c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O 4CK 4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid +c1cc(c(cc1Cl)O)O 4CL 4-chlorobenzene-1,2-diol +C[P@](=O)(c1ccc(cc1)C(=N)N)O 4CM (4-carbamimidoylphenyl)-methyl-phosphinic acid +Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C 4CN 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O 4CO 4-hydroxyphenacyl coenzyme a +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl 4CP 2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O 4CQ 6-o-alpha-d-glucosyl-beta-cyclodextrin +CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C 4CR (1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium +CC1=N[C@@H](CCN1)C(=O)O 4CS (4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl 4CT (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol +CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C 4CU (~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4 4CV 3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2 4CW n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C 4CX n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C(CSC#N)[C@@H](C(=O)O)N 4CY nitrilo-l-methionine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4 4CZ 2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide +c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 4D0 n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 4D1 n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3 4D2 5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +COC(=O)/C=C(\C#N)/c1ccc(cc1)F 4D3 methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate +[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O 4D4 (2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4D5 methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate +B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O 4D6 vaborbactam +Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4D7 3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C 4D8 (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid +c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4D9 3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N 4DB (2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid +CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3 4DC (2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide +C[C@H](CCc1ccccc1)N 4DD (2r)-4-phenylbutan-2-amine +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C 4DE 1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl 4DF 5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N 4DG 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4DH 3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine +[H]/N=C(\N)/SCCCCN(C)C 4DI 4-(dimethylamino)butyl imidothiocarbamate +Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DJ 3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol +Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DK 3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol +c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DL 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol +Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O 4DM (4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide +c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DN 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol +CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DO n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N 4DP 3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DQ n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S 4DS 4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F 4DT 3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol +c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4DU 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine +Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C 4DV 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O 4DW n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid +C[C@H]1CCCC[C@@H]1O 4DX (1s,2s)-2-methylcyclohexanol +CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O 4DY (6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide +c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl 4DZ 2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile +CCCCCCCCCCCCCCCCOP(=O)(CCCC)F 4E0 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane +c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O 4E1 10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl 4E2 10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br 4E3 10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +CCC(CC)(CO)C(=O)Nc1ccc(nc1)C 4E4 2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide +c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O 4E5 (3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline +CCCCCCCCC/C=C/C=C/CC=C 4E6 (4e,6e)-hexadeca-1,4,6-triene +CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O 4E7 (3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline +c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3 4E8 3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 4E9 2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N 4EA (1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine +Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F 4EB 4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide +Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3 4ED 5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole +CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC 4EE 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4 4EF 3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +COC(=O)/C=C(\C#N)/c1ccccc1 4EG methyl (2z)-3-cyano-3-phenylprop-2-enoate +c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N 4EH (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N 4EJ 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile +c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F 4EK 6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine +Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC 4EL 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O 4EM (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate +c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4EN [(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EO 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EP 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O 4EQ 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc(c(c1)c2nc(nc(n2)N)N)Cl 4ER 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-] 4ES 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine +c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O 4ET (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(ccc1C(=O)c2ccc(cc2O)O)O 4EU (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O 4EV (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl 4EW 2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine +B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O 4EX (3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol +C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S 4EY 1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid +CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO 4EZ {[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol +CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N 4F0 (3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O 4F1 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4 4F2 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea +C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O 4F3 [2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5 4F4 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide +CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3 4F5 n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide +c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N 4F6 4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile +c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3 4F7 2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline +c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O 4F8 2-phenyl-1h-imidazole-4,5-dicarboxylic acid +c1cnccc1c2cnc[nH]2 4F9 4-(1h-imidazol-5-yl)pyridine +c1cc(ccc1CCO)F 4FA 4-fluorophenethyl alcohol +C1[C@@H](CN[C@@H]1C(=O)O)F 4FB (4s)-4-fluoro-l-proline +c1cc(ccc1c2ccc(cc2)F)C(=O)O 4FC 4'-fluoro-1,1'-biphenyl-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cn2)C(=O)N 4FD 6-(benzylamino)pyridine-3-carboxamide +COc1ccc(cc1O)\C=C\C(=O)O 4FE (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid +Cc1c(nc([nH]1)c2ccccc2)C(=O)O 4FF 5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid +c1cc(ncc1C(=O)N)N 4FG 6-aminopyridine-3-carboxamide +C1=CN(C(=S)C=C1C(F)(F)F)O 4FH 1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O 4FI (2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid +Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7 4FJ 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine] +c1cnccc1c2[nH]ccn2 4FL 4-(1h-imidazol-2-yl)pyridine +c1cc(ccc1CNC(=O)c2c(non2)N)Cl 4FM 4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4 4FN n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide +C(CN)[C@H](C(=O)O)N 4FO (2r)-2,4-diaminobutanoic acid +c1cc(ccc1CC2CCNCC2)F 4FP 4-(4-fluorobenzyl)piperidine +CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O 4FQ 4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C 4FR 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide +c1ccc2c(c1)cc(cn2)N 4FS quinolin-3-amine +c1ccc2cnncc2c1 4FT phthalazine +C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O 4FU (1r,2s)-cyclohexane-1,2-dicarboxylic acid +C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O 4FV 4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide +c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N 4FW 4-fluorotryptophane +COc1ccccc1CNc2ccc(cn2)C(=O)N 4FX 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O 4FY 4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid +[H]/N=C(\c1ccc(cc1)C=O)/N 4FZ 4-formylbenzenecarboximidamide +CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N 4G0 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 4G1 n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O 4G2 2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid +c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N 4G3 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide +CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N 4G4 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O 4G5 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CC(C)(CN)N 4G6 2-methylpropane-1,2-diamine +c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid +c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O 4G8 4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl 4G9 2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide +CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O 4GA 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium +CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2 4GB n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O 4GC beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 4GD n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O 4GE 5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid +CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6 4GF n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 4GG 2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 4GH n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-] 4GI 3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate +c1cnccc1SSC[C@@H](C(=O)O)N 4GJ 3-(pyridin-4-yldisulfanyl)-l-alanine +Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C 4GK 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline +C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O 4GL alpha-d-gulopyranose +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O 4GM 6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NCC2CCCC2 4GN 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NC2CCCC2 4GO 6-(cyclopentylamino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O 4GP n-(carboxycarbonyl)-beta-d-glucopyranosylamine +c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O 4GQ n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4GR methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +C1CNCCC1NC(=O)c2c(non2)N 4GS 4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide +c1c(c(nc(n1)NC2CCCC2)N)C(=O)N 4GT 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide +c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F 4GU n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 4GW 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate) +c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N 4GX (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone +C1CCC(CC1)CNC(=O)c2c(non2)N 4GY 4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide +Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N 4GZ 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide +c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F 4H0 (3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid +c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN 4H1 6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide +CC1=CC(=S)NC=C1 4H2 4-methylpyridine-2(1h)-thione +c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO 4H3 6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide +c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N 4H4 4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide +COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl 4H5 (1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3 4H6 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide +CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N 4H7 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide +CC(C)(C)CNc1ncc(c(n1)N)C(=O)N 4H8 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide +COc1ccc(cc1)C(=O)n2c(ncn2)N 4H9 (5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone +C(CCO)C[NH3+] 4HA 4-hydroxybutan-1-aminium +c1cc(ccc1c2ccc(cc2)O)O 4HB 4,4'-dihydroxybiphenyl +c1ccc2c(c1)C(=CC(=O)O2)O 4HC 4-hydroxy-2h-chromen-2-one +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O 4HD (4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C 4HE (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron +c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 4HF n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid +c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I 4HG n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O 4HH o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3 4HI (3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O 4HJ o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N 4HK 5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile +c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O 4HL (6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate +COc1cc(ccc1O)OO 4HM 4-hydroperoxy-2-methoxy-phenol +CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N 4HN 2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile +CC1=CC(=O)N(C=C1)O 4HO 1-hydroxy-4-methylpyridin-2(1h)-one +c1cc(ccc1CC(=O)O)O 4HP 4-hydroxyphenylacetate +CN1CCN(CC1)C(=O)c2c(non2)N 4HQ (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone +c1ccc(c(c1)CO)Br 4HR (2-bromophenyl)methanol +C1=CC(=O)NC=C1Br 4HS 5-bromopyridin-2(1h)-one +c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N 4HT 4-hydroxytryptophan +c1cc(nc(c1)Br)CO 4HU (6-bromopyridin-2-yl)methanol +COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO 4HV n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide +c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N 4HW n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-] 4HX (4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide +c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O 4HY [4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid +C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 4HZ n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide +[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O 4I4 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N 4I5 (6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide +COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 4I7 (4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +COC(=O)c1ccc2c(c1)OC(=O)N2 4I8 methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate +Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3 4I9 5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate +CC(C)c1ccc(cc1)C(=O)O 4IA 4-propan-2-ylbenzoic acid +CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I 4IB tetraiodobisphenola +c1c(nc[nH]1)/C=C/CC(=O)O 4IC (3e)-4-(1h-imidazol-4-yl)but-3-enoic acid +Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F 4ID 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC 4IG (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one +CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 4IH ~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-] 4II (2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid +c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl 4IJ 5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N 4IK (2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid +c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N 4IN 4-amino-l-tryptophan +c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-] 4IO 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4IP inositol-(1,3,4,5)-tetrakisphosphate +Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N 4IQ 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide +C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C 4IR {n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC 4IT n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 4IU 2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid +c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O 4IX (2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J0 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N 4J2 (2r)-2-amino-3-(naphthalen-2-yl)propanoic acid +NOS(=O)(=O)N 4J3 amino(aminooxy)sulfane dioxide +c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F 4J4 s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine +C(CNC(=[NH2+])N)[C@@H](C(=O)O)N 4J5 amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O 4J6 (4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid +Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC 4J7 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine +Cc1ccc(cc1)S(=O)(=O)N 4J8 4-methylbenzenesulfonamide +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J9 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O 4JA (2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate +CCc1ccc(cc1)S(=O)(=O)N 4JC 4-ethylbenzenesulfonamide +CCCc1ccc(cc1)S(=O)(=O)N 4JE 4-propylbenzenesulfonamide +CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC 4JF (1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C 4JG 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone +c1cc(cc(c1)Br)CN 4JH 1-(3-bromophenyl)methanamine +c1cc(c(cc1Cl)N)N 4JJ 4-chlorobenzene-1,2-diamine +[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N 4JK (s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid +c1cc(ccc1CO)Cl 4JL (4-chlorophenyl)methanol +CSc1ccc(cc1)N 4JM 4-(methylsulfanyl)aniline +c1cc(ncc1N)Br 4JN 6-bromopyridin-3-amine +Cc1c(ccc(n1)N)Br 4JO 5-bromo-6-methylpyridin-2-amine +c1cc2c(cc[nH]2)nc1 4JP 1h-pyrrolo[3,2-b]pyridine +c1cc2c(cc1N)C=CC(=O)O2 4JQ 6-amino-2h-chromen-2-one +Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5 4JR 2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one +CCC(=O)Nc1cc2ccccc2nc1 4JS n-(quinolin-3-yl)propanamide +c1ccc2c(c1)N=C(CS2)N 4JT 2h-1,4-benzothiazin-3-amine +CC1CCC(CC1)N 4JU trans-4-methylcyclohexanamine +Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N 4JV 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine +CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2 4JW (2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide +Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C 4JX n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N 4JY 4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide +Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C 4JZ 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea +c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N 4K0 4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N 4K1 2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide +c1cc2cccnc2c(c1)OC(=O)N3CCCCC3 4K2 quinolin-8-yl piperidine-1-carboxylate +c1ccc(cc1)NC(=O)CCS 4K3 n-phenyl-3-sulfanylpropanamide +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C 4K4 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4 4K5 (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone +Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4 4K6 n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl 4K7 (5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide +c1ccc2cnc(cc2c1)C(=O)O 4K8 isoquinoline-3-carboxylic acid +c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N 4K9 4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide +Cc1c2c(c[nH]n2)[nH]n1 4KA 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole +c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N 4KB 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide +c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KC 4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide +COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KD 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O 4KE (3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid +CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O 4KF (2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid +c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N 4KG 2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one +c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F 4KH 2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide +[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC 4KJ (5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3 4KK 2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +c1cc2c(cc(nc2c(c1)O)C(=O)O)O 4KL xanthuric acid +CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F 4KM tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate +c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F 4KN 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O 4KO (6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7 4KP 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine +CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O 4KQ 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O 4KR 7-aminocephalosporanic acid +COc1ccc(cc1)O 4KS 4-methoxyphenol +COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N 4KT 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile +c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS 4KU 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid} +CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl 4KV 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O 4KX 1,5 dienoyl-coa +CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C 4KY (4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline +B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O 4KZ n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O 4L0 (4r)-1-acetyl-4-(hexyloxy)-l-proline +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6 4L1 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole +CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C 4L2 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C 4L3 tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate +C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O 4L4 hygromycin a +CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N 4L5 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide +Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N 4L6 4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide +c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O 4L7 7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one +CC(C)C[C@H](CN)C(=O)O 4L8 (2r)-2-(aminomethyl)-4-methylpentanoic acid +C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F 4L9 n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C 4LA (r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl 4LB trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid +Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6 4LC 3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile +Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC 4LD 1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole +[C@@H](C(F)(F)F)(OC(F)F)Cl 4LE (2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane +c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O 4LF n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC 4LG methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl 4LH n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC 4LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide +C(CN)CBr 4LJ 1.7.6 3-bromanylpropan-1-amine +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O 4LK 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one +CCCCNc1ccc2cccc(c2n1)O 4LL 2-(butylamino)quinolin-8-ol +C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 4LM (2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid +Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O 4LN n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C 4LO n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C 4LP 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one +CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4 4LQ 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide +CC(=CCOP(=O)(O)O)C 4LR dimethylallyl monophosphate +Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 4LS 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol +C[C@H](C(=O)O)F 4LT (2r)-2-fluoropropanoic acid +Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C 4LU 1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol +C/C(=C\c1ccccc1)/C(=O)O 4LV (2e)-2-methyl-3-phenylprop-2-enoic acid +c1ccc(cc1)/C=C(/C(=O)O)\F 4LW (2z)-2-fluoro-3-phenylprop-2-enoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 4LX n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F 4LY [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile +c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N 4LZ o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine +Cc1ccc(c(c1)N)C(=O)O 4M0 2-azanyl-4-methyl-benzoic acid +Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5 4M1 2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC 4M2 3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine +[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N 4M3 n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine +COc1cc(ccc1O)C=C 4M4 2-methoxy-4-vinylphenol +CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 4M5 (4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5 4M6 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O 4M7 (1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide +CO[P@](=O)(CC[C@@H](C(=O)O)N)O 4M8 (2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid +[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O 4M9 (4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide +Cc1ccc(cc1)C(=O)O 4MA 4-methylbenzoic acid +CS(=O)(=O)Nc1ccc(cc1)C(=O)O 4MB 4-[(methylsulfonyl)amino]benzoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 4MC (z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e +C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N 4MD n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide +COC(=O)c1cccc2c1cc[nH]2 4ME methyl 1h-indole-4-carboxylate +Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4MF 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole +Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C 4MG 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N 4MH 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide +CSc1ccc(cc1)C(=O)O 4MI 4-methylsulfanylbenzoic acid +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C 4MJ 1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol +Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl 4MK 5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine +C[C@@]1(C=CC(=O)O1)CC(=O)O 4ML [(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@@H](CCSC)C(=O)O 4MM n,n,n-trimethylmethionine +Cc1ccc(cc1)N 4MN 4-methylaniline +[Mo+4] 4MO molybdenum(iv) ion +COc1ccc(cc1)C(=O)N2CCCC2=O 4MP 1-(4-methoxybenzoyl)-2-pyrrolidinone +CN1CCCN(CC1)c2c3ccccc3ncn2 4MQ 4-(4-methyl-1,4-diazepan-1-yl)quinazoline +c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5 4MR 5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O 4MS n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide +c1cc(ccc1CCNC=S)O 4MT n-[2-(4-hydroxyphenyl)ethyl]thioformamide +CC1=CC(=O)Oc2c1ccc(c2)O 4MU 7-hydroxy-4-methyl-2h-chromen-2-one +CC(C)CCC(=O)O 4MV 4-methyl valeric acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C 4MW 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide +CCCCCc1cc(cc(c1C(=O)O)O)O 4MX 2,4-bis(oxidanyl)-6-pentyl-benzoic acid +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O 4MY myo inositol 3,4,5,6 tetrakisphosphate +Cc1c[nH]cn1 4MZ 4-methylimidazole +Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC 4N1 4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 4N2 beta-l-idopyranose +CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O 4N3 n-octanoyl-d-valine +CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl 4N5 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone +c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO 4N6 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol +Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O 4N7 1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline +c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O 4N8 1-[(furan-2-ylmethyl)carbamothioyl]-l-proline +c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N 4N9 1-[(4-cyanobenzyl)carbamothioyl]-l-proline +c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O 4NA 1-chloro-6-(4-hydroxyphenyl)-2-naphthol +c1cc(ccc1C(=O)O)[N+](=O)[O-] 4NB 4-nitrobenzoic acid +c1cc(c(cc1[N+](=O)[O-])O)O 4NC 4-nitrocatechol +c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N 4ND n4-(n,n-diphenylcarbamoyl)-aminoguanidine +CCCC[P+](CCCC)(CCCC)CCCC 4NE tetrabutylphosphonium +c1cc(ccc1NC=S)[N+](=O)[O-] 4NF n-(4-nitrophenyl)thioformamide +C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O 4NG [(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C 4NH 4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +C(CC(=O)O)C[N+](=O)[O-] 4NI 4-nitrobutanoic acid +CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl 4NJ (5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one +C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O 4NK (1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium +c1cc(ccc1N)O 4NL 4-aminophenol +c1cc(ccc1CS)[N+](=O)O 4NM 4-nitrophenyl methanethiol +CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O 4NN n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O 4NO 4-nitro-2-phosphonobenzoic acid +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O 4NP 4-nitrophenyl phosphate +c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F 4NR 5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O 4NS 4-nitrophenyl sulfate +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O 4NT [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O 4NU {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl 4NX (5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one +c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F 4NY 4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid +c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N 4NZ 4-nitrobenzenesulfonamide +Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O 4O0 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid +C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O1 n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O 4O2 3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O 4O3 (11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione +CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O4 6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide +CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 4O5 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl 4O6 (e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC 4O7 (5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F 4O8 {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F 4O9 {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C 4OA (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid +c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO 4OB n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 4OC 4n,o2'-methylcytidine-5'-monophosphate +c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO 4OD n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F 4OE 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole +CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F 4OF n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N 4OG 3-(1-benzothiophen-3-yl)-l-alanine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O 4OH (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol +c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3 4OI (1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide +Cc1ccccc1OP(=O)(O)O 4OJ (2-methylphenyl) dihydrogen phosphate +c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl 4OK 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide +C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O 4OL n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] +CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F 4ON 5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N 4OO 4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine +C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C 4OP (2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl 4OQ 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl 4OR (s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide +COc1ccc(cc1)S(=O)(=O)O 4OS 4-methoxybenzenesulfonic acid +Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5 4OT [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone +C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N 4OU 4-(acryloylamino)-l-phenylalanine +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 4OV (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C 4OW n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +C(CCC(=O)CCC(=O)O)CCC(=O)O 4OX 4-oxodecanedioic acid +COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O 4OZ methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate +CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 4P0 1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone +CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl 4P1 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide +C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8 4P2 (3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide +CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F 4P3 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide +c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5 4P4 8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide +c1coc2c1[nH]c(c2)C(=O)O 4P5 4h-furo[3,2-b]pyrrole-5-carboxylic acid +c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3 4P6 (3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3 4P7 (3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl 4P8 5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde +c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl 4P9 4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol +CCCOC(=O)C 4PA propyl acetate +C(CC(=O)NO)CP(=O)([O-])[O-] 4PB n-hydroxy-4-phosphono-butanamide +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PC 3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PD 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol +C[C@H](COC[C@@H](C)OCCOC)N 4PF (2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine +[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2 4PG 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine +Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH 4-methyl-l-phenylalanine +Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3 4PI n-(4-methylbenzoyl)-4-benzylpiperidine +CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O 4PJ 2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2 4PK n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide +Cc1c(c2c(cn1)COC2=O)O 4PL 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one +C1CCN(CC1)C2CCNCC2 4PN 4-piperidino-piperidine +CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-] 4PO alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone +c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N 4PP (2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid +c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N 4PQ 5-hydroxy-l-tryptophan +CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C 4PR (3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate +CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4PS 4'-diphospho pantetheine +CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4PT (2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate +[Pu+4] 4PU plutonium ion +CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F 4PV 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine +C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O 4PW levoglucosan +CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O 4PX 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione +c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4 4PY (2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1c[nH]nc1 4PZ 4-methyl-1h-pyrazole +CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC 4Q0 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione +CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C 4Q1 fumitremorgen b +C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3 4Q2 (2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide +CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F 4Q3 n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide +Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl 4Q4 {3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 4Q5 n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q7 2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q9 2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QA 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one +CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O 4QB 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid +CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O 4QC 3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide +C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QD 8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one +Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4 4QE 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine +C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5 4QF (5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one +c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N 4QG 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC 4QH 3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl 4QI (4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one +CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7 4QJ (11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one +c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN 4QK 6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine +CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I 4QL 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 4QM (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl 4QO 2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide +CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4QP (2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N 4QQ 4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC 4QS [(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1(c(c(c(c(c1Br)OO)Br)OO)Br)N 4QT 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide +c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O 4QV 5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one +Cn1cncc1/C=C/2\CCN=C2c3cccnc3 4QW 3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine +CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl 4QX 3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 4QY 2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose +C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl 4QZ 3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide +Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N 4R0 3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O 4R1 2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose +[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C 4R2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F 4R5 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 4R7 methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O 4R8 (6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O 4RA [(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O 4RB 4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid +c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F 4RC n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F 4RD n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC 4RF tripalmitoylglycerol +c1ccc(cc1)OCc2cccc(c2)C(=O)O 4RG 3-(phenoxymethyl)benzoic acid +C[C@H](COCCOC)N 4RH (2~{r})-1-(2-methoxyethoxy)propan-2-amine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C 4RJ 6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C 4RK (2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2 4RL n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC 4RM (2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one +C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2 4RN (2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F 4RO n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl 4RP n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F 4RQ n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4RR (4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 4RS trehalose mono-butyrate +CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F 4RT (1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1ccc2c(c1)c(c(nn2)C(=O)N)N 4RU 4-aminocinnoline-3-carboxamide +Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N 4RV 4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide +C1CC[C@@H]2[C@H](C1)CSC(=N2)N 4RW (4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N 4RX n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N 4RY n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N 4RZ n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N 4S0 dendron d2-1 +CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3 4S1 (1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO 4S2 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5 4S3 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one +c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br 4S4 n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine +CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O 4S7 1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4S8 n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO 4S9 tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO 4SA tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O 4SB (2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O 4SC 2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate) +C(C#N)C(CC#N)O 4SD 3-hydroxypentanedinitrile +CC(C)[C@@H](/C=C(/C)\C(=O)O)NC 4SF (2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O 4SG 4-thio-alpha-d-glucopyranose +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3 4SH n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(c1ccccc1)[C@@H](C(=O)O)NC 4SJ n,beta,beta-trimethyl-l-phenylalanine +CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC 4SL n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide +[S-][Mo](=S)(=S)[S-] 4SM tetrathiomolybdate +CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 4SN (6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol +c1cc(ccc1C(=O)O)S(=O)(=O)N 4SO 4-sulfamoylbenzoic acid +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N 4SP o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine +C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O 4SQ tetraglycine phosphinate +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4SR (4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl 4SS (s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC 4ST 1,2,3,4-tetrahydrogen-staurosporine +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4SU 4-thiouridine-5'-monophosphate +c1cncc(c1C(=O)O)N 4SV 3-aminopyridine-4-carboxylic acid +C[C@@H](CO[C@H](C)COCCOC)N 4SW (2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +c1cc(c(cc1S(=O)(=O)O)O)O 4SX 3,4-dihydroxybenzenesulfonic acid +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4SY tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4SZ tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C 4T0 n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide +c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N 4T1 (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4T2 tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate +c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N 4T3 2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine +CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C 4T4 (s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N 4T5 n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2 4T6 n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +c1ccc2cc(ccc2c1)[C@H](CO)O 4T7 (1r)-1-(naphthalen-2-yl)ethane-1,2-diol +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O 4T8 5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine +COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2 4T9 n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O 4TA p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate +c1cc(sc1)CCCC(=O)O 4TB 4-(2-thienyl)butyric acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N 4TC p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate +C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O 4TD (2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol +C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O 4TE (1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O 4TF (1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O 4TG dtdp-4,6-dideoxy-4-formamido-glucose +CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5 4TH (s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +[Ti+4] 4TI titanium ion +CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C 4TJ 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TK n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4TL n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO 4TM n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide +CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 4TN (2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid +c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6 4TO (4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide +C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O 4TP 4-hydroxy-l-threonine-5-monophosphate +C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C 4TQ (3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3 4TR 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3 4TT 4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole +c1cc2c(cc1Cl)CCN2C(=O)N 4TU 5-chloranyl-2,3-dihydroindole-1-carboxamide +Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl 4TV 8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F 4TW n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide +Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C 4TX 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid +CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TY tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N 4TZ 4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O 4U0 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O 4U1 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O 4U2 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O 4U3 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4U5 n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4U6 n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide +[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O 4U7 [(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) +CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C 4U8 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid +c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F 4U9 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine +Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4 4UA 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide +c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4 4UB 3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C 4UC n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide +C1C=NO[C@@H]1[C@@H](C(=O)O)N 4UD (2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C 4UE ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O 4UF 4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid +C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N 4UG (2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile +C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O 4UH (1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid +c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl 4UJ 2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide +CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F 4UK n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide +Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F 4UL 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide +CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N 4UM ethyl 5-carbamoyl-1h-indole-2-carboxylate +Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C 4UN {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O 4UO 2,3-dihydroxanthosine +[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N 4UP 6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide +CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N 4UQ 6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4UR 3'2'-cgamp +CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl 4US 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide +CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC 4UT 4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N 4UU 5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N 4UV 5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine +COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 4UW 5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N 4UX (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC 4UY (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O 4UZ 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose +C1C=C(C=CN=C1)C[C@@H](C(=O)O)N 4V0 3-(3h-azepin-5-yl)-l-alanine +Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2 4V1 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one +c1cc(cc(c1)O)c2nnc(o2)S 4V2 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol +c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O 4V3 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose +Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC 4V4 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O 4V5 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose +C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C 4V6 (3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F 4V7 n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide +c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3 4V8 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2 4V9 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N 4VA (2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4 4VB 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl 4VC 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F 4VD n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F 4VE n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide +c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VF 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VG 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO 4VH n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide +[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O 4VI (2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O 4VJ 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO 4VK n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F 4VL 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO 4VM 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl 4VN 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC 4VO (2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol +C=Cc1ccc(cc1)O 4VP 4-ethenylphenol +Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 4VQ 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid +CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1 4VR 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one +CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1 4VS 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2 4VT 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(cnc1)[C@H]2CC3CCN2CC3 4VU (2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane +C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2 4VV (z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine) +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N 4VW 5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +CN(CCO)c1ccc(cn1)Br 4VY 2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol +CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2 4VZ (5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F 4W0 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one +c1ccc2c(c1)c(cs2)CO 4W1 1-benzothiophen-3-ylmethanol +CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1 4W4 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCOC(=O)c1ccc2c(c1)c[nH]n2 4W5 ethyl 2h-indazole-5-carboxylate +CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 4W6 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C 4W8 (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C 4W9 (4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione +c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N 4WA 4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide +C1CCC(CC1)C[C@@H](C(=O)O)O 4WC (s)-cyclohexyl lactic acid +COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2 4WD (5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F 4WE 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O 4WF 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O 4WG 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C 4WH 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 4WI (1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cn(n1)C2CC[NH2+]CC2)Br 4WJ 4-(4-bromo-1h-pyrazol-1-yl)piperidinium +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+] 4WK (2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium +c1csc2c1[nH]c(c2)C(=O)O 4WL 4h-thieno[3,2-b]pyrole-5-carboxylic acid +CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O 4WM (4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol +Cn1ccnc1CCN2CCc3cccc(c3C2)N 4WN 2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +COC(=O)CCN1CCc2cccc(c2C1)N 4WO methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate +COC(=O)CCN1CCc2ccccc2C1 4WP methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate +CC(C)(C)CCCC[C@@H](C(=O)O)N 4WQ (2s)-2-amino-7,7-dimethyloctanoic acid +C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F 4WR 1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O 4WS n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide +CC1(CNCc2c1cccc2)C 4WT 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline +c1cc2c(c(c1)N)CNCC2 4WU 1,2,3,4-tetrahydroisoquinolin-8-amine +C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WV bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+) +C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+] 4WW bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+) +C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WX bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+) +C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 4WY {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 4WZ {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) +c1ccc2c(c1)CCN(C2)CCCN 4X1 3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O 4X2 (2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid +CCN1CCc2c(cccc2N)C1 4X3 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine +COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5 4X4 n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide +CN1CCc2c(cccc2N)C1 4X6 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N 4X7 (2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid +Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N 4X8 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 4X9 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4 4XA 3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC 4XB 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate +CNC(=O)CCN1CCc2cccc(c2C1)N 4XC 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide +COCCN1CCc2cccc(c2C1)N 4XD 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine +C1CCN(CC1)C(=O)CN2CC[NH2+]CC2 4XE 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium +C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+] 4XF (2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium +CN(C)CCCN1CCc2cccc(c2C1)N 4XG 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(cccn2)c(c1)Br 4XH 5-bromoquinoline +COCC(COC)N1CCc2cccc(c2C1)N 4XJ 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3 4XK 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine +c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3 4XL 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3 4XM 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7 4XN 6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one +Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 4XO 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile +Cn1cc(nn1)CCCc2cn(nn2)C 4XP 4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole) +CCCn1cc(nn1)CCCCCc2cn(nn2)CCC 4XQ 4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole) +C1C=C(O[C@@H]([C@@H]1N)O)CN 4XR (2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol +Cc1c(nc(nc1Cl)C2CC2)Cl 4XS 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine +Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C 4XU 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)N 4XV 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine +C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C 4XW (5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid +CC1=C(C(=O)CO1)O 4XX 4-hydroxy-5-methylfuran-3(2h)-one +CCCNc1c(c(nc(n1)C2CC2)Cl)C 4XY 6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine +COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3 4Y0 3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide +Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C 4Y1 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C 4Y2 6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine +C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 4Y3 [[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O 4Y4 1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F 4Y5 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid +C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O 4Y6 (1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F 4Y7 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid +CC(=O)CO 4Y8 1-hydroxypropan-2-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O 4YA hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O 4YB 5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C 4YC (2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2 4YD (2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3 4YE (2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl 4YF (2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C 4YG (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC 4YH (2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile +COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3 4YI 2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide +COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 4YK 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C 4YL (2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N 4YM ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C 4YN (2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +c1cc2c(cc1Br)NCC(=O)N2 4YO 6-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C 4YP 2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione +C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 4YQ 4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F 4YR n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide +c1ccc2c(c1)C=CNC2=O 4YS isoquinolin-1(2h)-one +CCc1nnc2n1c3cc(ccc3c(c2)C)OC 4YT 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline +Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC 4YU methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5 4YV 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C 4YW 2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC 4YX n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 4YY n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1cc(ccc1SCCC(=O)O)Cl 4YZ 3-[(4-chlorophenyl)sulfanyl]propanoic acid +c1cc(sc1)C(=O)OC=CC(=O)C(=O)O 4Z0 (3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid +c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O 4Z1 [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O 4Z2 2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide +c1ccc(c(c1)NC(=O)C=NO)Br 4Z3 (2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide +c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 2,4-dichloro-5-fluorobenzoic acid +Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N 4Z8 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O 4Z9 (2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid +c1csc2c1cc([nH]2)C(=O)O 4ZA 6h-thieno[2,3-b]pyrrole-5-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N 4ZB (3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide +c1cc(c(cc1Cl)C#N)O 4ZC 5-chloro-2-hydroxybenzonitrile +c1ccc(cc1)SC=CC(=O)O 4ZD (2e)-3-(phenylsulfanyl)prop-2-enoic acid +Cc1cc(ccc1O)N 4ZE 4-amino-2-methylphenol +c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2 4ZF (5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C 4ZG n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C 4ZH 2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC 4ZJ n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N 4ZK 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine +CCOC(=O)CNC(=O)NCc1ccccc1 4ZL ethyl n-(benzylcarbamoyl)glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 4ZM ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate +CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4ZN (2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C 4ZO ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2 4ZP ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O 4ZQ (1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O 4ZR (1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F 4ZS n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide +CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N 4ZT ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate +c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU 6-bromanyl-1h-indole-2-carboxylic acid +c1cc2c(cc[nH]2)cc1C(=O)O 4ZV 1h-indole-5-carboxylic acid +c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2 4ZW 2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide +c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6 4ZX 6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide +c1cc(ccc1CN)N 4ZY 4-(aminomethyl)aniline +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N 4ZZ ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate +CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C 501 n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine +CCOC(=O)CNC(=O)NCc1ccnc(c1)N 502 ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate +COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4 503 [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 504 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide +Cc1cccc(c1OC[C@@H](C)N)C 505 (2r)-1-(2,6-dimethylphenoxy)propan-2-amine +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N 506 (2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4 507 1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone +c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6 508 (1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone +c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br 509 4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O 50A 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose +COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7 50B 13-diphenylalkyl berberine +Cc1c(n[nH]c1N)c2ccc(cc2)F 50C 3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine +c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5 50D 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile +CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3 50E n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine +c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5 50F 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile +c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N 50G dendron-d1 +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N 50H 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N 50I 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide +CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC 50J 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide +[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N 50K 2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide +C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N 50L [(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-] 50M (2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 50N (1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol +CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C 50O n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3 50P 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl 50Q 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol +CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I 50R 4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N 50T adenosine-5'-phosphovanadate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N 50U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6 50V n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6 50W n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F 50X (2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide +CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5 50Y n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +C=CCNc1nc(c(s1)C(=O)c2ccccn2)N 50Z [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone +COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N 510 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate +COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O 511 [1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid +c1c(c(c(s1)C(=O)O)OCC(=O)O)Br 512 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +c1cc2c(cc1Br)c(cs2)CN 513 1-(5-bromo-1-benzothiophen-3-yl)methanamine +CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3 514 (3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O 515 3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC 516 n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N 517 1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4 518 n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C 519 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea +c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 51A n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide +CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 51B 2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one +CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO 51C (6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol +c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N 51D 3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile +c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N 51E 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile +Cc1nccn1CCO 51F 2-(2-methyl-1h-imidazol-1-yl)ethanol +C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC 51G gentamicin c1 +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N 51H adenylyl-2"-tobramycin +CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N 51J 2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3 51K 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole +Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C 51M (3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O 51N 5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose +Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C 51O au(caffein-2-ylidene)2 +C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC 51P 5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O 51Q (2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid +c1cc(cc(c1)N)C(F)(F)F 51R 3-(trifluoromethyl)aniline +Cc1ccc(c(c1)C)N 51S 2,4-dimethylaniline +c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O 51T 2,3,6-trifluoro-l-tyrosine +Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 51U d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide +Cc1ccccc1N 51V 2-methylaniline +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I 51W n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O 51X (1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid +Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O 51Y 2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N 520 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide +c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl 521 5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C 522 peroxidized heme +CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 523 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) +CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 524 (2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide +CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 525 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 526 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br 527 5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 528 (2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4 529 (2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide +C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O 52A (2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid +c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl 52B (2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1ccc(c(c1)c2[nH]nnn2)Cl 52C 5-(2-chlorophenyl)-1h-tetrazole +c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3 52D pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F 52E 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol +c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O 52F 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N 52G zorbamycin +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 52H 5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine +CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one +CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 52K n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O 52L dahp oxime +c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 52M 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC 52N 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate +CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 52O pivalyl-coenzyme a +c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl 52P 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one +c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 52Q (1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 52R n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine +CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 52T (4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC 52U (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C 52V 5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52W (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC 52X methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate +COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 52Y methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52Z (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4 530 6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CC(=O)[C@H]1CCCN(C1)Cc2ccccc2 531 1-[(3s)-1-benzylpiperidin-3-yl]ethanone +CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4 532 (5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one +C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C 533 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N 534 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine +CCOC(=O)c1c(n2ccnc2s1)C 535 ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate +c1ccc(cc1)CN2CCCC(=C2)C(=O)N 536 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O 537 2,6-dihydroanthra/1,9-cd/pyrazol-6-one +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C 538 4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl 539 6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine +CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC 53A ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate +c1cc(nc(c1)O)C(=O)O 53B 6-hydroxypyridine-2-carboxylic acid +CC(=O)c1cccc(c1)O 53C 1-(3-hydroxyphenyl)ethanone +CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C 53D 1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide +c1cc(c2c(c1)OCCO2)C(=O)O 53E 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N 53F (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate +CN(C)C(=O)c1ccc2c(c1)nccn2 53G n,n-dimethylquinoxaline-6-carboxamide +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 53H 5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine +CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4 53K 2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol +C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O 53L (2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-] 53M (2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one +c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O 53N 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid +c1ccc(cc1)c2cccc(c2)n3ccnc3 53O 1-(biphenyl-3-yl)-1h-imidazole +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 53P (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile +CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3 53Q clomifene +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3 53R 5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C 53S 5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53T 5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N 53U d-phenylalanyl-n-benzyl-l-prolinamide +Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53V 5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC 53W 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole +CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O 53X 3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +c1ccc-2c(c1)NC(=O)c3n2ccc3 53Y pyrrolo[1,2-a]quinoxalin-4(5h)-one +c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N 53Z 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C 540 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline +Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C 541 (2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 542 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] 543 calcium ion, 6 waters plus ethanol coordinated +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C 544 2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N 545 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester +Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C 546 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine +c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5 547 2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C 548 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline +CC(C)n1cnc2c1ccc(c2)C(=O)O 549 1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F 54B 1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea +CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O 54C (betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan +COC(=O)c1cccs1 54D methyl thiophene-2-carboxylate +c1ccc(cc1)c2ccc(cc2Cl)CN 54E 1-(2-chlorobiphenyl-4-yl)methanamine +c1ccnc(c1)Oc2cccc(c2)N 54F 3-(pyridin-2-yloxy)aniline +Cc1ccc(c(c1)C(=O)O)O 54G 2-hydroxy-5-methylbenzoic acid +CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 54H 5'-o-(d-valylsulfamoyl)adenosine +C(/C=N/O)C(=O)O 54I (3e)-3-(hydroxyimino)propanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F 54J n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +Cc1cnc(c2c1nc[nH]2)N 54K 7-methyl-3h-imidazo[4,5-c]pyridin-4-amine +C#CCCC(=O)O 54L pent-4-ynoic acid +COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4 54M (5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine +Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F 54N 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one +C(CO)CS(=O)(=O)O 54O 3-hydroxypropane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCO 54P 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-] 54Q (2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione +CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 54R n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O 54S n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide +c1cc2c(cc1Cl)sc(n2)N 54T 6-chloro-1,3-benzothiazol-2-amine +CC(=O)N1CCN(CC1)c2ccc(cc2)O 54U 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone +CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC 54V methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate +CC(=O)NCCc1ccccc1 54W n-(2-phenylethyl)acetamide +c1cc(sc1)c2csc3c2C(=O)N=CN3 54X 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one +CNC(=O)c1cnn(c1Cl)C 54Y 5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide +c1cc(c(cc1CN)Cl)OC(F)(F)F 54Z 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine +Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC 550 methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate +COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate +c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F 552 (6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one +c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N 553 (7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O 555 4-(4-hydroxyphenyl)-1-naphthaldehyde oxime +c1cc(sc1)c2cnc3n2CCC3 556 3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO 557 n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide +Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 558 5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 559 5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 55A n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide +COc1cc(cc(c1O)OC)/C=C/CO 55B 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol +C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2 55C 2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid +CCCC(=O)Nc1c(ccs1)C(=O)N 55D 2-(butanoylamino)thiophene-3-carboxamide +Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 55E 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one +Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F 55F n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide +c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5 55G 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4 55H 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F 55I 4-(trifluoromethyl)-l-phenylalanine +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F 55J 1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O 55K 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 55L (r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate +C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3 55M (4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one +CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC 55N (2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid +C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O 55P (2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid +CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C 55Q (2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid +c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2 55R 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid +CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 55S 6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine +CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O 55T 5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine +CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN 55U n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine +Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC 55V 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine +Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC 55W 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 55X s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) +C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C 55Y (5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one +CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N 55Z 5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O 561 6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N 562 n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C 563 n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 564 6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid +C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 565 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one +c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 566 (3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N 567 2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO 568 n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F 569 (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one +c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N 56A 3-(8-phenyloctyl)-l-histidine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O 56B 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N 56C n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine +C[C@H](c1ccccc1)C(=O)C(=O)O 56D (3r)-2-oxo-3-phenylbutanoic acid +CCOC(=O)CNC(=O)c1cc(sc1)C 56E ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate +CNS(=O)(=O)Cc1ccc(cc1)Cl 56F 1-(4-chlorophenyl)-n-methylmethanesulfonamide +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C 56G n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 56H n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide +c1ccc2c(c1)-c3ccccc3C2CCC=O 56J 3-(9h-fluoren-9-yl)propanal +Cc1nc(cs1)c2cccc(c2)N 56K 3-(2-methyl-1,3-thiazol-4-yl)aniline +CC(C)C1C(=O)NC(=S)NC1=O 56L 5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O 56M 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 56N phenyl beta-d-galactopyranoside +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 56O n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO 56P n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO 56Q n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO 56R n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCCCCCCCCCCC(=O)OC(C)C 56S propan-2-yl dodecanoate +c1cc(oc1)CCN 56T 2-(furan-2-yl)ethanamine +c1ccc2c(c1)[nH]c(n2)C(F)F 56U 2-(difluoromethyl)-1h-benzimidazole +c1ccc2c(c1)nc3n2[C@@H](CS3)O 56V (3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol +CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O 56W (2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid +CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C 56Y 4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 56Z 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5 570 2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O 571 5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO 572 4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide +C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O 574 [(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite +c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br 575 (4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione +c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O 576 (3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid +CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 577 4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O 578 (5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C 579 4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide +CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C 57C 4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O 57D chrysin +CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C 57E 1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide +CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C 57F 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO 57G n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide +C=CCP(=O)(O)O 57H prop-2-en-1-ylphosphonic acid +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C 57J 6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C 57K tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C 57L 2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate +CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O 57M muraymycin d2 +c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O 57N (2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +Cc1c(nc(c(c1O)C)O)CC(=O)O 57O (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid +c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 57P 3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid +c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O 57Q 3-(2-phenyl-1h-indol-1-yl)propanoic acid +CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 57R (4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O 57S 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol +c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I 57T (2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO 57U 1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3 57V 1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea +CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4 57W 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea +CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O 57X 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O 57Y 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid +Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C 57Z 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea +Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F 580 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole +CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O 581 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O 582 5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one +c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O 583 4,4'-(1h-pyrazole-3,4-diyl)diphenol +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 584 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C 585 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC 586 n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide +CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C 587 c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C 588 2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid +c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6 589 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC 58A 5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N 58B l-alanyl-d-alpha-glutamine +c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5 58C cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC 58D (3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4 58E (5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I 58F p-iodo hoechst +c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N 58G 6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide +COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O 58H methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate +C(CC[NH3+])C[NH3+] 58I 4-azaniumylbutylazanium +CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O 58J 4-methoxydehydrocyclopeptin +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 58K cyclopeptin +c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2 58L demethylated cyclopeptin +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C 58N (4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 58O 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N 58P 1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile +Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N 58Q 6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N 58R 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide +CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2 58T 13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one +C[C@@H](CC(=O)C(=O)O)C(=O)CC=O 58U (4s)-4-methyl-2,5,7-trioxoheptanoic acid +c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6 58V (2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl 58W n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide +CC(=CCC/C(=C/C(=O)O)/C)C 58X (2e)-3,7-dimethylocta-2,6-dienoic acid +C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O 58Y (2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O 58Z 1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 590 9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 591 (5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one +Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5 592 n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide +CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4 593 (5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 594 9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC 595 n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O 596 (2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O 598 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid +c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl 599 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 59A n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine +c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5 59B morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC 59C [(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 59D (7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC 59E methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O 59F (2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O 59G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C 59H (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O 59J (2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F 59K 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O 59L 2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F 59M 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N 59N 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F 59Q 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N 59R 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC 59S (2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC 59T 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C 59U 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F 59V 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N 59W 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C 59X 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine +c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O 59Y 8-(naphthalen-1-yl)quinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O 59Z {2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C 5A0 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C 5A1 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A2 3,5-di-methylenebisphosphonate inositol tetrakisphosphate +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A3 methylenebisphosphonate inositol pentakisphosphate +C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN 5A6 (2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O 5A7 {(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5A8 5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5A9 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O 5AA n6-dimethyl-3'-amino-adenosine-5'-monophosphate +[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O 5AB [(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate +c1[nH]c(c(n1)C(=O)N)N 5AC 5-amino-1h-imidazole-4-carboxamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5AD 5'-deoxyadenosine +C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N 5AE 4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one +CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N 5AF 2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan +C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5AG 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC 5AH methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5AJ 5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AK 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 5AL 5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O 5AM benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate +c1c(cc(cc1F)F)N 5AN 3,5-difluoroaniline +c1cc(cc(c1)N)c2cnco2 5AO 3-(1,3-oxazol-5-yl)aniline +COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl 5AP 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine +c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AQ 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine +C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N 5AR (2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O 5AS 5'-o-(n-ethyl-sulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O 5AT 5'-amino-5'-deoxythymidine +c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 5AU di-glutathione-phenylarsine +Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl 5AV 5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine +C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C 5AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO 5AX 2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol +Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5 5AY n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine +C1=NC(=O)NC(=N1)N 5AZ 6-amino-1,3,5-triazin-2(1h)-one +Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O 5B0 {2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid +c1cc2c(cc1Br)c(n[nH]2)N 5B1 5-bromo-1h-indazol-3-amine +c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B2 5-phenyl-1h-indazol-3-amine +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B3 4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide +Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F 5B4 n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide +CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O 5B5 (3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O 5B6 [5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC 5B7 (3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O 5B8 (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate +c1ccc2c(c1)cccc2COc3ccccc3C(=O)O 5B9 2-(naphthalen-1-ylmethoxy)benzoic acid +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C 5BA 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one +CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br 5BB 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one +CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5 5BC (5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid +CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C 5BD n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] +Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C 5BE 3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide +c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2 5BF (11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5 5BG {3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N 5BH (2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide +c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O 5BJ 4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O 5BK 1h,1'h-4,4'-biindole-2-carboxylic acid +c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5 5BL 8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid +c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N 5BM (2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile +c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN 5BN 5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C 5BO 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4 5BP n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O 5BQ 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione +CCCCCBr 5BR 1-bromopentane +CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C 5BS 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O 5BT 5-bromo-2'-deoxycytidine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br 5BU 5-bromo-uridine-5'-monophosphate +CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN 5BV (2r,3r)-3-(glycyloxy)-2-methylnonanoic acid +c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O 5BW (2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC 5BX (5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O 5BY {2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O 5BZ [(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid +c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O 5C0 (2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one +c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl 5C1 5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide +CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1 5C2 1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN 5C3 4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5C4 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol +COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N 5C5 (2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5 5C6 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C 5C7 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3 5C8 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C 5C9 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N 5CA 5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine +c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl 5CB n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5CC 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N 5CD 5'-chloro-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O 5CE (1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F 5CF 5-fluorocytidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N 5CG 5'-chloro-5'-deoxy-guanosine +Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C 5CH 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N 5CI 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F 5CJ (1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O 5CK (1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl 5CL 1,2,3,4,5-pentachlorobenzene +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5CM 5-methyl-2'-deoxy-cytidine-5'-monophosphate +CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO 5CN 5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C 5CO 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4 5CP [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O 5CQ (1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol +CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 5CR n-acetyl-l-phenylalanine +C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 5CS 2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid +C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N 5CT hypusine +C1=C(C(=O)NC(=O)N1)C(=O)O 5CU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid +CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5 5CV 1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N 5CW 5-chloro-l-tryptophan +CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N 5CX 2'-(propan-2-yl)biphenyl-4-sulfonamide +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C 5CY 1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium +[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N 5CZ 2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide +c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4 5D0 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine +Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C 5D1 n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide +Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl 5D2 n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide +CC(=O)NCCCCCCNC(=O)C 5D4 n-(6-acetamidohexyl)acetamide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 5D5 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid +C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C 5D6 orthoformimycin +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N 5D7 prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate +[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N 5D8 ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC 5D9 ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC 5DA 1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine +CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5DB 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5DD [(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C 5DE 1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O 5DF 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F 5DG 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol +c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N 5DH 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile +C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O 5DI alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride +c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O 5DJ 4,4'-(2-phenylethene-1,1-diyl)diphenol +[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 5DK (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine +c1ncn(n1)C[C@@H](CP(=O)(O)O)O 5DL [(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N 5DM n-[(2s)-2-amino-3-phenylpropyl]-d-methionine +c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid +C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O 5DP 5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide +c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F 5DQ n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3 5DR 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N 5DS (r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F 5DT 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F 5DU 2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N 5DV methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate +C#Cc1ccc(cc1)C[C@@H](C(=O)O)N 5DW 4-ethynyl-l-phenylalanine +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br 5DX 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5DY 5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F 5DZ 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid +c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5E0 5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O 5E1 2-(3-bromophenyl)quinoline-4-carboxylic acid +c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O 5E2 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br 5E4 2-[(3-bromophenyl)amino]benzoic acid +Cc1c2cc(ncc2n[nH]1)c3cccnc3 5E5 3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine +c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5 5E6 (1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O 5E7 n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2 5E8 ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N 5E9 ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4 5EA 5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3 5EB ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C 5EC ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3 5ED ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl 5EE 5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 5EF 3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl 5EG 2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide +CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 5EH (3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5EJ 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one +c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl 5EK n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5 5EL 4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N 5EM n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O 5EN 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide +CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C 5EO 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N 5EP n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide +c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O 5EQ (2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O 5ER (2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid +c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O 5ES 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol +c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O 5ET 4,4'-thiene-2,5-diylbis(3-chlorophenol) +Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O 5EU 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) +Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC 5EV n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine +Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC 5EW 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3 5EX ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O 5EY (3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2 5EZ 7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N 5F1 5'-fluoro-2',5'-dideoxyadenosine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C 5F2 ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3 5F3 3,5-di(pyridin-4-yl)benzoic acid +CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl 5F4 4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide +c1cc(cc(c1)C(=O)O)c2nccs2 5F5 3-(1,3-thiazol-2-yl)benzoic acid +c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl 5F6 (2,6-dichlorophenyl)(quinolin-6-yl)methanone +CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl 5F7 n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine +c1cc(cc(c1)C(=O)O)c2cccnc2 5F8 3-(pyridin-3-yl)benzoic acid +CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 5F9 arachinoyl-coa +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N 5FA adenosine-5'-pentaphosphate +COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3 5FB 4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O 5FC 5-formyl-2'-deoxy-cytidine-5'-monophosphate +[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O 5FD 5'-fluoro-5'-deoxyadenosine +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FE 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F 5FF (5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2 5FH (5s)-5-benzylimidazolidine-2,4-dione +CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F 5FI 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole +CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F 5FJ n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F 5FK (5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(cc(c1)C(=O)O)c2ccncc2 5FL 3-(pyridin-4-yl)benzoic acid +CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O 5FN (3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C 5FO 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FP 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid +CCCCCNC(=O)[C@H](C)N 5FQ n-pentyl-l-alaninamide +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C 5FR 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide +Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O 5FS 3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione +Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O 5FT phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F 5FU 5-fluoro-uridine-5'-monophosphate +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O 5FV phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(C)NC[C@@H](c1ccc(c(c1)O)O)O 5FW isoprenaline +C([C@H]([C@@H](C(=O)CO)O)O)F 5FX 5-deoxy-5-fluoro-d-xylulose +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O 5FY 4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 5G0 (z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +c1ccc(c(c1)C(=O)NN)Cl 5G1 2-chlorobenzohydrazide +c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O 5G2 3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl 5G3 4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O 5G4 4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol +c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl 5G5 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol +c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G6 4,4'-(phenylcarbonimidoyl)diphenol +Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G7 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol +c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2 5G8 1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole +c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5G9 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1 5GA 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5GB 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +CC(C)S(=O)(=O)c1c(n[nH]c1SC)N 5GC 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine +Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one +C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O 5GF 5-fluoro-beta-d-glucopyranose +C(CCNCCCCN)C[C@@H](C(=O)O)N 5GG deoxyhypusine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2 5GH ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate +Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O 5GI ~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O 5GJ [(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone +c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4 5GK 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C 5GL 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one +CC[C@H](C)C[C@@](C)(C(=O)O)N 5GM (4s)-2,4-dimethyl-l-norleucine +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C 5GN n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O 5GO 4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 5GP guanosine-5'-monophosphate +CC1=CN2CC(CN=C2C=C1)O 5GQ 7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C 5GR n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O 5GS 2'-c-methyluridine 5'-(trihydrogen diphosphate) +c1cc2c(cc1C(F)(F)F)NC(=O)CN2 5GT 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one +c1cc2c(cc1Br)NC(=O)CN2 5GU 7-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O 5GV (2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 5GW 5-phenyluridine 5'-(trihydrogen diphosphate) +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5 5GX 7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O 5GY 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-] 5GZ 4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br 5H 5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC 5H0 (2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate +c1cc2c(cc[nH]2)cc1O 5H1 1h-indol-5-ol +COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl 5H2 methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F 5H3 n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F 5H4 n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C 5H5 (2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide +c1cc(sc1c2cc(no2)C(=O)O)Cl 5H6 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid +C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 5H7 n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 5H8 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 5H9 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O 5HA n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HB n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O 5HC 2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +C(CCO)CC(CCCCO)CCO 5HD 5-(2-hydroxyethyl)nonane-1,9-diol +CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O 5HE (5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid +COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HF n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N 5HG {[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid +c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3 5HH n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3 5HI (3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3 5HJ (2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one +CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-] 5HK 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide +CCc1cccc2c1NC(=O)C(=C2)CNC3CC3 5HL 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO 5HM 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +c1c(cncc1O)C(=O)O 5HN 5-hydroxypyridine-3-carboxylic acid +c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2 5HO n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide +C1CC(=O)N[C@@H]1C(=O)O 5HP pyroglutamic acid +c1cc(oc1)c2ccc(cn2)CN 5HQ 1-[6-(furan-2-yl)pyridin-3-yl]methanamine +c1ccc(cc1)CNC[C@H](N)P(=O)(O)O 5HR [(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid +Cc1conc1CCc2cccnc2 5HS 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O 5HT 5-hydroxy-thymidine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O 5HU 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F 5HV n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide +C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5HW 4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol +c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5HX 4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol +C([C@@H]1C(=O)NC(=O)N1)C(=O)O 5HY [(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid +c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O 5HZ 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl 5I1 n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide +c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N 5I4 ~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O 5I5 7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO 5IB ~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I 5IC 5-iodo-cytidine-5'-monophosphate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I 5ID (2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC 5IG 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 5II methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O 5IJ (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate +CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO 5IK 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one +c1c(nc(s1)N2CCCCC2)N 5IM 2-(1-piperidinyl)-1,3-thiazol-4-amine +c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3 5IN n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C 5IO 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5IP (1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc2cnccc2c(c1)N 5IQ isoquinolin-5-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4 5IR [n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii) +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC 5IS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IT 5-iodo-thymidine-5'-phosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IU 5-iodo-2'-deoxyuridine-5'-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 5IW (2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O 5IX (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 5IZ (2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide +c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5J0 3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol +c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O 5J1 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol +c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O 5J2 4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O 5J4 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O 5J5 2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid +COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4 5J6 methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O 5J7 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 5J8 [[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N 5J9 3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine +C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC 5JA (5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 5JB (25s)-3-oxocholest-4-en-26-oyl-coa +c1cc(c(cc1Cl)Cl)O 5JC 2,4-dichlorophenol +c1cc(c(cc1O)Cl)Cl 5JD 3,4-dichlorophenol +c1ccc2c(c1)[nH]c(n2)n3ccnc3 5JE 2-imidazol-1-yl-1h-benzimidazole +c1cc(c(c(c1)Cl)Cl)O 5JF 2,3-dichlorophenol +COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4 5JG 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine +CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C 5JH (1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate +CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl 5JJ n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C 5JK 7alpha-hydroxycholesterol +C12=C(NC(=S)N1)NC(=S)NC2=O 5JL 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl 5JM 4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C 5JN 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate +C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 5JO 2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate) +CN[C@@H](CO)C(=O)O 5JP n-methyl-l-serine +C12=C(NC(=O)N1)NC(=S)NC2=O 5JQ 2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione +CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC 5JR n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC 5JS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N 5JT (3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine +Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6 5JU n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O 5JV 4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid +c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl 5JW {[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid +c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O 5JX 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol +CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5JY 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol +CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC 5JZ n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide +CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K0 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol +CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K1 4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol +c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5K2 4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol +CO[C@@H](CCc1ccc(cc1)O)O 5K3 4-[(3s)-3-hydroxy-3-methoxypropyl]phenol +CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K4 4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O 5K5 4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol +COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K7 methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate +COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC 5K8 dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate +c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O 5KA 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol +c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KB 4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol +C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O 5KC (2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid +COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KD 4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O 5KE 4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O 5KF 4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O 5KG 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O 5KH n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide +C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2 5KI (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate +[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N 5KJ n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine +C1CNCN2CNCCNCN(CN1)CNCCNC2 5KK 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane +CN(C)/C=C/C(=O)c1ccccc1O 5KL (2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one +c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 5KM 2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid +c1cc(c(cc1N2CCOCC2)N3CCOCC3)N 5KN 2,4-di(morpholin-4-yl)aniline +C[C@H](CC=O)O 5KO (3r)-3-hydroxybutanal +Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C 5KP n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide +CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O 5KQ (6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid +Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O 5KR 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F 5KS 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O 5KT 3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside +CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N 5KU (6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O 5KV 2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl 5KW 2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide +c1cnc([nH]1)Cl 5KX 2-chloro-1h-imidazole +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O 5KY 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid +CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 5KZ (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5 5L0 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone +CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O 5L2 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate +CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O 5L3 (6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N 5L4 3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC 5L5 (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate +CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN 5L6 n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine +Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O 5L7 2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol +c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L8 (2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L9 (2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1c2cc(sc2[nH]c1C(=O)O)Cl 5LA 2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid +c1c(nnn1CCN)C[C@@H](C(=O)O)N 5LB (2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O 5LC n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) +c1ncn(n1)C[C@H](CP(=O)(O)O)O 5LD [(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +c1c(nnn1CCCN)C[C@@H](C(=O)O)N 5LE (2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid +c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N 5LF (2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LG (phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LH (phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O 5LI 2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO 5LJ (phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate +CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O 5LK 4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol +c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LL 5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LM 5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione +C(O)[Ru](CO)(O)(O)Cl 5LN chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium +CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C 5LO 4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O 5LP 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid +CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl 5LQ 5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl 5LR 5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O 5LS 2,4-di-o-sulfo-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 5LT 3,4-di-o-sulfo-alpha-d-glucopyranose +CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 5LU prochloraz +CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO 5LV 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one +C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LW 1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LX 1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LY 1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LZ 1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +Cc1ccc(c(c1)C(=O)O)N 5M0 2-azanyl-5-methyl-benzoic acid +Cc1ccc([nH]1)C(=O)O 5M1 5-methyl-1h-pyrrole-2-carboxylic acid +Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O 5M2 (~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4 5M6 1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide +c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl 5M7 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid +Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O 5M8 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid +Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl 5M9 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine +c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine +Cc1ccc2c(c1)[nH]cn2 5MB 5-methylbenzimidazole +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MC 5-methylcytidine-5'-monophosphate +CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O 5MD 2'-deoxy-1-methyl-pseudouridine +C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 5ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide +CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C 5MF 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine +c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 5MG 3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one +CC1=CN(C(=S)C=C1)O 5MH 1-hydroxy-5-methylpyridine-2(1h)-thione +Cc1ccc2c(c1)cc[nH]2 5MI 5-methyl indole +CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC 5MJ 3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide +c1cc(c(cc1Cl)C(=O)N)N 5MK 2-azanyl-5-chloranyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4 5ML 3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide +CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5MM 2-o-methyl-1,6-di-o-phosphono-d-mannitol +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5 5MN ~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5 5MO n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +Cc1cc[nH]c1 5MP 5-methylpyrrole +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5 5MQ n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N 5MR nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide +Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3 5MS n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide +C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N 5MT 4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MU 5-methyluridine 5'-monophosphate +C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC 5MV 3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid +c1c(nnn1CCC[C@@H](C(=O)O)N)CN 5MW (2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid +c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 5MX benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5MY myo-inositol-(1,3,4,5,6)-pentakisphosphate +c1cc(cc(c1)N)c2nc(on2)CCl 5MZ 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C 5N0 3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4 5N1 6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine +c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N 5N2 2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile +CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C 5N3 ~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C 5N4 ~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5N5 5'-amino-5'-deoxyadenosine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O 5N6 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N 5N7 (13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide +C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F 5N8 4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one +Cc1cccc2c1ccc(c2C(=O)O)O 5NA 2-hydroxy-5-methyl naphthoic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5NB 5'-amino-8-bromo-5'-deoxyadenosine +C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O 5NC 5-aza-cytidine-5'monophosphate +c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3 5ND 5-(2-naphthylmethyl)-d-hydantoin +Cc1cccc2c1cccc2C(=O)O 5NE 5-methylnaphthalene-1-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O 5NG [[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C 5NH 1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate +c1cc2c(cc1[N+](=O)[O-])cn[nH]2 5NI 5-nitroindazole +Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O 5NJ 6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid +Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN 5NK 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol +c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3 5NL 5-(2-naphthylmethyl)-l-hydantoin +CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br 5NM 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one +c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5NN 5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one +c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5 5NO 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one +c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl 5NP (9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one +CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C 5NQ 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione +c1ccc(cc1)CC2CCN(CC2)CCN 5NR 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine +c1cc2c(cccc2S(=O)(=O)O)c(c1)N 5NS 5-aminonaphthalene-1-sulfonic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O 5NT 2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] 5NU 5-nitrouracil +CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N 5NV 8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C 5NW n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine +c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O 5NX 3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7 5NY 2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N 5NZ 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O0 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5 5O1 ~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N 5O2 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O3 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2 5O4 4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine +c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl 5O5 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole +C/C(=C\C(=O)O)/c1ccc(cc1)OC 5O6 (~{e})-3-(4-methoxyphenyl)but-2-enoic acid +Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC 5O7 ~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O 5O8 ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl 5OA 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine +COc1ccc2c(c1)[nH]cn2 5OB 5-methoxybenzimidazole +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O 5OC 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) +CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N 5OD 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C 5OE ~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc2c(c1)C(=NNC2=O)CC(=O)O 5OF 2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid +c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO 5OG belinostat +C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N 5OH (2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3 5OI (1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine +c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO 5OJ 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO 5OK oxamflatin +CC(NCCCC[C@@H](C(=O)O)N)(O)O 5OL n~6~-(1,1-dihydroxyethyl)-l-lysine +C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O 5OM (2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid +c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O 5ON (~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid +c1cc(c(cc1Cl)Cl)/C=C/C(=O)O 5OO (~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid +CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O 5OP (5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid +Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC 5OQ ~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine +c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O 5OR 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol +c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O 5OS 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol +c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N 5OT 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl 5OU 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O 5OW (2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O 5OX (7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid +C(C[C@@H](C(=O)O)N)CP(=O)(O)O 5OY 5-phosphono-l-norvaline +CC(C)C=O 5OZ 2-methylpropanal +c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O 5P1 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol +CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F 5P2 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide +c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O 5P3 5-chloro-4-hydroxybiphenyl-3-carboxylic acid +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C 5P4 propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC 5P5 (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N 5P6 2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile +c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO 5P7 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 5P8 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl 5P9 n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O 5PA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid +c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl 5PB 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PC 5(1-propynyl)-2'-deoxycytidine-5'-monophosphate +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O 5PD (r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate +COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3 5PE (2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O 5PF (1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CN[C@@H](c1ccc(cc1)O)C(=O)O 5PG (2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2 5PH 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid +CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC 5PI n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4 5PJ 1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone +c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O 5PK (1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C 5PL (1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate +c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4 5PM 4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline} +Cc1c(c2c(cn1)C(=O)OC2)O 5PN 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one +CCCCCc1ccc(c(c1)O)Oc2ccccc2 5PP 5-pentyl-2-phenoxyphenol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O 5PQ 3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1c(c(c(cn1)C(=O)O)CO)O 5PR 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 5PS (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide +c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O 5PU 4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +c1ccc(cc1)CCCCC(=O)O 5PV 5-phenylvaleric acid +CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-] 5PW n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide +c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3 5PX 4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PY 1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one +[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C 5PZ (1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol +c1cc2c(cccn2)c(c1)O 5Q0 quinolin-5-ol +c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O 5Q1 4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl 5Q2 4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N 5Q3 4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC 5Q4 4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +Cc1ccccc1NC(=S)N 5Q5 1-(2-methylphenyl)thiourea +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O 5Q6 [2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +CC(C)Cc1nc(c(o1)N)C#N 5Q7 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile +c1ccc(cc1)Cc2nc(c(o2)N)C#N 5Q8 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile +CC(=O)N(C)Cc1c(cccc1Cl)Cl 5Q9 ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide +c1cc(c(c(c1)Cl)CNC(=O)CO)Cl 5QA ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide +CC(=O)NCc1c(cccc1OC)OC 5QB ~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O 5QC 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one +CC(=O)NCc1c(cccc1Cl)Cl 5QD ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide +C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C 5QE ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide +CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C 5QG 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O 5QH ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N 5QI n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O 5QJ (2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol +c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O 5QK ~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O 5QL ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide +c1cc(cc2c1ccnc2)C#CCO 5QM 3-(isoquinolin-7-yl)prop-2-yn-1-ol +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C 5QN methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate +Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O 5QO macrocyclic quinoxaline-pyrrolodihydropiperidinone +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O 5QP (1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F 5QQ 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O 5QR 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid +CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O 5QS 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol +CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S 5QT 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate +Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4 5QU (2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4 5QV (4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3 5QW ~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide +CN1c2ccccc2NCC1=O 5QX 1-methyl-3,4-dihydroquinoxalin-2-one +C[C@H]1C(=O)Nc2ccccc2N1 5QY (3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one +CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 5QZ 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid +CC(C)(C)c1ccc(cc1)C(=O)O 5R0 4-~{tert}-butylbenzoic acid +COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 5R1 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6 5R2 2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +COC(=O)[C@H](CO)N 5R5 methyl l-serinate +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O 5R6 nogalamycin ro +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N 5R7 (2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN1CCCN(CC1)Cc2ccc(cc2)CN 5R8 [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine +CN1CCCN(CC1)Cc2ccc3c(c2)cccn3 5R9 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline +CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C 5RA 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C 5RB 5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid +CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F 5RC ~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +CCCCNCc1ccc(cc1)S(=O)(=O)N 5RD 4-(butylaminomethyl)benzenesulfonamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O 5RE (2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC 5RF (2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +c1cc(c(cc1F)C(=O)O)N 5RG 2-amino-5-fluorobenzoic acid +C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O 5RH cytochalasin b +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 5RI n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide +CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O 5RL 6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol +CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C 5RM (5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one +CC(=O)c1c[nH]c2c1cccc2 5RN 1-(1~{h}-indol-3-yl)ethanone +Cc1cccc2c1[nH]cc2C(=O)C 5RO 1-(7-methyl-1~{h}-indol-3-yl)ethanone +C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O 5RP ribulose-5-phosphate +CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5RQ 1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5 5RS ~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5 5RT 1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F 5RU 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N 5RV 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile +c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F 5RW 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl 5RX 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N 5RY 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile +c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br 5RZ 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N 5S4 [(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C 5S5 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C 5S6 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O 5S7 (2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol +Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC 5S8 ~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide +Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F 5S9 ~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO 5SA acarbose derived pentasaccharide +CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3 5SB ~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide +Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-] 5SC 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 5SD 5alpha-androstan-3,17-dione +C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5SE 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) +CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC 5SF ~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine +c1cc2cnccc2c(c1)O 5SG isoquinolin-5-ol +c1ccc(cc1)c2ccncc2 5SH 4-phenylpyridine +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O 5SI 2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione +CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C 5SJ ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate +CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C 5SK ~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine +Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4 5SL ~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F 5SM 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine +Cc1cc2nnc(n2c3c1cccc3)C 5SN 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC 5SO fusicoccin a-thf derivative +C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O 5SP 5-o-phosphono-d-xylulose +c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 5SQ 2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-] 5SR [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN 5SS 4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN 5ST methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 5SU methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5SV [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate +CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC 5SW 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O 5SY [(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F 5SZ 6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one +CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5T0 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one +C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O 5T1 6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one +c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3 5T2 2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CCN(CCCC[C@@H](C(=O)O)N)C(C)C 5T3 n~6~-ethyl-n~6~-propan-2-yl-l-lysine +c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3 5T4 ~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F 5T5 [(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone +Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl 5T6 (4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine +C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl 5T7 (1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide +C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl 5T8 (5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine +[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O 5T9 (2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN 5TA (5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one +CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 5TB 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one +c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4 5TC 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide +c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3 5TD 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile +c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3 5TE 3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide +C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C 5TF (s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine +CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5TG ~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O 5TH [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O 5TI 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O 5TJ [(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O 5TK (2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol +c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N 5TL 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O 5TM [(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 5TN (2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C1CCC(C1)CCC(=O)N2CCCC2 5TO 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one +c1csc(n1)C(=O)CC[C@H]2CCCCN2 5TP 3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O 5TQ 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C 5TR [(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate +c1cc(sc1c2ccno2)S(=O)(=O)O 5TS 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid +CNCc1ccc(cc1)N2CCCCC2 5TT ~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine +CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N 5TU 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 5TW 3-oxo-23,24-bisnorchol-4-en-22-oyl-coa +C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O 5TX ((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid +CN1C=Cc2c(cnc(n2)N(C)C)C1=O 5TY 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one +c1cnc(cc1C(=O)O)c2csc(n2)N 5TZ 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C 5U0 s-farnesyl-l-cysteine methyl ester +Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C 5U1 2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC 5U2 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one +C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O 5U3 3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one +Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C 5U4 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one +CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C 5U5 3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide +CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC 5U6 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC 5U7 5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide +CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F 5U8 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2 5U9 ~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N 5UA 5'-o-carboxy-2'-deoxyadenosine +c1cnc(c2c1C(=O)NC=N2)c3cscn3 5UB 8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)Cl 5UC 5-chloropyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F 5UD 5-fluorouridine +C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+] 5UE [(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium +CCCCCCC[C@@H](CC(=O)O)O 5UF (3~{s})-3-oxidanyldecanoic acid +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O 5UG [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate +COc1ccc(cc1c2ccccc2)CC(=O)O 5UH 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid +CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5UI 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl 5UJ 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O 5UK 2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid +c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UL 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N 5UM n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N 5UN n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UO 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cnc(cc1C(=O)N)c2csc(n2)N 5UP 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC 5US 3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide +CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C 5UT 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one +c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F 5UU 6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F 5UV 7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3 5UW ~{n}-(3,3-diphenylpropyl)piperidin-4-amine +c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F 5UX 6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N 5UY methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5UZ 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid +c1cc(oc1)CNCc2cc(ccn2)C(=O)O 5V0 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid +c1ccc(cc1)CNCc2cc(ccn2)C(=O)O 5V1 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid +CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F 5V2 n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3 5V3 8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 (1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol +COc1ccc(cc1c2cccs2)CC(=O)O 5V5 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid +COc1ccc(cc1c2ccsc2)CC(=O)O 5V6 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid +c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N 5V7 8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O 5V8 2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide +c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O 5VC 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid +C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O 5VD methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate +[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VE ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N 5VF ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VG ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 5VH ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C 5VI (2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2 5VJ 6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide +CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O 5VK ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate +c1ccc(c(c1)c2ccccc2O)O 5VL 2-(2-hydroxyphenyl)phenol +c1cc2c(cc1Cl)NC(=S)O2 5VM 5-chloranyl-3~{h}-1,3-benzoxazole-2-thione +C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O 5VN caulophyllogenin +c1ccc(cc1)C(=O)CCCCC(=O)O 5VO 6-oxidanylidene-6-phenyl-hexanoic acid +C=CCO 5VQ 2-propen-1-ol +CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O 5VR [[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C 5VS 2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one +COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4 5VT (2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide +c1cc(c(cc1F)F)NC(=O)N2CCCC2 5VU n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide +C([C@@H](C=O)NC(=O)O)C(=O)N 5VV n-carbamoyl-l-asparagine +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2 5VW [[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate +CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5VX 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 5VY 2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C 5VZ ~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W0 ~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W1 ~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC 5W3 ~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4 5W4 (3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one +COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F 5W5 methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC 5W6 ~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC 5W7 ~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C 5W8 ~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC 5W9 ~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O 5WA (1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol +Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC 5WB 5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N 5WC 1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N 5WD 3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid +CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5 5WE 4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide +CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F 5WF 4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F 5WH 4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4 5WJ ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O 5WK 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol +CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4 5WL 6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide +c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N 5WM 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccc2c(c1)c(cs2)CNS(=O)(=O)N 5WN 3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4 5WO ~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide +CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C 5WP rifampin-phosphate +CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C 5WQ rifampin +C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5WR (4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide +CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C 5WS ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide +CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C 5WT ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide +Cc1c2c(n(n1)CCO)CCCC2=O 5WU 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one +CN1Cc2ccccc2C1=O 5WV 2-methyl-3~{h}-isoindol-1-one +COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5WW 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one +COc1cccc2c1c(no2)N 5WX 4-methoxy-1,2-benzoxazol-3-amine +c1cc(c2c(c1)OCCO2)C(=O)N 5WY 2,3-dihydro-1,4-benzodioxine-5-carboxamide +C1CC1C(=O)N2CCC(CC2)N 5WZ (4-azanylpiperidin-1-yl)-cyclopropyl-methanone +C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3 5X 5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3 5X0 ~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide +C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5X1 3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4 5X2 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl 5X3 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid +CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C 5X4 ~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N 5X8 s-adenosyl-l-cysteine +Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O 5X9 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid +C(CCN)CC(=O)NO 5XA 5-amino-n-hydroxypentanamide +C1[C@H](N[C@H](S1)C(=O)O)C(=O)O 5XB (2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid +c1cc2c(cc1C=O)OCO2 5XC 1,3-benzodioxole-5-carbaldehyde +CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C 5XD 4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide +Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br 5XE 4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide +CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC 5XF ~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide +c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N 5XG 8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C 5XH ~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide +CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F 5XJ 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine +CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XK 6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4 5XM (3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+] 5XN (1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium +Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N 5XO (s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid +c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN 5XP (2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid +Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC 5XQ ~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O 5XR 2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid +COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2 5XS methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O 5XT ~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide +C[C@@H](C=O)N 5XU (2~{s})-2-azanylpropanal +C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N 5XV ~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide +C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O 5XW (2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XX 2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XY 2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 5XZ 2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O 5Y0 n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y2 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y3 ~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y4 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br 5Y5 2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl 5Y6 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl 5Y7 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide +Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N 5Y8 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +CC(=O)N(C)C 5Y9 ~{n},~{n}-dimethylethanamide +c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO 5YA 4-naphthalen-1-yl-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N 5YB n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine +CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3 5YC 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F 5YD 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide +CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F 5YE 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO 5YF 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O 5YI (1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5YJ 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O 5YL 5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid +c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 5YN 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O 5YQ 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4 5YU n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4 5YW n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F 5YX n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N 5YY ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate +CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6 5Z1 4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl 5Z3 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F 5Z4 ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate +Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl 5Z5 5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br 5Z7 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc2c(c(c1)[N+](=O)[O-])non2 5Z8 4-nitro-2,1,3-benzoxadiazole +CC[C@](C)(C#N)O 5Z9 (2r)-2-methyl-2-oxidanyl-butanenitrile +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O 5ZA (5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C 5ZB (2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide +Cc1cc(nc(n1)N)C 5ZE 4,6-dimethylpyrimidin-2-amine +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl 5ZF n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 5ZI 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F 5ZJ 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +Cc1c2c(c(ncn2)NC)[nH]n1 5ZK ~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 5ZL [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C 5ZM 5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O 5ZN 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde +COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2 5ZO (~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C 5ZP (3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO 5ZT 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione +c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5ZW 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O 5ZZ (2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid +CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC 600 6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid +CN(C)c1ccc(cc1)C(=O)NN 601 4-(dimethylamino)benzohydrazide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2 602 [[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O 603 ~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide +Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O 604 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos e +c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N 605 4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O 606 (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N 607 2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4 608 n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide +c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O 609 7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid +C[C@H](COCCO)OCO 60A 2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 60B ~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23 60C (c_{60}-i_{h})[5,6]fullerene +CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6 60D 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide +CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6 60E 2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol +c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O 60F (2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid +COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC 60G methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate +c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3 60H (2~{s})-2-(diphenylmethyl)pyrrolidine +Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C 60I [4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N 60K (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid +CNCc1cccc(c1)c2cccs2 60L ~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine +c1cc(nc(c1)C(=O)O)CP(=O)(O)O 60M 6-(phosphonomethyl)pyridine-2-carboxylic acid +c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O 60N 6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid +c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 60O 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccsc1C(=O)O 60P 3-methylthiophene-2-carboxylic acid +c1ccc(c(c1)C(=O)O)n2cccc2 60Q 2-pyrrol-1-ylbenzoic acid +c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F 60R 6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N 60S 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F 60T (2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N 60U 5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N 60V 5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N 60W 3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F 60X (2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N 60Y 3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C 60Z (3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-] 610 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O 611 n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2 612 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl 613 4-(4-chlorophenyl)piperazine-1-carboximidamide +Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5 614 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N 615 (1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide +CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C 616 n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl 617 2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid +Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C 618 (3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide +CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 619 n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl 61C platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1) +OI 61D hypoiodous acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl 61E 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CC(=C)C=C 61G 2-methylbuta-1,3-diene +c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O 61H (1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O 61J (6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N 61K (3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide +Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O 61L 4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid +c1ccc(c(c1)C(=O)CC(=O)O)N 61M 3-(2-aminophenyl)-3-oxopropanoic acid +c1cc2cc(ccc2c(c1)C(=O)O)O 61N 6-hydroxynaphthalene-1-carboxylic acid +c1ccc(c(c1)c2cccnc2)C(=O)O 61O 2-(pyridin-3-yl)benzoic acid +c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N 61P 2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name) +c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN 61Q 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid +CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N 61S tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate +c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N 61T [(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate +C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O 61U 5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile +c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I 61V n-(1-benzylpiperidin-4-yl)-4-iodobenzamide +CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C 61W 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole +CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F 61X 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline +CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4 61Y 4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine +c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N 620 n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine +CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C 621 n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide +Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F 622 6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N 623 3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide) +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl 624 2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl 625 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5 626 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC 627 n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide +c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl 628 4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O 629 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C 62A 2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C 62B lefamulin +c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl 62C 2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose +CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC 62D 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6 62E 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea +Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O 62F [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N 62G cpi-0610 +C[C@@H](CN)C(=O)O 62H (2s)-3-amino-2-methylpropanoic acid +CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O 62I (6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2 62K 2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O 62L 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O 62M [6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 62N n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine +COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3 62O 6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole +Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl 62P 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F 62Q {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F 62R 4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 62S [(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F 62T {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone +C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC 62U (8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate +Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl 62V 6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine +C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O 62W l-glucitol +CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 62X 5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine +c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br 62Y 3-bromophenyl hydrogen (s)-phenylphosphonate +CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl 630 1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one +CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC 631 (1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3 632 2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C 633 n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 634 n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5 635 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O 636 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 637 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O 638 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide] +Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 639 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile +CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 63A 1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one +COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F 63B methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate +CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl 63C (3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl 63D 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid +CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3 63E 4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F 63F n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O 63G (6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O 63H (6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O 63I (1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol +c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F 63J 2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide +c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F 63K 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea +CSc1c(c(n(n1)C(=O)N)N)C(=O)N 63L 5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide +CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C 63M n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 63N n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C 63O n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C 63P (9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C 63Q (4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide +CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4 63R n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide +C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O 63T [(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 63U (2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 63V (2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N 63W 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O 63X mofezolac +Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N 63Y 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine +CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 640 (2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid +c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 641 (3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5 642 (1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid +Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl 643 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O 644 2,6-bis[(2-carboxyphenyl)amino]benzoic acid +CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O 645 [1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 646 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 647 5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 649 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O 64A {[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid +COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC 64B methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64C 1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one +c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl 64D 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid +CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64E 1-propylisochromeno[3,4-c]pyrazol-5(3h)-one +CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64F 1-butylisochromeno[3,4-c]pyrazol-5(3h)-one +c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F 64I 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N 64J 5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O 64K alpha-d-arabinopyranose +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br 64L kb2115 +COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 64M 5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl 64N 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl 64O n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N 64P 5-aminothymidine 5'-(dihydrogen phosphate) +Cc1ccccc1Nc2cc(nc3n2cnn3)C 64Q 7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine +Cc1ccc2c(c1)NC(=O)[C@H](O2)C 64R (2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one +CCNc1c2cc(c(cc2ncn1)OC)OC 64S n-ethyl-6,7-dimethoxyquinazolin-4-amine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O 64T 5-hydroxy-thymidine-5'-monophosphate +c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N 64U 3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO 64V 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid +CC(=CCC/C(=C/CO)/C)C 64Z geraniol +C/C=C(\C)/CCC=C(C)C 650 beta-myrcene +c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O 651 (3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol +CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O 652 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol +c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+] 653 5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +Cc1ccc(cc1)Cn2cc(nc2)c3cccs3 654 4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole +c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 655 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate +CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 656 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1cc2c(cc1OC(F)(F)F)sc(n2)N 657 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine +Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C 658 n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O 659 n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC 65A 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N 65B 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile +Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N 65C chir99021 +CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O 65D octyl 3,4,5-trihydroxybenzoate +Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N 65H 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN 65I (9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate +CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N 65J 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +[H]/N=C(/c1ccc(cc1)C(=O)O)\N 65K 4-carbamimidoylbenzoic acid +c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3 65L [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol +CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N 65N n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine +Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N 65O 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine +Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F 65P (2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid +Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N 65Q 5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4 65R 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +C(C(=O)C(=O)O)F 65S 3-fluoro-2-oxopropanoic acid +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4 65U 5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide +c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O 65V 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3 65W 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid +c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl 65X 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline +CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl 65Y 6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid +c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl 65Z 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 660 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O 662 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide +Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 663 3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide +Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C 664 1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 665 (3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I 666 6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one +c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3 667 6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate +CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O 668 2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide +c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl 669 1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid +c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 66A 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O 66B (8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN 66C 4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine +CC[C@@H](C)C[C@@](C)(C(=O)O)N 66D (4r)-2,4-dimethyl-l-norleucine +CCN[C@@H](C(C)C)C(=O)O 66E n-ethyl-l-valine +C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F 66F n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2 66G (4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4 66H n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide +[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 66J (3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide +Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 66K 4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide +c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F 66L n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N 66M (2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) +C[C@@H](C(=O)N)N 66N l-alaninamide +C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O 66O alpha-l-6-dexoy-gulopyranose +c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N 66P 4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O 66R trans-ned 19 +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 66S s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC 66T n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide +C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O 66U (1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO 66V 1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium +CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4 66X n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea +C1[C@@H]2C=C[C@H]1NC2=O 66Y (1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one +C1[C@H]2C=C[C@@H]1NC2=O 66Z (1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one +c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 670 p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N 671 1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N 672 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2 673 n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine +c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O 674 6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N 675 6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide +c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F 676 n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N 677 (2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine +c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-] 678 (3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl 679 2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 67A 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one +CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 67B n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide +CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C 67C 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide +c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O 67D 3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine +CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 67F (2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name) +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F 67G (1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F 67H 7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C 67J n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccnc(c1)c2cc(cc(n2)C=O)O 67K 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde +c1ccnc(c1)c2cc(cc(n2)CO)O 67L 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 67M (2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) +CN1C=Cc2cc[nH]c2C1=O 67N 6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C 67O (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67P n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide +Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 67Q 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67R 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO 67S {2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N 67T 2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile +CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br 67U 6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC 67V methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate +c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3 67W (2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid +C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N 67X (3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide +c1ccc2c(c1)CCC[C@H]2NC(=O)CO 67Y 2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide +COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC 67Z 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-] 680 6-methylamino-5-nitroisocytosine +CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3 681 2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N 682 n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide +Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 683 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid +c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O 684 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid +Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C 685 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br 686 n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 687 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide +c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4 688 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid +C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C 689 4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +Cc1c2c(sc1C(=O)O)N=CN(C2=O)C 68A 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid +c1ccc(cc1)C(=O)Nc2cncnc2 68B n-(pyrimidin-5-yl)benzamide +Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O 68C 5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide +Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O 68D {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC 68E 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O 68F (2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol) +CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C 68G 13'2-hydroxyl-chlorophyll a +CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O 68H salbutamol +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F 68J n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F 68K n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide +c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6 68L n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide +Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C 68M (2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide +c1ccc2c(c1)CCN[C@@H]2CO 68N [(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +CCc1cc(c(cc1F)Oc2ccccc2F)O 68O 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F 68P (1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile +c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O 68Q 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5 68R 2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one +COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO 68T 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide +CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C 68U n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O 68V 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O 68W 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid +C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3 68Y (4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O 68Z 1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate +B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O 690 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CC(=O)Nc1cc2ccccc2nc1 691 n-(quinolin-3-yl)acetamide +CNCc1ccccc1c2cccs2 692 n-methyl-1-(2-thiophen-2-ylphenyl)methanamine +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F 693 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate +c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O 694 4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid +CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC 695 n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide +c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N 696 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O 697 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O 698 (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O 699 (2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3 69A (4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5 69B (4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4 69C (6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br 69D (1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C 69E (4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4 69F (4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 69G 3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide +CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O 69H 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol +CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O 69J 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol +CCc1cc(c(cc1F)Oc2cccnc2C)O 69K 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol +c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N 69M 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol +CCCC(=O)C(=O)O 69O 2-oxopentanoic acid +c1[nH]c2c(n1)c(ncn2)N3CCNCC3 69P 6-piperazin-1-yl-9h-purine +CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O 69Q 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol +c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O 69R 4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O 69S 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol +c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O 69T 4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol +c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O 69U 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5 69V 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N 69W 4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine +c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F 69Y 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one +Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 69Z [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone +C(CC[C@@H](C(=O)O)N)CCC(=O)NO 6A0 (2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid +C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O 6A1 hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium +CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-] 6A4 (4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate +Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN 6A5 sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone +c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F 6A6 (3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone +Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 6A7 [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone +[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6A8 ((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol +COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 6A9 n-9'-methoxynonyl-1-deoxynojirimycin +c1ccc(c(c1)C(=O)O)N 6AB 6-aminobenzoic acid +C=CC#N 6AC prop-2-enenitrile +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N 6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) +C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N 6AE 4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O 6AF (2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol +C(CCCO)CCN 6AH 6-aminohexan-1-ol +c1cc2cn[nH]c2cc1N 6AI 1h-indazol-6-amine +CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O 6AJ 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl 6AL 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid +c1(nc(nc(n1)O)N)N 6AM 4,6-diamino-1,3,5-triazin-2-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 6AN 6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N 6AO (2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide +c1[nH]c2c(n1)c(nc(n2)N)N 6AP 9h-purine-2,6-diamine +c1cc(ccc1n2ccnc2)F 6AQ 1-(4-fluorophenyl)-1h-imidazole +c1cc(ccc1n2ccnc2)Br 6AR 1-(4-bromophenyl)-1h-imidazole +CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C 6AS (2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N 6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 6AU 6-acetyluridine 5'-phosphate +c1cc(c(cc1Cl)N)n2ccnc2 6AV 5-chloro-2-(1h-imidazol-1-yl)aniline +CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C 6AW 1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate +c1cc(ccc1Cc2nnc(o2)N)Cl 6AX 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine +Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl 6AY n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-] 6AZ 6-azidouridine 5'-(dihydrogen phosphate) +c1cc(c(c(c1)Cl)Cl)CO 6B0 (2,3-dichlorophenyl)methanol +c1c2c(cc(c1Cl)Cl)nc([nH]2)CO 6B1 (5,6-dichloro-1h-benzimidazol-2-yl)methanol +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C 6B2 n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide +c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O 6B3 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 6B4 1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea +COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6B5 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one +O[Pt](O)(O)O 6B6 platinum(4+) tetrahydroxide +CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C 6B7 (2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC 6B8 (2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 6B9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid +c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F 6BB 4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl 6BC 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O 6BD (2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid +CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C 6BE 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine +CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5 6BF 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br 6BG 6-bromo-6-deoxy-beta-d-glucopyranose +c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-] 6BH n-[3-(benzyloxy)phenyl]-3-nitrobenzamide +c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4 6BJ n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide +c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one +Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one +C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O 6BM [(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid +CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl 6BN 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one +Br[Pt](Br)(Br)(Br)(Br)Br 6BP hexabromoplatinate(iv) +C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O 6BQ phosphorylated josamycin +C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-] 6BR threoninevanadate +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C 6BS 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide +c1ccc2c(c1)CCN[C@H]2CO 6BT [(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 6BU n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6BV (2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol +C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C 6BW (2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene +C1COCCN1C[C@@H](CS(=O)(=O)O)O 6BX (2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +C1COCCN1C[C@H](CS(=O)(=O)O)O 6BY (2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC 6BZ 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O 6C0 methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate +B(c1ccccc1OCc2cccc(c2)Cl)(O)O 6C1 {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O 6C2 methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid +Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4 6C3 6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one +C1CCC(C1)CNC(=O)C2CCCC2 6C4 n-(cyclopentylmethyl)cyclopentanecarboxamide +C1CCC(C1)CNC(=O)N2CCCC2 6C5 n-(cyclopentylmethyl)pyrrolidine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4 6C6 n-cyclopentyladenosine 5'-(dihydrogen phosphate) +CC(=CCSP(=O)(O)OP(=O)(O)O)C 6C7 s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate +c1cocc1/C=C/C(=O)N2CCCC2 6C8 (2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one +C1CCN(C1)C(=O)NC[C@@H]2CCOC2 6C9 n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 6CA 4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid +Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N 6CB 3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide +c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl 6CC 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1 6CD 2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O 6CE 5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 6CF 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N 6CG 5'-s-phosphono-5'-thioguanosine +CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC 6CH [(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate +c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O 6CJ n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N 6CK [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N 6CL 6-carboxylysine +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O 6CM n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N 6CN 6-cyanouridine 5'-phosphate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C 6CO [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron +c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 6CP 6-cyclohexylmethoxy-2-(3'-chloroanilino) purine +Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C 6CQ [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N 6CR 6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine +CC1=N[C@@H]([C@H](CN1)O)C(=O)O 6CS (4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C 6CT phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group +CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C 6CU (6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole +c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV 3-bromo-l-phenylalanine +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N 6CW 6-chloro-l-tryptophan +c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6CX 5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine +CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N 6CY 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile +CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6CZ 5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N 6D0 5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N 6D1 5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine +[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6D2 5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine +c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N 6D3 (2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N 6D4 5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N 6D5 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N 6D6 5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine +CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O 6D7 (r)-orteronel +CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O 6D8 vt-464 +c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7 6DA n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O 6DB octopine +CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C 6DC n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O 6DD n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid +CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C 6DE 1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O 6DF [6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N 6DG (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine +c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO 6DH 3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol +CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O 6DJ (3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol +c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O 6DK 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide +c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F 6DL 5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O 6DM 6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C(CCNCC(=O)O)C[C@@H](C(=O)O)N 6DN (2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 6DO (2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid +CS(=O)(=O)Nc1cccc2c1cn[nH]2 6DP ~{n}-(1~{h}-indazol-4-yl)methanesulfonamide +c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3 6DQ 2-pyridin-3-yl-1,3-benzothiazin-4-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3 6DR 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O 6DS (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4 6DT n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine +c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU 2-bromo-l-phenylalanine +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F 6DV n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7 6DW 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DX 2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DY 2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N 6DZ 2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CCCCCCCCCCCCCCCCCCP(=O)(O)O 6E0 octadecylphosphonic acid +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F 6E1 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside +COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5 6E2 2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide +CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C 6E3 2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +C(CC(=O)N)[C@@H](C(=O)N)N 6E4 l-glutamamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5 6E5 n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N 6E6 1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O 6E7 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid +CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C 6E8 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3 6E9 n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N 6EA (1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine +Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O 6EB 8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O 6EC 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O 6ED 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid +c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl 6EE (betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5 6EF n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N 6EG n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3 6EH nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide +Cc1ccc(cc1)OS(=O)(=O)O 6EI (4-methylphenyl) hydrogen sulfate +c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F 6EJ (1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one +c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O 6EK (2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O 6EL 2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione +CC[C@@H](C(=O)N)[N+](C)(C)C 6EM (2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium +Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O 6EN 3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid +c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl 6EO 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid +Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl 6EP 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O 6EQ 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC 6ER (s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate +CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O 6ES (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate +c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl 6ET capsazepine +C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C 6EU resiniferatoxin +CSc1c2c(cs1)C=CC(=C)C2=O 6EV 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one +CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6EW n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +CC(=O)n1ccnc1 6EX 1-(1h-imidazol-1-yl)ethan-1-one +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl 6EY (6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one +c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F 6EZ (3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide +c1cc(c(c(c1)F)C(=O)O)N 6F0 2-azanyl-6-fluoranyl-benzoic acid +CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6F1 n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C 6F2 [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone +CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O 6F3 n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide +c1cc(sc1)CNc2nnc(s2)N 6F4 n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine +CC(C)CCCCC(=O)O 6F5 6-methylheptanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O 6F7 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) +CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O 6F8 3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol +CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1 6F9 7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide +Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O 6FA 6-hydroxy-flavin-adenine dinucleotide +c1cncc2c1cc3c(c2)cnc(n3)N 6FB pyrido[3,4-g]quinazolin-2-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FC 2'-trifluoromethylthio-2'-deoxycytidine +c1cncc2c1c(c3c(c2)cnc(n3)N)N 6FD pyrido[3,4-g]quinazoline-2,10-diamine +CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC 6FE 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline +CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6FF 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide +c1cocc1CCC(=O)N2CCCC2 6FG 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one +CC[C@H](C)CCCCC(=O)O 6FH (6~{s})-6-methyloctanoic acid +CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F 6FJ 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide +CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N 6FK [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F 6FL 5,5,5,5',5',5'-hexafluoro-l-leucine +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O 6FM 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 6FN 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) +c1c(nc2c(n1)N=C(NC2=O)N)C=O 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde +c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 6FQ 2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +C1CCC(C1)CCS(=O)(=O)N2CCCC2 6FR 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine +COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC 6FS n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine +c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N 6FT 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FU 2'-trifluoromethylthio-2'-deoxyuridine +c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O 6FV 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl 6FW 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O 6FX methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate +CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N 6FY (2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid +c1ccc2c(c1)CC(C2)C(=O)O 6FZ 2,3-dihydro-1h-indene-2-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 6G0 5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4 6G1 cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4 6G2 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine +CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F 6G3 n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N 6G4 4-oxononanoyl lysine +C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC 6G6 2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate +c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F 6G7 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br 6G9 2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid +c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO 6GA (2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O 6GB 6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose +CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GC n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide +CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F 6GD 6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine +Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O 6GE 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol +COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GF 6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl 6GG 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4 6GH n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine +c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N 6GI 13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine +CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O 6GJ (3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GK 6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +C(C[C@@H](C(=O)O)N)COP(=O)(O)O 6GL 5-(phosphonooxy)-l-norvaline +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol +c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O 6GN 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +COc1c2c(nc[nH]2)nc(n1)N 6GO 6-o-methylguanine +COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 6GP n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3 6GQ n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide +c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O 6GR 2-(alpha-l-altropyranosyloxy)benzoic acid +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F 6GS 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) +C(CCC(=O)O)CC(=O)C(=O)O 6GT 2-oxoheptanedioic acid +c1[nH]c2c(n1)c(nc(n2)N)Cl 6GU 6-chloroguanine +CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GV 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide +Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4 6GW 2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide +Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C 6GX n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide +CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl 6GY 5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine +Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O 6GZ (2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid +c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N 6H0 ~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide +c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F 6H1 6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol +c1ccn2cc(nc2c1)c3ccc(c(c3)O)O 6H2 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl 6H3 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl 6H4 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N 6H5 4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine +c1ccc2c(c1)N(C(=O)O2)CCC(=O)O 6H6 3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid +[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC 6H8 n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine +CNc1[nH]c2ccc(cc2n1)C(=O)NN 6H9 2-(methylamino)-1h-benzimidazole-5-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N 6HA 1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O 6HB 2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) +C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N 6HC 1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +CNc1[nH]c2ccc(cc2n1)C(=O)N 6HD 2-(methylamino)-1h-benzimidazole-5-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C 6HE 6-methy-6-depropionatehemin +CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C 6HF n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N 6HG 1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O 6HH 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid +CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O 6HI (3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid +Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 6HJ (r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC 6HK methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N 6HL (r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O 6HM [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid +C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N 6HN 6-nitro-l-norleucine +c1cc(cc(c1)F)C(=O)N2CC=CC2 6HO (2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone +CC(C)COC1=CC(=O)N(C(=O)N1C)C 6HP 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione +CC1(C(=O)NC(=O)N1C)C 6HQ 1,5,5-trimethylimidazolidine-2,4-dione +Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO 6HR 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O 6HS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O 6HT 1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC 6HU (2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol +Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3 6HV (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone +Cc1ccccc1c2cc(ccc2C)Nc3nccs3 6HW n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine +Cc1ccc(cc1c2ccccc2Cl)N 6HX 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine +C1=CC(=O)NC=C1C(=O)CCC(=O)O 6HY 4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid +Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 6HZ (2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone +Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4 6I4 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole +CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C 6I7 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole +CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6IA n6-isopentenyl-adenosine-5'-monophosphate +CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC 6IB 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine +C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F 6IC 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2 6ID ~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide +C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl 6IF methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside +CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC 6IG 6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine +COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6IH 4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O 6IK 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N 6IN 4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid +c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F 6IO ~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2 6IP 6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN 6IR 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide +c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl 6IT ~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +CC(=O)NCCNC(=O)C[N+](=O)[O-] 6IU n-(2-acetamidoethyl)-2-nitro-ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C 6IX (2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN 6IY (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate +c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3 6J0 n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine +Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-] 6J1 2,6-dinitro-p-cresol +C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J2 coenzyme f420-0 +Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O 6J3 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J4 coenzyme f420-3 +c1ccc(c(c1)OCc2[nH]nnn2)Cl 6J5 5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O 6J6 (2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O 6J7 2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one +CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O 6J8 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid +c1c[nH]c2c1c(ncn2)N3CCNCC3 6J9 4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine +CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N 6JA 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate +CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O 6JB [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid +Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 6JC 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O 6JD 4-(4-hydroxyphenyl)sulfonylphenol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C 6JE 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide +Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2 6JF 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid +CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3 6JG n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide +c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3 6JH 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O 6JI 5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one +c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3 6JJ 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole +c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O 6JM 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one +C(C(=O)CC(=O)O)C(=O)O 6JN 3-oxopentanedioic acid +c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O 6JO 3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one +COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O 6JP (2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6 6JQ n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide +c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O 6JR 3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one +COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5 6JS 3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO 6JT (3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO 6JU 2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide +CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O 6JV n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CCC1(C(=O)NC(=O)NC1=O)CCBr 6JW 5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C 6JX allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1 6JY n~2~-(benzenecarbonyl)-l-arginine +CCOCCOCCOCCOCCOCC 6JZ 3,6,9,12,15-pentaoxaheptadecane +CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F 6K0 n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl 6K1 n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide +CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N 6K2 2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O 6K3 heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside +CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl 6K4 n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide +c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K5 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6K6 n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate) +c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K7 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1 6K8 n-(benzenecarbonyl)glycyl-l-arginine +C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O 6K9 (1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) +Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F 6KA n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N 6KB 4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O 6KC n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C 6KD n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl 6KE (2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O 6KF (2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name) +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O 6KG nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O 6KH heptyl 3-fluoro-alpha-d-mannopyranoside +[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N 6KJ (5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KK (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC 6KL methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCC(=O)SC[C@@H](C(=O)O)N 6KM s-propanoyl-l-cysteine +Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F 6KN 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole +COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4 6KO [(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate +Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F 6KP 7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole +COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O 6KQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KR (3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F 6KS heptyl 2-fluoro-alpha-d-mannopyranoside +c1cc2c(cc1C(=O)N)sc(n2)N 6KT 2-amino-1,3-benzothiazole-6-carboxamide +CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O 6KU heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N 6KV 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O 6KW heptyl 3-deoxy-alpha-d-mannopyranoside +CC1=C(C(CCC1)(C)C)C=O 6KX beta-cyclocitral +CN(C)[C@@H](CC[Se]C)C(=O)O 6KY (2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid +CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3 6KZ n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide +C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O 6L0 (8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 6L1 5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC 6L2 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide +Cc1cc(c(c(c1)C)C(=O)OC)C 6L3 methyl 2,4,6-trimethylbenzoate +Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl 6L4 ~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N 6L5 (3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name) +CSC(=S)/C=C(/c1cccc(c1)O)\O 6L6 methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N 6L7 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N 6L8 (2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide +C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O 6L9 [(2s)-2,3-diamino-3-oxopropyl]propanedioic acid +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O 6LA methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +CCN1CCOCC1 6LB 4-ethylmorpholine +[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6LC 9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine +C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O 6LD sacubitrilat +c1cc(ccc1[C@@H](CN)O)Cl 6LE (1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol +C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO 6LF 2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol +C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4 6LG (1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate +c1cc(ccc1CN)S(=O)(=O)N 6LH 4-(aminomethyl)benzene-1-sulfonamide +c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl 6LI 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate) +c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4 6LJ 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile +Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C 6LK 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide +O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O 6LL tetrakis-(mu-oxo)-deca-oxo-trimolybdenum +C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O 6LM (3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid +C(CS)S 6LN ethane-1,2-dithiol +CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5 6LO n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide +c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN 6LP n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5 6LQ 2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide +C1COCCN1 6LR morpholine +CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O 6LS heptyl 2-deoxy-alpha-d-mannopyranoside +CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O 6LT 3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide +Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C 6LU 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide +COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N 6LV 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O 6LW (z)-l-arabinonhydroximo-1,4-lactone +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C 6LX n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide +c1cc(ccc1[C@@H](CN)O)Br 6LY (1s)-2-amino-1-(4-bromophenyl)ethan-1-ol +c1cc(ccc1C(=O)CN)F 6LZ 2-amino-1-(4-fluorophenyl)ethan-1-one +O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O 6M0 mo(6)-o(26) cluster +Cc1cccc(c1C(=O)O)N 6M1 2-amino-6-methylbenzoic acid +c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl 6M3 2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile +[B-]1(c2ccccc2CO1)(O)O 6M4 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium +COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6 6M5 (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N 6M6 s-[(2-phenylethyl)carbamothioyl]-l-cysteine +CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N 6M8 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine +B1(c2ccccc2CO1)O 6M9 2,1-benzoxaborol-1(3h)-ol +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MA n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C 6MB 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MC cis-n6-methyl-deoxy-adenosine-5'-monophosphate +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 6MD n-methyladenosine +C[C@H]1CCc2c(c(nc(n2)N)N)C1 6ME (6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6MG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide +CC1=CC=CC(=S)N1O 6MH 1-hydroxy-6-methylpyridine-2(1h)-thione +CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O 6MI 6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine +CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O 6MJ methyl beta-d-xylopyranoside +c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 6MK (2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid +O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S] 6ML oxygen-damaged sf4 +CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C 6MM 6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name) +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O 6MN 2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +[Mo+6] 6MO molybdenum(vi) ion +Cc1c2c(nc[nH]2)ncn1 6MP 6-methylpurine +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C 6MQ methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I 6MR n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan +c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N 6MS [6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MT trans-n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1cc(nc(n1)O)O 6MU 6-methylpyrimidine-2,4-diol +CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O 6MV 4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide +c1cnccc1[C@H]2N[C@H](CS2)C(=O)O 6MW (2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid +c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O 6MX 2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid +c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 6MY (1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6MZ n6-methyladenosine-5'-monophosphate +c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F 6N0 n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide +c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3 6N1 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide +[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3 6N2 n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine +CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O 6N3 (1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid +c1ccc2c(c1)[nH]c(n2)SCCO 6N4 2-(1h-benzimidazol-2-ylsulfanyl)ethanol +CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6N5 ~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +c1cc(sc1)c2nnc(s2)N 6N6 5-(2-thienyl)-1,3,4-thiadiazol-2-amine +c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3 6N8 n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O 6N9 (3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone +CCCCCC(=O)O 6NA hexanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F 6NB n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O 6NC 2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide] +Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 6ND 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 6NE (1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol +c1cnccc1c2cc(n[nH]2)NCC3CCCCC3 6NF n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6NG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N 6NH 2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc2cn[nH]c2cc1[N+](=O)[O-] 6NI 6-nitroindazole +c1ccc(cc1)CCc2c3ccccc3[nH]n2 6NJ 3-(2-phenylethyl)-1h-indazole +c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3 6NK 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide +C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3 6NL (2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one +c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3 6NM 4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine +CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 6NN p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6NO avilamycin +c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6 6NP 6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N 6NQ 2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N 6NR (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F 6NS (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid +c1cc2c(cc1[N+](=O)[O-])[nH]nn2 6NT 6-nitrobenzotriazole +CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F 6NU (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid +CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6NV ~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O 6NW 2'-o-methyl-5'-o-thiophosphonoadenosine +CNC(=O)NC1CCCCC1 6NX 1-cyclohexyl-3-methyl-urea +C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O 6NY 3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide +CCCC1=CC(=CNC1=O)C2CCCCC2 6NZ 5-cyclohexyl-3-propyl-1h-pyridin-2-one +CCCCN1C=CN(C1=[Au]Cl)C 6O0 (1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O 6O1 evernimicin +C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O 6O2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate +Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O 6O3 {[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid +c1cc(oc1)CCC(=O)O 6O5 3-(furan-2-yl)propanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O 6O6 plicamycin, mithramycin analogue mtm sa-trp +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O 6O7 plicamycin, mithramycin analogue mtm sa-phe +CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C 6O8 (4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium +CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C 6O9 (2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate +C(/C=C/C=C(/C(=O)O)\O)O 6OA (2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid +CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O 6OB (8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid +CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O 6OC (8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid +C(=C/C=O)\C=C(/C(=O)O)\N 6OD (2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid +CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC 6OE (2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6OG 6-o-methyl guanosine-5'-monophosphate +C(=C/C=O)\C=C(/C(=O)O)\O 6OH (2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3 6OJ 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO 6OK 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[As](O)O 6OL methylarsonous acid +C/C(=C/CO)/CO 6OM (2z)-2-methylbut-2-ene-1,4-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C 6ON 2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O 6OO 2'-o-methyl-5'-o-thiophosphonocytidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC 6OP 1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione +B1(C=CC=CN1)CC 6OQ 2-ethyl-1,2-dihydro-1,2-azaborinine +c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O 6OR 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid +c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N 6OS neplanocin-a +c1c(cc(cc1Cl)Cl)S(=O)(=O)N 6OT 3,5-dichlorobenzene-1-sulfonamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC 6OU [(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N 6OV 3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide +Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C 6OW 2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O 6OX 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 6OY ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3 6OZ 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole +Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P0 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC 6P1 5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P2 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +c1ccc(cc1)c2ccc(cn2)C(=O)O 6P3 6-phenylpyridine-3-carboxylic acid +Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C 6P4 2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C 6P5 4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole +CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3 6P6 1-(4-phenylazanylquinazolin-7-yl)ethanone +CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3 6P8 ~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6 6P9 [2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) +c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N 6PB 6-(3-bromophenyl)-7h-purin-2-amine +c1ccnc(c1)C(=O)O 6PC pyridine-2-carboxylic acid +c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7 6PD [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone +CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC 6PE 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine +COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C 6PF n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O 6PG 6-phosphogluconic acid +CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O 6PH (1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate +CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O 6PJ cy5.5-peg2 +[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6PK o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C 6PL (4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC 6PM 5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +CCCCCCc1ccc(c(c1)O)Oc2ccccc2 6PN 5-hexyl-2-phenoxyphenol +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6PO 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine +CC/C(=C\Cc1cccc(c1O)O)/C 6PP 3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol +Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC 6PQ 5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O 6PR (s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3 6PS 2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole +CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O 6PT 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid +CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F 6PU (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine +COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5 6PV 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide +Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO 6PW 1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol +[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N 6PX methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O 6PY 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon ic acid +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O 6PZ 5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3 6Q0 ~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide +CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4 6Q1 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one +COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4 6Q2 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one +Cc1cc(nc(n1)N)OCCCO 6Q3 3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol +CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F 6Q4 n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 6Q5 ursolic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C 6Q6 (3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one +CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O 6Q7 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid +Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3 6Q8 ~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide +Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2 6Q9 ~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide +C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O 6QA ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate +Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl 6QB 1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 6QC ~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O 6QD 5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid +Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C 6QE ~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide +c1ccc2c(c1)nc3cccc(c3n2)O 6QF phenazin-1-ol +Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4 6QG 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione +COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3 6QH 5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide +Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QJ (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone +COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC 6QK 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid +COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC 6QL 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid +CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC 6QM 4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol +CCNC(=O)C1=C(c2ccncc2NC1=O)O 6QN ~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QO (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F 6QP 2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide +[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O 6QQ 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3 6QR (2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C 6QS [(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate +c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O 6QT (2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F 6QU [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] 6QV (4-nitrophenoxy)-phenyl-phosphinic acid +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3 6QW ~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide +CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4 6QX ~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 6QY ~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine +CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6QZ (3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6R0 (3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5 6R1 ~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C 6R2 [bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid +C=CC(=O)C(=C)N 6R3 2-azanylpenta-1,4-dien-3-one +CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 6R4 methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate +Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C 6R5 methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate +c1cc(c(cc1[N+](=O)[O-])C(=O)O)N 6R6 5-nitroanthranilic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)O 6R7 5-nitrosalicylic acid +C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-] 6R8 (6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid +CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6R9 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3 6RB 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6 6RC 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine +Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6 6RD 5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N 6RE [[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium +C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N 6RF 4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N 6RG 2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine +c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O 6RH 4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid +c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F 6RI n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide +c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl 6RJ 4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide +C1CC(CCC1C(=O)O)N 6RK 4-azanylcyclohexane-1-carboxylic acid +CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N 6RL 2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO 6RM 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +COc1ccc(cc1)NCc2ccccn2 6RN 4-methoxy-n-[(pyridin-2-yl)methyl]aniline +CS(=O)(=O)Nc1ccc(cc1)Cl 6RO ~{n}-(4-chlorophenyl)methanesulfonamide +c1cnn(c1)C(C(=O)O)n2cccn2 6RP bis(pyrzol-1-yl)acetate scorpionate +Cc1cc2c(cc1C)nc([nH]2)N 6RQ 5,6-dimethyl-1~{h}-benzimidazol-2-amine +Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2 6RR ~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3 6RS ~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine +c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5 6RT 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine +CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3 6RU ~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F 6RV (1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C 6RW 2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine +CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O 6RX (5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3 6RY ~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C 6RZ 2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2 6S0 2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine +c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N 6S1 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O 6S2 methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside +Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C 6S3 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide +CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 6S4 (3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4 6S5 (s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide +C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O 6S6 (1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3 6S7 2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 6S8 (~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide +Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4 6S9 1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO 6SA acarbose derived hexasaccharide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 6SB taurodeoxycholate +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4 6SC 3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COc1ccc(cc1)c2cc([nH]n2)N 6SD 3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine +[SeH][Se][SeH] 6SE triselane +c1cc(c(cc1OCCN)Cl)Cl 6SF 2-[3,4-bis(chloranyl)phenoxy]ethanamine +C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N 6SG s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N 6SH 5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 6SJ 2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid +CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N 6SK (3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1ccc2c(c1)[nH]c(n2)c3cccnc3 6SL 2-pyridin-3-yl-1~{h}-benzimidazole +c1c(c(ncn1)C(=O)O)Cl 6SM 5-chloranylpyrimidine-4-carboxylic acid +c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl 6SN 5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine +c1cc2c(cc1Cl)c(c[nH]2)CCN 6SO 2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine +C1CNC[C@H]1O 6SP (3s)-pyrrolidin-3-ol +CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl 6SQ 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone +c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2 6SR 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one +CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C 6SS (3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7 6ST 4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid +COC(=O)c1cccc(c1)NS(=O)(=O)C 6SU methyl 3-(methylsulfonylamino)benzoate +C1CCC(CC1)NC(=O)NC[C@H]2CCCO2 6SV 1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O 6SW inosine-3',5'-cyclic monophosphate +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SX purine riboside-3',5'-cyclic monophosphate +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O 6SY uridine-3',5'-cyclic monophosphate +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SZ 2-aminopurine riboside-3',5'-cyclic monophosphate +CC(C)Cn1cnc2c1c3ccccc3nc2N 6T0 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine +c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl 6T1 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide +CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N 6T2 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine +c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5 6T3 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene +Cc1csc(n1)NC(=O)C 6T4 ~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide +CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C 6T5 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one +C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4 6T6 (2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine +c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O 6T7 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid +[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6T8 n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide +CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F 6T9 5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide +CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3 6TA ~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C 6TB 4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide +CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5 6TC ~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide +COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4 6TD 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole +CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C 6TE ~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O 6TF n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide +Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4 6TG (2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO 6TH (2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O 6TJ 3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6 6TL 5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide +c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl 6TM 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C 6TN [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone +c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O 6TO (3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC 6TP 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl 6TS [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F 6TT ~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide +COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C 6TU (1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid +CCCNCCNS(=O)(=O)c1cccc2c1ccnc2 6TV ~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide +CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3 6TW [(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium +C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 6TY 5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline +c1cc(cc(c1)F)c2cc[nH]n2 6TZ 3-(3-fluorophenyl)-1h-pyrazole +c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6U0 [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4 6U1 2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 6U2 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5 6U3 2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 6U4 [[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C 6U5 ~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide +c1cc2c(cc1Cl)nc(s2)CCC(=O)O 6U6 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid +Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4 6U7 6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine +CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br 6U8 (2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile +CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC 6U9 nimodipine +C1C(=NC(=O)NC1=O)N 6UA 6-aminopyrimidine-2,4(3h,5h)-dione +CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN 6UB amlodipine +CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C 6UC o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O 6UD 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid +Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5 6UE 1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea +c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4 6UF ~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide +Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F 6UG 2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide +Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UH 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4 6UI 4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4 6UJ 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea +Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UK 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC 6UL tetracosyl palmitate +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3 6UM 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea +C(=C/C(=O)C(=O)O)\C=C\O 6UN (3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3 6UO 2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate +[H]/N=C(\c1ccc2cccc(c2c1)N)/N 6UP 8-aminonaphthalene-2-carboximidamide +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6UQ (2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6UR [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6US [(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid +CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O 6UT [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O 6UU [2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O 6UV (2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F 6UW 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N 6UX 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea +c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N 6UY [(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6UZ omega-undecylenyl-beta-d-maltopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N 6V0 [[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N 6V1 (2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6V2 (2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide +CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6 6V3 1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V4 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V5 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC 6V6 [(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate +B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O 6V7 [(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid +B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O 6V8 [(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid +Cc1ncc(s1)C(=O)O 6V9 2-methyl-1,3-thiazole-5-carboxylic acid +CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O 6VA (3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O 6VB bromo-trisulfonatocalix[4]arene +CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O 6VC ~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide +CCc1cc(c2ccccc2n1)O 6VD 2-ethyl-4(1h)-quinolinone +c1cc(ccc1C[C@@H]([C@H](CO)O)N)O 6VF (2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 6VG ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate +C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O 6VH (1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O 6VJ phenyl-trisulfonatocalix[4]arene +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5 6VK (4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4 6VL (4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4 6VM (4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O 6VN 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid +CC(C)C[C@@H]([C@H](C(C)(C)O)O)N 6VO (3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol +c1cc(c(cc1[N+](=O)[O-])C#N)O 6VP 5-nitro-2-oxidanyl-benzenecarbonitrile +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O 6VQ [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C 6VR 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C 6VS 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC 6VU 1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide +C1C[C@H]([C@@H](C1)O)O 6VV (1~{r},2~{r})-cyclopentane-1,2-diol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 6VW (8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one +c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O 6VX (1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid +c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O 6VY (1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid +CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3 6VZ (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC 6W0 ~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5 6W1 4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +COc1ccc(cc1)S(=O)(=O)Nc2nccs2 6W2 4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C 6W3 4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6 6W4 (2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O 6W5 [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate +c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl 6W6 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O 6W7 [(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N 6W8 [(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 6W9 2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O 6WA 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid +c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O 6WB 2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O 6WC [2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid +C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F 6WD (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F 6WE (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 6WF 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene +c1ccc(cc1)[C@H]2CCCCN2C=O 6WG (2~{r})-2-phenylpiperidine-1-carbaldehyde +COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6 6WH (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N 6WI 3-(guanosine-5'-diphospho)-d-glycerate +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O 6WJ 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione +C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S 6WK (2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid +Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 6WL 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O 6WM (8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O 6WN (8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one +O=[W+4] 6WO oxo-tungsten(vi) +c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 6WP naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O 6WQ 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol +c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O 6WR (1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl 6WS 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene +c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl 6WT 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene +C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F 6WU (1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O 6WV (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O 6WW (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WX 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WY 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione +C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WZ 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC 6X0 4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl 6X1 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid +CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6X2 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C 6X3 4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O 6X4 [6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium +CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5 6X5 ~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +COc1cccc(c1OC)C(=O)O 6X6 2,3-dimethoxybenzoic acid +Cc1cc(cc(c1C(=O)O)O)O 6X7 2,4-dihydroxy-6-methyl benzoic acid +c1ccc(c(c1)O)I 6X8 2-iodanylphenol +CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C 6X9 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C(CCC(=O)NO)CCN 6XA 6-amino-n-hydroxyhexanamide +CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1 6XB 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone +CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3 6XC 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 6XD 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea +c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F 6XE 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O 6XF ~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide +CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1 6XH 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone +c1ccn(c1)c2ccsc2C(=O)O 6XI 3-pyrrol-1-ylthiophene-2-carboxylic acid +CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N 6XJ (3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide +CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 6XK ~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO 6XL 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one +c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8 6XM 8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate +C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F 6XN ~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide +CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O 6XO (2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl 6XP (2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide +Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC 6XQ (3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid +c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O 6XR (4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F 6XS 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4 6XT ~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F 6XU (2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid +c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4 6XV 4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N 6XW 5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC 6XX 8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br 6XY bromopromazine +COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O 6XZ 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one +CCCCC1=CC(=O)Oc2c1ccc(c2O)O 6Y0 4-butyl-7,8-bis(oxidanyl)chromen-2-one +c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH] 6Y1 ~{n}-(1-adamantyl)-2-selanyl-benzamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O 6Y2 ~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide +c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH] 6Y3 ~{n}-(4-aminophenyl)-2-selanyl-benzamide +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO 6Y4 [2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol +C(CC(=O)C(=O)O)CF 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC 6Y6 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto -non-2-enonic acid +CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O 6Y7 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F 6Y8 (6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole +C[C@@]1(CCCN1C)C(=O)O 6Y9 (2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid +CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl 6YA 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one +[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6YB (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid +COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2 6YC ~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide +Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C 6YD ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide +Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4 6YE ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F 6YF n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide +COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 6YG 2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one +c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N 6YH 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide +C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O 6YJ (2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid +CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C 6YK (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid +Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F 6YL 2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide +c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F 6YN ~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine +CCCCc1ccc(cc1)S(=O)(=O)N 6YP 4-butylbenzenesulfonamide +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N 6YQ 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O 6YR methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside +c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F 6YS (1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O 6YT n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C 6YU fad-mdl72527 adduct +B(c1ccccc1/C=C/C(=O)O)(O)O 6YV (~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YW [oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YX [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YY bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N 6YZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid +[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 6Z0 n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 6Z1 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C 6Z2 7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O 6Z3 (2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 6Z4 (3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C 6Z5 5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one +COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N 6Z6 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile +COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4 6Z7 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C 6Z8 8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione +c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 6Z9 3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N 6ZA 2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N 6ZB n-hydroxy-l-tryptophanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O 6ZC 4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N 6ZD 5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine +CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C 6ZE 2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3 6ZF 7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine +Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3 6ZG ~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N 6ZH [[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium +c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F 6ZI 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide +C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O 6ZJ iron(iii) dicitrate +c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N 6ZK 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide +CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 6ZL 2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1 6ZM 1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one +c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6 6ZN 6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one +c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2 6ZO (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4 6ZP 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile +CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F 6ZQ 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one +C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 6ZR (3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +CC[C@@](C)(C(=O)O)N 6ZS l-isovaline +Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl 6ZT (4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3 6ZU 3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate +CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F 6ZV n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine +CCN(CC)c1ccc2c(c1)OC(=O)C=C2C 6ZW 7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one +C/C(=C\C(=O)O)/c1ccc(cc1)Cl 6ZX (e)-3-(4-chlorophenyl)but-2-enoic acid +Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C 6ZY 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5 6ZZ 7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl 700 [5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl 701 (2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide +c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O 702 (1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid +c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5 703 5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one +C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 704 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 705 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C 706 n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide +COc1ccc(cc1Br)C(=O)NCCC(=O)O 707 n-(3-bromo-4-methoxybenzoyl)-beta-alanine +CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 708 3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N 709 n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C 70A (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O 70B bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C 70C 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C 70D 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid +CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O 70E 6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose +Cc1cccc2c1[C@H](CCC2)CCC(=O)O 70G 3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid +Cc1cccc2c1c(ccc2)/C=C/CC(=O)O 70H (3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid +CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O 70J 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5 70K 6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 70L 1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide +c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N 70M 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile +CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F 70N [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C 70O 3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide +C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C 70P (4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one +CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4 70Q 3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O 70R (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid +c1cc2c(cc1N)c[nH]n2 70S 2h-indazol-5-amine +Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] 70T 2-methyl-5-nitro-1h-indole +COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 70U 5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate +CC1C(=O)CCCC1=O 70V 2-methylcyclohexane-1,3-dione +CC(C)(C)OC(=O)N1CCC(CC1)N 70W tert-butyl 4-aminopiperidine-1-carboxylate +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C 70X n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C 70Y (2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one +CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4 70Z ~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO 710 (5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol +Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C 711 7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N 712 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C 713 n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide +CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 714 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N 715 (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl 716 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide +c1csc2n1cc(n2)CO 717 imidazo[2,1-b][1,3]thiazol-6-ylmethanol +c1cc2c(cc1O)CCCC2=O 718 6-hydroxy-3,4-dihydronaphthalen-1(2h)-one +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F 719 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1cc(cnc1)O 71A pyridin-3-ol +COc1ccc(cc1F)N 71B 3-fluoro-4-methoxyaniline +c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O 71C 5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N 71D (2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de +CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O 71E dz 2384 +COc1ccccc1C(=O)O 71F 2-methoxybenzoic acid +c1cc(cc(c1)N)C#N 71G 3-aminobenzonitrile +CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F 71H ~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide +CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 71I (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol +C1CC(CCC1O)O 71J trans-cyclohexane-1,4-diol +Cc1c(cccc1N)N 71K 2-methylbenzene-1,3-diamine +Cc1cc(nc(c1)N)C 71L 4,6-dimethylpyridin-2-amine +Cc1cccc(n1)N 71M 6-methylpyridin-2-amine +c1cc2c(cc1N)nc([nH]2)C(F)(F)F 71N 2-(trifluoromethyl)-1h-benzimidazol-5-amine +c1cnc(nc1)O 71O pyrimidin-2-ol +CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC 71P ~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F 71Q n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O 71R dihydrostreptomycin +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN 71S 6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine +COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4 71T 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN 71U (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N 71V [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 71W (1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C 71X ~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C 71Y ~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide +CCCn1cc(nc1)C[C@H](CCCN)C(=O)O 720 (2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid +CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 721 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium +CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 722 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium +c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O 723 (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid +C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC 724 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione +CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N 725 6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N 726 6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4 727 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione +c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 728 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 729 n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS 72B [(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C 72C 4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N 72D 4-(phenyl)-benzenesulfonamide +Cc1ccccc1c2ccc(cc2)S(=O)(=O)N 72E 4-(2-methylphenyl)-benzenesulfonamide +Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F 72F n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide +c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O 72G 4-(3-formylphenyl)-benzenesulfonamide +c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N 72H 4-(3-quinolinyl)-benzenesulfonamide +I[Hg-2](I)(I)I 72I tetraiodomercurate(2-) +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO 72J 7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp +Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5 72K 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N 72L 4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide +Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 72M ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide +Cc1nnc(n1c2ccccc2)C3CC3 72N 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole +Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3 72O 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole +Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O 72P 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid +CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N 72Q 3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1cc2c(cc1F)C(=O)C(=O)N2 72R 5-fluoranyl-1~{h}-indole-2,3-dione +Cc1cccc2c1NC(=O)C2=O 72S 7-methyl-1~{h}-indole-2,3-dione +c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O 72T 7-(trifluoromethyl)-1~{h}-indole-2,3-dione +COC(=O)c1cccc2c1NC(=O)C2=O 72U methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate +CN1c2ccccc2C(=O)C1=O 72V 1-methylindole-2,3-dione +CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 72W ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide +CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O 72X (3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N 72Y 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N 730 (s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide +Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4 731 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl 732 5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide +Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl 733 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide +c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl 734 5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O 735 2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid +CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl 736 (11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C 737 n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide +c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F 738 n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide +CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N 739 2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone +CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N 73A (2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl 73B 4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid +CCCCOC[C@@H](C(=O)O)N 73C (2~{s})-2-azanyl-3-butoxy-propanoic acid +CCN1c2ccccc2C(=O)C1=O 73D 1-ethylindole-2,3-dione +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 73E (1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol +c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O 73F 1-(2-phenylethyl)indole-2,3-dione +CCCCOC(=O)CN1c2ccccc2C(=O)C1=O 73G butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate +c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F 73H 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O 73I (1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F 73J ~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4 73K n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O 73L 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione +N[Pt](N)(O)Cl 73M bis(azanyl)-chloranyl-oxidanyl-platinum +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O 73N (2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid +c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O (2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid +C(CCN)C[C@@H](C(=O)O)NC(=O)O 73P (2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid +Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O 73Q 6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one +CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C 73R (3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5 73S 2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide +Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F 73T 6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide +Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC 73U 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3 73V benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O 73W 5'-o-[(dithiophosphono)]cytidine +c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl 73X 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br 73Y 6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N 73Z 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5 740 n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide +Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC 741 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile +CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O 742 (2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium +CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C 743 (1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile +Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl 744 (3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N 745 trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C 746 4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide +CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O 747 (5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5 748 n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide +CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C 749 [(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C 74A n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F 74B (4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +[CH3] 74C methyl radical +Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC 74D 1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N 74E 2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5 74F 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine +C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 74G 4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium +Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5 74H 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5 74J 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5 74K 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5 74L 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC 74M methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5 74N 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide +Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5 74O 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine +CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O 74P (e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine +Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6 74Q 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7 74S 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7 74T (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate +c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4 74U n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine +CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C 74V n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74W 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74X 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea +Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3 74Y (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone +c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4 74Z n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6 750 5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide +COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC 751 2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine +c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O 752 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC 753 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid +CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C 754 (2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid +CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl 755 4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid +Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4 756 [(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone +CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 757 5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid +CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl 758 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C 759 (2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N 75A n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 75B 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O 75C 5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C 75D 2,4,6-tri(propan-2-yl)benzenesulfonic acid +c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4 75F (4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N 75G (2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one +CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 75H n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N 75J 2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +Cc1nc2c(o1)C=C(OC2=O)C 75K 2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C 75L 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N 75M 4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C 75N 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O 75O 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid +COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4 75P 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine +Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75Q 1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C 75R 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75S 1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4 75T 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine +CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3 75U ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 75V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine +[H]/N=N/c1ccc(cc1)S(=O)(=O)N 75W 4-[(e)-diazenyl]benzene-1-sulfonamide +Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 75X 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol +c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N 75Y 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F 75Z n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4 760 9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine +c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O 761 3-(oxalyl-amino)-naphthalene-2-carboxylic acid +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl 762 3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F 763 5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N 765 5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F 766 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC 767 n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine +[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4 768 (2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F 769 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide +c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O 76A 3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide +Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 76B 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide +Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N 76C 2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C 76D 2,4,6-tri(propan-2-yl)benzoic acid +c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F 76E 2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide +CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC 76F (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F 76G 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide +CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76H [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium +CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76J [(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N 76K [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium +C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 76L [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium +CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76M [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium +c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 76O [(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium +CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-] 76P ~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine +Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C 76Q 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C 76R [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F 76S 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide +c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5 76T 5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O 76U (4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 76V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine +c1cc(c(nc1)N)N 76X pyridine-2,3-diamine +c1ccc(c(c1)Cn2cccc2C(=O)N)Cl 76Y 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide +CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O 76Z 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide +c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl 770 n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide +COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N 771 4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine +c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N 772 2-cyanoquinolin-8-yl dihydrogen phosphate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C 773 cethromycin +c1cc(nc-2c1OCCc3c2scc3)C(=O)N 774 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide +CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1 775 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O 777 [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid +c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N 778 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4 779 1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea +C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl 77A 1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4 77B benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl 77C 2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile +CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C 77D 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O 77E (4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O 77F n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F 77G n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F 77H n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O 77I (1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO 77J n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide +Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F 77K 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F 77L 5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F 77M n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F 77N n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(oc1)CNc2cncc(n2)Cl 77O 6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F 77P n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F 77Q 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F 77R 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide +c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 77S n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O 77T 2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O 77U 2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5 77V n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine +C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O 77W (2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid +CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1 77X 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one +c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 77Y 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 77Z 2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 780 3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +CCC(=O)Nc1ccc2c(c1)cccc2O 781 n-(5-hydroxynaphthalen-2-yl)propanamide +CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O 782 (2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid +COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4 783 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N 784 [amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F 785 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate +C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O 786 (2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide +c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O 787 (phenyl-phosphono-methyl)-phosphonic acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5 788 n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O 789 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3 78A n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline +CCOC(=O)c1ccc(cc1)CN 78B ethyl 4-(aminomethyl)benzoate +c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3 78C cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate +C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O 78D (6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid +CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O 78E 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC 78F (2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid +COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N 78G 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N 78H 7,8-dihydropteroate +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4 78J (3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one +COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78K (2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 78L ~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide +CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 78M (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 78N (2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2 78O (2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid +C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 78P (2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium +C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O 78Q (2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid +C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC 78R 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C 78S (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +OP(=O)[O-] 78T oxidanylphosphinate +C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N 78U (betas)-beta-methyl-l-tryptophan +COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78V 4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one +CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F 78W 2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC 78X 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +Cc1c(nn(n1)c2ccccc2)C(=O)N 78Y 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F 78Z 2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1cc2c(c(c1)OP(=O)(O)O)NCCC2 790 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate +c1ccc(cc1)C(C(=O)O)C(=O)O 791 2-phenylmalonic acid +CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O 792 n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan +C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3 793 3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione +c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O 794 2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid +c1cc(cnc1)c2nc(cs2)C=O 795 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde +CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN 796 n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide +c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O 797 3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol +c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4 798 {4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone +Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N 799 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide +CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N 79A 3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 79B 11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N 79D 4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 79E jc96 +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O 79F (2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid +CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC 79G (4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C 79H 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N 79I 3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C 79J 4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl 79K vercirnon +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O 79L (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 79M (2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 79N (2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl 79O 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O 79P (2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 79Q 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C 79R (~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C 79S (2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide +CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N 79T 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide +CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F 79U 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid +c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F 79V (2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile +c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O 79W 3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde +COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O 79X 2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4 79Y n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4 79Z 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5 7A0 [(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4 7A1 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide +C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O 7A2 3-c-carboxy-2-deoxy-l-threo-pentaric acid +C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O 7A3 3-c-carboxy-2-deoxy-d-erythro-pentaric acid +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O 7A4 [(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid +C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F 7A5 (8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O 7A6 (2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol +[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC 7A7 methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=CC[C@@H](CC1)N(C)C 7A8 (1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine +c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5 7A9 palonosetron +COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl 7AA methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C 7AB (2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde +Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN 7AC 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile +CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N 7AD 9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5 7AE n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 7AF ~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3 7AG ~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide +c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F 7AH 2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O 7AI (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl 7AJ 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O 7AK (+)-discodermolide +C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl 7AL chlorolissoclimide +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O 7AM [[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid +CC(=O)NCCc1c[nH]c2c1cccc2 7AN ~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O 7AO [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate +C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O 7AP (1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol +c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl 7AR (2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid +[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F 7AS 4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide +c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N 7AT 1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5 7AU (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol +CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl 7AV {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone +CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3 7AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N 7AX 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N 7AY 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O 7AZ phosphonato-calix[6]arene +C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N 7B0 (2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid +c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N 7B1 n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide +Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C 7B2 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde +Cc1c2cnnc(c2c(n1C)C)OC 7B3 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +Cc1c2cnnc(c2c(n1C)C)Cl 7B4 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C 7B5 methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate +C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O 7B6 (2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 7B7 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N 7B8 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O 7B9 [5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC 7BA combretastatin a4 +C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N 7BB trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid +C=CC(=O)OCCC(=O)O 7BC 3-(acryloyloxy)propanoic acid +c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O 7BD 3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid +CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C 7BE (2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid +c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5 7BF 5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 7BG 2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium +Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3 7BH 6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine +c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F 7BJ 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione +C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7BK 2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C 7BL (4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BN (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BO (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F 7BP 5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7BQ (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F 7BR 2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C 7BS (4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside +COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 7BT (~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide +c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F 7BU [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc +c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O 7BV (4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C 7BW 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile +c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N 7BX 3-cyano-~{n}-cyclopropyl-benzenesulfonamide +CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC 7BY n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide +BN(C)C 7BZ n,n-dimethylboranamine +c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O 7C0 (1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate +[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N 7C1 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide +CCCCC[C@H](CCCCCN)OC(=O)O 7C2 (6r)-1-aminoundecan-6-yl hydrogen carbonate +C(CCN)CC(=O)C(=O)O 7C3 6-azanyl-2-oxidanylidene-hexanoic acid +CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O 7C4 (2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide +c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7C5 5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine +C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C 7C6 (3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7C7 n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7C8 [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate +COC[C@@H](C(=O)O)N 7C9 o-methyl-l-serine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O 7CA 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +c1cc2cnccc2c(c1)S(=O)(=O)N 7CB isoquinoline-5-sulfonamide +CCN(CC)C(=O)C[C@@H](C(=O)O)N 7CC n,n-diethyl-l-asparagine +c1ccc2c(c1)cccc2CN 7CD 1-(naphthalen-1-yl)methanamine +COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2 7CE n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7CF [3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br 7CG 2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 7CH (2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N 7CI 7-cyano-7-deazainosine +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F 7CJ 3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O 7CK 7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +CCCCCCl 7CL 1-chloropentane +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F 7CM 3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br 7CN 3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F 7CO 2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C 7CP (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br 7CQ 5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide +c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2 7CR [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4 7CS (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate +CNS(=O)(=O)c1cccc2c1ccnc2 7CT ~{n}-methylisoquinoline-5-sulfonamide +C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N 7CU 5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O 7CV 6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose +C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C 7CW [3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N 7CY (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol +C1=CC=C(C(=S)C=C1)O 7CZ 2-hydroxycyclohepta-2,4,6-triene-1-thione +c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO 7D0 (1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol +C1CO[C@@H]([C@H]([C@@H]1O)O)CO 7D1 1,5-anhydro-2-deoxy-d-arabino-hexitol +C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO 7D2 (1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N 7D3 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N 7D4 [[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N 7D5 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate +CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O 7D6 (s)-orteronel +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N 7D7 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol +C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO 7D8 (1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C 7D9 (16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid +c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7DA 7-deaza-2'-deoxyadenosine-5'-monophosphate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7DB (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DC 4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 7DD 7-deazaadenosine-5'-diphosphate +CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C 7DE 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester +CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7DF dihydropentalenolactone f +C1C=NC2=C1C(=O)NC(=N2)N 7DG 7-deazaguanine +C(C=CC(=O)C(=O)O)O 7DH (3e)-5-hydroxy-2-oxopent-3-enoic acid +[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 7DI pf-07321332, bound form +C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O 7DJ n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DK methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DL ((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O 7DM 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid +Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O 7DN 2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid +CC(=O)NCCc1ccc(c(c1)O)O 7DP ~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N 7DQ 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3 7DR 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DS methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 7DT 7-deazaadenosine-5'-triphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DU (2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide +Cc1cc(ccc1O)O 7DV 2-methylbenzene-1,4-diol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O 7DW 11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O 7DX (2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid +C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F 7DY n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 7DZ (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C 7E0 trichothecene +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O 7E1 6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O 7E3 5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 7E4 11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O 7E5 (2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid +Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C 7E7 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine +CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 7E8 (2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +CCCCCC/C=C\CCCCCC(=O)OC(CO)CO 7E9 1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate +Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC 7EA 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine +CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7EB 4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O 7EC 4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O 7ED 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O 7EE (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol +CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C 7EF 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O 7EG 2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol +Cn1c2c(cc(cn2)c3ccccc3)nc1N 7EH 3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7EI (1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4 7EJ 1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC 7EK 5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O 7EL 2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol +c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O 7EM 4,4',4''-(thiene-2,3,5-triyl)triphenol +c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O 7EN (1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O 7EO 2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 7EP (2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O 7EQ 2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O 7ER 3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O 7ES 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7ET 3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O 7EV 5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +C1CC[C@H]2[C@@H](C1)O2 7EX (1r,6s)-7-oxabicyclo[4.1.0]heptane +Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O 7EY 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid +CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O 7EZ (4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5 7F1 (2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide +CCCCCC[C@H](CO)O 7F2 (2r)-octane-1,2-diol +c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N 7F3 (1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine +C1CCNC(=O)[C@@H](C1)N 7F4 (3~{r})-3-azanylazepan-2-one +Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F 7F5 3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O 7F6 (1r,2r)-1,2-diphenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O 7F7 [6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O 7F9 ~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide +CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F 7FA methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate +CCCC[C@H](CO)O 7FB (2r)-hexane-1,2-diol +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O 7FC 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid +CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O 7FD ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl 7FE ~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide +COC(=O)N1CCCc2c1ccc(c2)N 7FF methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate +CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 7FG ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate +C1=CC(=S)N(C=C1C(F)(F)F)O 7FH 1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione +c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 7FJ 4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol +CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O 7FK 15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione +c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O 7FL 4,4'-(cycloheptylidenemethylene)diphenol +CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F 7FM 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one +c1cc(oc1C(=O)O)C(=O)O 7FN 2,5 furan dicarboxylic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O 7FO 4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7FP 4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O 7FQ (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol +CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FR (9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol +CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FS (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4 7FT 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine +c1cc2c(cc1C(=O)NN)sc(n2)NN 7FU 2-hydrazino-1,3-benzothiazole-6-carbohydrazide +Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C 7FV [2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone +CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O 7FW ~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide +c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F 7FX [2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3 7FY ~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide +Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O 7FZ (1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O 7G0 (1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O 7G1 (1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol +c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O 7G2 3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O 7G3 3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91 7G4 ruthenocene +c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O 7G5 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione +CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 7G6 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO 7G7 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F 7G8 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F 7G9 ~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide +C[C@@H](CC(C)C)C(=O)O 7GA 2,4-dimethylpentanal +C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5 7GB 6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2 7GC 4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide +c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N 7GD 7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl 7GE pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-) +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN 7GF methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate +CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3 7GG 6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine +C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C 7GI repotrectinib +CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 7GJ 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide +c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4 7GK 2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C 7GL 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC 7GM (3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine +CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 7GP n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N 7GQ n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O 7GR (2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid +CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O 7GS {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5 7GT {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7GU 7-deaza-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4 7GV {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone +C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O 7GW (2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O 7GX 6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O 7GY 6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O 7GZ 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C 7H0 7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 7H1 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide +CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N 7H2 (1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile +c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F 7H3 n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide +CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2 7H4 1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 7H5 (3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C 7H6 (1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid +Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C 7H7 (1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7H8 1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C 7H9 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC 7HA n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl 7HC (2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl 7HD 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole +Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C 7HE 7-methyl-7-depropionatehemin +CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C 7HF 1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea +C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC 7HG 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O 7HH n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine +CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4 7HI (3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4 7HJ n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide +COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4 7HK methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O 7HL 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid +c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O 7HM 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 7HN 3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid +c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O 7HO 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid +c1c2c(c(ncn2)O)[nH]n1 7HP 7-hydroxy-pyrazolo[4,3-d]pyrimidine +c1ccc2c(c1)ncn2CO 7HQ benzimidazol-1-ylmethanol +CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F 7HR ~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C 7HS (s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide +Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C 7HT 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C 7HU 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl 7HV 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid +CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O 7HW (4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid +c1c[nH]c2c1c(ncn2)O 7HX 7h-pyrrolo[2,3-d]pyrimidin-4-ol +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7HY n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3 7HZ n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F 7I0 (2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5 7I1 3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide +c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N 7I2 7-nitroindazole-2-carboxamidine +c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7I5 (2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid +CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N 7I6 1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O 7I9 (1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O 7IA [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N 7ID (2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid +c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl 7IE flupyradifurone +COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F 7IF n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F 7IG 5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine +CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4 7IH n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide +CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C 7II sulfoxaflor +C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C 7IK (7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one +C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O 7IM n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N 7IN n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide +COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N 7IP 6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine +C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O 7IQ (5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6 7IZ 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4 7J0 (2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4 7J1 (2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name) +Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C 7J2 (4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one +C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N 7J3 (2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid +CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N 7J4 n-tert-butoxy-l-asparagine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N 7J5 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide +C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7J6 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone +Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 7J8 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O 7J9 6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid +CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O 7JA n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O 7JB ~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C 7JC 1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide +c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F 7JD 6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 7JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F 7JF 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F 7JG 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O 7JH 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl 7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione +c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F 7JJ 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C 7JK 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one +c1c(cc(c2c1C(=O)NC=N2)O)Br 7JL 6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O 7JM 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O 7JN 4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide +C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F 7JO n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F 7JP 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one +c1cc(ccc1c2cc3cncnc3c(c2)O)F 7JQ 6-(4-fluorophenyl)quinazolin-8-ol +CN1C=C(C=C(C1=O)O)c2ccccc2 7JR 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one +c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F 7JS 6-(4-fluorophenyl)quinolin-8-ol +c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2 7JT (3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F 7JU 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O 7JV 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one +c1cc(ccc1c2cc3c(c(c2)O)nccn3)F 7JW 7-(4-fluorophenyl)quinoxalin-5-ol +c1c2cc(cnc2c(cc1Br)O)Cl 7JX 6-bromanyl-3-chloranyl-quinolin-8-ol +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O 7JY 7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O 7JZ 2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O 7K0 (2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid +Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6 7K1 1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7K2 [(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O 7K3 1-thio-alpha-d-mannopyranose +C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7K4 2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O 7K6 7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3 7K7 5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline +C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 7K8 [(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O 7K9 n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) +C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N 7KA 4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline +Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C 7KC pf-3758309 +CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F 7KD ~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1cc(ccc1c2nc(on2)CCCO)Cl 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol +Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O 7KF 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one +Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O 7KG 6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one +[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 7KH ~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine +Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2 7KJ (7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl 7KK 4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O 7KL 3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3 7KM 4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4 7KN [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide +c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl 7KO 6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 7KP (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KQ (5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KR (11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6 7KS (5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +Cc1cc(c(c(c1)C)S(=O)(=O)NC)C 7KT ~{n},2,4,6-tetramethylbenzenesulfonamide +CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2 7KU 1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3 7KV 1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one +c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4 7KW n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine +CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2 7KX n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O 7KY methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate +CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 7KZ n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine +CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C 7L0 n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O 7L1 s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C 7L2 [[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C 7L3 (5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide +c1ccc(cc1)c2cc(c3ccccc3n2)O 7L4 2-phenylquinolin-4-ol +Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl 7L5 2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC 7L6 6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N 7L7 methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7 7L8 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O 7L9 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid +C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC 7LB (e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine +CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C 7LD (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide +CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7LE (5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid +Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F 7LF 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C 7LG (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid +c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O 7LH (1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid +CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3 7LI (5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione +Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4 7LK 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O 7LL 2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O 7LM n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide +c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N 7LN n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC 7LO [[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O 7LP (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide +C1C=C[C@H]([C@@H]([C@H]1CO)O)O 7LQ (1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol +CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7LR n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide +c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 7LS 2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl 7LT (5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O 7LU 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one +CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl 7LV 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C 7LW (5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone +CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2 7LX (2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid +c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5 7LY 2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O 7LZ (3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one +c1c2c(cc(c1Br)Br)nn[nH]2 7M0 5,6-dibromobenzotriazole +c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O 7M1 phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4 7M2 (4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline +CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N 7M3 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7M4 6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4 7M5 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline +c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF 7M6 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide +c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O 7M7 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C 7M8 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O 7M9 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol +CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C 7MA n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide +CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O 7MB agelastatin a +CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7MC 5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N 7MD 5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine +C[C@H]1CCc2c(nc(nc2N)N)C1 7ME (7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br 7MF [(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7MG 7n-methyl-8-hydroguanosine-5'-monophosphate +CC1=CC(=S)N(C(=C1)C)O 7MH 1-hydroxy-4,6-dimethylpyridine-2(1h)-thione +C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C 7MI methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4 7MJ 3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide +c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+] 7MK [(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O 7ML [(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8 7MM methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate +CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O 7MN (z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium +Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F 7MP 7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C 7MQ menaquinone-7 (altered) +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N 7MR (2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide +CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7MS (5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid +c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9 7MT tb-xo4 +CNC(=O)c1cc(ccn1)Cl 7MU 4-chloranyl-~{n}-methyl-pyridine-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl 7MV n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide +CCC(=O)c1cc([nH]c1)C(=O)OC 7MW methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate +CCOC(=O)C1=CN(C(=O)C=C1Cl)C 7MX ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate +CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C 7MY 7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one +CC(=O)c1cccc(c1)Oc2ncccn2 7MZ 1-(3-pyrimidin-2-yloxyphenyl)ethanone +C1C[C@H](C(=O)C1)CC(=O)O 7N0 2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid +c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F 7N1 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile +c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5 7N2 (4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline +c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N 7N3 2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide +B(c1ccc(c(c1)Cl)OCc2ccccc2F)O 7N4 {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid +CCCCC(=O)C(=O)O 7N5 2-ketohexanoic acid +CCCC[C@H](C(=O)O)O 7N6 (2r)-2-hydroxyhexanoic acid +B(c1ccc2ccccc2c1)(O)O 7N7 naphthalen-2-ylboronic acid +B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O 7N8 4-borono-l-phenylalanine +COc1ccc(cc1C[NH3+])Cl 7N9 (5-chloranyl-2-methoxy-phenyl)methylazanium +Cc1cc(cc2c1ccc(c2C(=O)O)O)OC 7NA 2-hydroxy-7-methoxy-5-methyl naphthoic acid +CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F 7NB 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3 7NC 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one +B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O 7ND (3-bromo-5-phenoxyphenyl)boronic acid +CCOC(=O)c1nc(cs1)C(=O)O 7NF 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid +CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C 7NG 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide +c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N 7NH [2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea +c1cc2cn[nH]c2c(c1)[N+](=O)[O-] 7NI 7-nitroindazole +B(c1ccc(c(c1)Br)C)(O)O 7NJ (3-bromo-4-methylphenyl)boronic acid +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NL 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +B(c1ccc(c(c1)OCc2ccccc2)C)O 7NM [3-(benzyloxy)-4-methylphenyl]borinic acid +C[C@H]1CCc2ccc(cc2C1=O)OC 7NP (2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one +CCC(=O)Nc1nc2ccccc2c(n1)OCC 7NQ ~{n}-(4-ethoxyquinazolin-2-yl)propanamide +B(c1cc(cc(c1)Br)N2CCCC2)O 7NS [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid +CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3 7NT ~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O 7NU phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside +CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 7NV 5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1nc(cs1)C(=O)O 7NW 2-methyl-1,3-thiazole-4-carboxylic acid +C1CCC(CC1)COC(=O)O 7NX cyclohexylmethyl hydrogen carbonate +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NZ 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O 7O0 (~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 7O2 [(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O 7O3 2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide +c1cc(oc1)c2cc([nH]n2)C(=O)O 7O4 3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid +C([C@@H](C(=O)O)N)NC(=O)CS 7O5 (2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid +Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O 7O6 [(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7O7 (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl 7O8 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O 7O9 (2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7OA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-] 7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate +CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC 7OC [3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate +CC[C@H](C/C=C(\C)/C(=O)O)O 7OD (2e,5r)-5-hydroxy-2-methylhept-2-enoic acid +C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F 7OE 4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine +c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl 7OF (~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide +Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4 7OG [(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone +c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 7OI (1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F 7OJ (3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 7OK n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer +c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OL (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol +Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4 7OM (3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O 7OO [(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F 7OP [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone +c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OQ (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O 7OR (1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O 7OS (2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C 7OT spheroidene +c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2 7OU 6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F 7OV [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C 7OX 7-oxo-simocyclinone d8 +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F 7OY (3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C(CF)[C@@H](C(=O)O)N 7OZ (s)-2-amino-4-fluorobutanoic acid +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O 7P0 n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O 7P1 2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O 7P2 2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O 7P3 2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F 7P4 [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone +[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7 7P7 n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O 7P9 [(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate +C(CP(=O)(O)O)CP(=O)(O)O 7PA propane-1,3-diylbis(phosphonic acid) +c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN 7PC 2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol +C1=NC2=C(NC1=O)N=C(NC2=O)N 7PD 2-aminopteridine-4,7(3h,8h)-dione +CCOCCOCCOCCOCCOCCOCCO 7PE 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol +CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7PF pentalenolactone f +COCCOCCOCCOCCOCCOCCOCCOCCO 7PG 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O 7PH (1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate +C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N 7PJ [(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N 7PM (2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O 7PP 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN 7PQ 4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CC(=O)O[Pr](OC(=O)C)OC(=O)C 7PR praseodymium triacetate +CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N 7PS 2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide +C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O 7PT pentalenolactone +c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N 7PV 4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F 7PW n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4 7PY 7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2 7Q1 (5r)-5-phenyl-1,3-oxazolidine-2,4-dione +COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7Q5 methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5 7Q7 2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 7Q9 [(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate +C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O 7QA (2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O 7QB (2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide +C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O 7QD (2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid +C(=N/O)(\C(=O)O)/C(F)(F)F 7QE (2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid +C(=NNC(=O)N)(C(=O)O)C(F)(F)F 7QH (2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid +CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O 7QM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O 7QN (e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O 7QP (1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid +CC(=O)Nc1nc2cc(ccc2s1)OC 7QQ n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide +c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2 7QS (5r)-5-phenyl-1,3-thiazolidine-2,4-dione +CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl 7QU 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2 7QV (5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2 7QY (5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 7R0 2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2 7R1 (5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC 7R2 n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide +c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4 7R3 (2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2 7R4 (5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O 7R6 2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2 7R7 (5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one +CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O 7R9 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N 7RA 7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate +C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O 7RC (2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid +C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C 7RD (r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one +CC1=NC(=O)CC=C1 7RE 6-methyl-3h-pyridin-2-one +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5 7RG 6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CNC(=O)c1c2cc(ccc2[nH]n1)Br 7RI 5-bromanyl-n-methyl-1h-indazole-3-carboxamide +CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7RM 5'-o-(acetylsulfamoyl)adenosine +Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC 7RN n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C 7RO tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7RP 7-alpha-d-ribofuranosyl-purine-5'-phosphate +Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3 7RS n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide +CNC(=O)c1cccc2c1cc[nH]2 7RT n-methyl-1h-indole-4-carboxamide +CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea +c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5 7RV n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide +C1C[C@@H](NC1)CC(=O)O 7RX (r)-homoproline +c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4 7RY n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide +C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N 7S1 n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine +CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3 7S4 n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide +Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN 7S7 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C 7S9 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO 7SA acarbose derived heptasaccharide +c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl 7SB n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine +Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N 7SD n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide +c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O 7SE (3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O 7SG (2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O 7SI (1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol +CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC 7SJ 2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde +CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O 7SK (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid +CNC(=O)c1cc([nH]n1)c2ccco2 7SL 5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide +COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SM 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N 7SP (2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide +COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SS 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O 7SV 6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 7SW 3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid +Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C 7SX [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O 7SY 6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C 7T1 {2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4 7T7 n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide +CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C 7T8 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F 7T9 n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide +CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3 7TA n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N 7TD n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl 7TJ n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide +COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F 7TL (2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid +CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TM 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F 7TO 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O 7TP 5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6 7TQ 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TR 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O 7TS (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7TV 6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 7TX 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7TY 6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7U1 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid +Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2 7U2 (3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine +c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3 7U3 7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O 7U4 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N 7U6 2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7U7 6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl 7U8 methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N 7U9 2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7UA 6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6 7UB (3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one +C[C@H](CC(=O)O)NCC(=O)O 7UC (3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4 7UD 6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4 7UG 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F 7UI 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3 7UJ 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid +C1[C@H](CNC1=O)O 7UK (r)-4-hydroxy-2-pyrrolidone +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F 7UL 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F 7UN (8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one +[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N 7UP 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide +C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 7UR 4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid +Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 7US (3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate +CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 7UU ~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O 7UV (3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid +CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3 7UX 1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3 7UY 6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +C1CCC(CC1)CC(C(=O)O)C(=O)O 7UZ 2-(cyclohexylmethyl)propanedioic acid +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3 7V1 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N 7V3 (s)-(4-chlorophenyl)-phenyl-methanamine +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3 7V4 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4 7V5 ~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine +Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O 7V6 5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid +CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 7V7 n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O 7V9 ~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate +Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC 7VA (5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC 7VC 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol +CC(=O)CP(=O)(O)O 7VD (2-oxopropyl)phosphonic acid +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O 7VF 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol +B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O 7VG {3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +CNC1=C(C(=O)NC(=N1)N)N=O 7VJ 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl 7VL 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol +CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4 7VM n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide +CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O 7VO (2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid +Cc1c[nH]c(n1)c2ccccc2 7VP 4-methyl-2-phenyl-1h-imidazole +CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3 7VR 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime +c1ccc2c(c1)/C(=N/N)/C=CN2 7VS (4e)-4-hydrazinylidene-1,4-dihydroquinoline +Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3 7VT 5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide +CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC 7VV (6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C 7VX (4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid +COc1cccc(c1)C[C@H]2CCCNC2 7VY (3r)-3-[(3-methoxyphenyl)methyl]piperidine +COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N 7VZ methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W0 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid +Cc1cnc2ccccc2c1N 7W1 3-methylquinolin-4-amine +Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N 7W3 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid +Cc1c(n2ccccc2n1)N 7W4 2-methylimidazo[1,2-a]pyridin-3-amine +Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N 7W6 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3 7W7 (3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide +Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W9 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid +c1cc(c2c(c1)[nH]cn2)N 7WA 1h-benzimidazol-4-amine +c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2 7WB (2z)-2-indol-3-ylidene-3h-1,3-thiazole +c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N 7WD (6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O 7WF 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid +c1c([nH]c(n1)N)C2CC2 7WG 5-cyclopropyl-1h-imidazol-2-amine +COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O 7WH 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +COCCNC(=O)Nc1cccc(c1)Cl 7WI 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea +c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N 7WJ (2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid +CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F 7WL 3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide +c1ccc2c(c1)ccc(c2C=O)O 7WO 2-hydroxynaphthalene-1-carbaldehyde +c1c(nc2c(nc(nc2n1)N)N)C=O 7WP 2,4-diaminopteridine-6-carbaldehyde +COc1ccc(c(c1)C=O)O 7WQ 2-hydroxy-5-methoxybenzaldehyde +COc1cc(cc(c1O)O)C(=O)O 7WR 3-methoxy-4,5-bis(oxidanyl)benzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C 7WU methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate +c1ccc(c(c1)C(=O)O)Br 7WV 2-bromobenzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C 7WX methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate +Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl 7WY 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C 7X0 (1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid +COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl 7X1 n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X2 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine +COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 7X3 n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X4 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X5 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine +CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X6 n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide +c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl 7X7 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N 7X8 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide +C(CCCN)CCC(=O)NO 7XA 7-amino-n-hydroxyheptanamide +Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F 7XB 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N 7XC (2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4 7XD 1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O 7XF (2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid +Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F 7XG 2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide +CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5 7XH ~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide +c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N 7XJ 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O 7XL [[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid +c1cc2c(ccnc2N)cc1N 7XM isoquinoline-1,6-diamine +CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4 7XN 5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide +CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5 7XO n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N 7XP (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6 7XR 9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C 7XS 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6 7XU 9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC 7XV 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine +COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3 7XW n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide +Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl 7XX 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide +c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4 7XY {(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid +Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl 7Y0 4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide +CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C 7Y1 3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine +c1cnn(c1)S(=O)(=O)c2ccc(s2)Br 7Y3 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole +CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C 7Y4 (3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl 7Y6 4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O 7Y7 5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide +[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N 7Y9 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide +C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YA (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2 7YC (e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile +[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1 7YF (2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide +CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N 7YG 3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br 7YH 2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YJ (2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide +C1=CC(=O)N[C@H]1C(=O)O 7YL (2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid +Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O 7YM n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O 7YN 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea +C1CC(=O)N[C@H]1C(=O)O 7YO (2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid +CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN 7YP (2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2 7YR (2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide +Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C 7YS (10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O 7YU (+)-yatakemycin +Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C 7YV (1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid +Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C 7YY 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione +COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F 7Z0 n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide +CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F 7Z1 (2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone +c1cc(cc(c1)N2CCCC2)CN 7Z3 1-(3-pyrrolidin-1-ylphenyl)methanamine +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O 7Z4 5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide +CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2 7Z5 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid +c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl 7Z6 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O 7Z7 (2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N 7Z9 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N 7ZA 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C 7ZB 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CN(C)Cc1c[nH]c2c1cc(cc2)OC 7ZC 1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O 7ZD (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide +c1cc2c(cccn2)c(c1)[N+](=O)[O-] 7ZE 5-nitroquinoline +c1ccc(cc1)Nc2ncnc(n2)N 7ZF n-phenyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZG n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7ZH methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZJ n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZK 2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +c1ccc(cc1)Nc2c(cnc(n2)N)Cl 7ZL 5-chloro-n4-phenylpyrimidine-2,4-diamine +c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O 7ZM n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide +c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O 7ZN 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid +c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F 7ZP 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea +C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl 7ZQ 3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide +COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-] 7ZR 3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide +c1cc(c(c(c1)C(=O)O)O)C=O 7ZS 3-methanoyl-2-oxidanyl-benzoic acid +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZT 2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C 7ZU (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl 7ZV 5-hydroxydiclofenac +CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F 7ZW 2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O 7ZY 1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] 801 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F 802 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C 803 lovastatin +c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6 804 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole +[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N 806 7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F 808 n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide +Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO 809 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione +c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3 80A (r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol +COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5 80C 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N 80F (2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid +c1cc(sc1)c2ccc(cc2)CN 80G 1-(4-thiophen-2-ylphenyl)methanamine +CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C 80H ~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide +CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2 80K tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2 80L 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid +c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 80M sulfonato-thiacalix[4]arene +[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3 80O n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide +CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O 80P (4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ncc1C(F)(F)F)OC2CCNCC2 80Q 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine +c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2 80R 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one +Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 80U 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C 80V 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid +CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl 80X n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC 80Z 1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide +CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC 810 ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl 811 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3 812 n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC 814 [(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1 815 thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide +Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 816 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F 817 1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene +CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C 818 18-hydroxyascomycin +CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C 819 ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate +[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C 81A 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester +C1CCC(C1)NC(=O)C(=O)O 81B (cyclopentylamino)(oxo)acetic acid +CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC 81C n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide +C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O 81E (1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br 81F 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O 81G (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F 81H (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol +c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F 81I (4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one +CCOc1ccc(cc1)C(=O)O 81J 4-ethoxybenzoic acid +CCCCCC/C=C\CCCCCCCC=O 81K (z)-hexadec-9-enal +CCSc1ccc(cc1)C(=O)O 81M 4-(ethylsulfanyl)benzoic acid +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C 81O 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid +CNc1ccc(cc1)C(=O)O 81P 4-(methylamino)benzoic acid +C([C@H](CS)S)[C@@H](C(=O)O)N 81R (4r)-4,5-disulfanyl-l-norvaline +C([C@@H](CS)S)[C@@H](C(=O)O)N 81S (4s)-4,5-disulfanyl-l-norvaline +c1ccc2c(c1)nc3cc(c(cc3n2)O)N 81U 3-azanylphenazin-2-ol +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O 81V n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide +c1ccc2c(c1)C(=NNC2=O)CN 81X 4-(aminomethyl)phthalazin-1(2h)-one +CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 81Y 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 820 (2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 821 [4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 822 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide +C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS 823 n,n-bis(3-sulfanylpropyl)-l-asparagine +c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O 824 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3 825 [{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O 826 1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O 827 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O 829 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine +c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F 82A (s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br 82B 3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F 82D (3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N 82E 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 82F n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F 82G (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +CNC1=C(C(=O)N(N=C1)C)Cl 82I 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one +CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C 82J 3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide +CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 82K (2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO 82M n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide +C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8 82N nickel iron clsuter with cyanide bound +Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C 82O (3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 82R (1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol +C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br 82S (1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 82V 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one +C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C 82W [(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O 82X 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid +c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO 82Y n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K] 830 dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate +CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 831 n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)N 833 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C 834 n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide +CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N 835 (3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-] 836 n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide +CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4 837 ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC 838 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O 839 3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N 83A n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid +C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 83B [(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate +c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O 83D 5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83E n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4 83G 1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione +CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C 83H 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one +CCOC(=O)CC(=O)CCl 83I ethyl 4-chloranyl-3-oxidanylidene-butanoate +Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC 83J 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83K n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1 83L 10,20-diphenyl-5,15-diaza-porphyrin containing fe +CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O 83M n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine +c1[nH]c(nn1)C[C@@H](C(=O)O)N 83O (2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid +CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6 83P (r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN 83Q 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine +c1ccc2c(c1)c3ccccc3s2 83R dibenzothiophene +CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2 83S 5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C 83T propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1ccc2c(c1)-c3ccccc3S2=O 83U dibenzothiophene 5-oxide +c1ccc(cc1)CC[C@@H](CCC(=O)O)N 83V (4s)-4-amino-6-phenylhexanoic acid +CC(=O)c1c(cc(cc1O)O)O 83X 1-[2,4,6-tris(oxidanyl)phenyl]ethanone +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O 83Y 3-o-sulfo-alpha-l-rhamnopyranose +C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O 840 platensimycin a1 +c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3 841 ~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O 842 n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 843 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide +COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine +C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N 845 n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O 846 [4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-] 847 2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate +c1ccc(c(c1)N)OCc2cccnc2 848 2-(pyridin-3-ylmethoxy)aniline +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F 849 2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine +c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 84A p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N 84D dibekacin +C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 84F (3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N 84G arbekacin +COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3 84H (5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N 84I methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate +C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O 84J [(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid +c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5 84M n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide +COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3 84N (5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N 84O methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6 84P n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N 84R 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F 84S n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 84T [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid +c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F 84U 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+] 84W [7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium +c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5 84X 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol +COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N 84Z methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC 851 n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 852 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 853 5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid +CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2 854 ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4 855 2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine +COC(=O)c1ccc(cc1)C(=O)OCCO 856 o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl 857 4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide +CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C 858 c32-o-(1-ethyl-indol-5-yl)ascomycin +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O 859 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N 85A 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile +Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F 85B 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid +Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O 85C 1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea +CC1([C@@H]2CC=C([C@H]1C2)CBr)C 85D (1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F 85E {7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium +C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N 85F (2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid +CCNC(=O)CC[C@@H](C(=O)O)N 85G n-ethyl-l-glutamine +CCCNC(=O)CC[C@@H](C(=O)O)N 85J n-propyl-l-glutamine +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N 85K (7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium +C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O 85M (2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol +c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl 85P 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC 85R [(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate +CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6 85S 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N 85T 4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 85U methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO 85V 1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol +Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6 85X 12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 85Y 2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate) +Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F 85Z (e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid +c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl 860 2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide +COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 861 3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N 862 1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C 863 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 864 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7 865 7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid +CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl 866 5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 867 methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C 869 (1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O 86A (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid +CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O 86B 4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide +Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F 86C 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F 86D 3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile +c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5 86H 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +Cc1c(n2cc(ccc2n1)F)N 86J 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine +CC(C)Oc1ccc(cc1Cl)CN 86L (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine +COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O 86M 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde +c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N 86N (2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc-2c(c1)CCc3c2nnc(c3)N 86Q 5,6-dihydro-benzo[h]cinnolin-3-ylamine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86S [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86U 6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86V (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86X 6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86Y (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N 870 n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide +CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2 871 2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N 872 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one +c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O 873 3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one +CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2 874 (2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 876 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide +CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N 877 n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide +c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O 878 5-iodo-2-(oxalyl-amino)-benzoic acid +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl 879 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine +C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O 87C 3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one +CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C 87D n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide +C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C 87E (2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid +c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3 87F 3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F 87G n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide +C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3 87H (2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide +Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O 87J (s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +c1ccc(cc1)[C@@H](C(=O)O)n2cccc2 87L (2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid +CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4 87M n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87N [(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O 87O phosphono hexadecanoate +Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O 87P n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide +CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C 87R 6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N 87S 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide +Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN 87T n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2 87U (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione +Cc1c(cc([nH]1)c2ccccc2)C(=O)N 87V 2-methyl-5-phenyl-1h-pyrrole-3-carboxamide +C1CCC(CC1)CCCCC(=O)O 87X 5-cyclohexylpentanoic acid +C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3 87Y 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87Z [(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5 880 cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N 881 n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide +CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 882 (3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid +CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4 883 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea +Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O 885 1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline +CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C 886 n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 887 n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O 888 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one +CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C 889 n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide +CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5 88A 8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine +C(CC(=O)O)C(=O)NN 88B 4-diazanyl-4-oxidanylidene-butanoic acid +CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC 88C 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3 88D n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide +Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4 88E 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3 88G nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide +CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O 88I (3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one +Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O 88J (s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol +CCc1ccc(cc1)OP(=O)(O)O 88L (4-ethylphenyl) dihydrogen phosphate +CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C 88M 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88N {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2 88P ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate +C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O 88Q 1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol +COc1ccc(cc1OC)CC(C(=O)O)C(=O)O 88R 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N 88S n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide +Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC 88U n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88V (4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid +CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C 88W n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide +CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3 88X 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one +Cc1c(cc([nH]1)c2ccccc2N)C(=O)C 88Y 1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one +COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F 88Z n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3 890 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one +C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C 891 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br 892 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide +CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N 893 5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl 894 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl 895 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C 896 n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C 897 n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 898 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C 89A 2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide +CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 89C 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one +CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O 89D 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 89E 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole +CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC 89F 1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine +CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC 89G 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one +CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4 89I 5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine +CNC1=CC(=O)N(N=C1c2ccccc2)C 89J 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one +C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O 89L (e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN 89M nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide +C(/C=C/CO)O 89N (2e)-but-2-ene-1,4-diol +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 89O (5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C 89R fluorinated heme +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN 89S nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide +COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4 89U 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one +CC(C)([C@@H](C(=O)O)O)O 89V (2s)-2,3-dihydroxy-3-methylbutanoic acid +c1ccc(cc1)C(=O)N[C@@H]2CCCNC2 89W n-[(3r)-piperidin-3-yl]benzamide +CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2 89X (2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide +C1[C@@]([C@H](C(=O)O1)O)(CO)O 89Y (3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one +Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C 8A0 (4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +C[C@](CO)(C(=O)O)O 8A1 (2s)-2,3-dihydroxy-2-methylpropanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N 8A3 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O 8A4 (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol +COc1ccc(cc1OC)CN2CCOCC2 8A5 4-[(3,4-dimethoxyphenyl)methyl]morpholine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N 8A6 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5 8A7 (5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AA 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine +Cc1cccc(n1)N2CCN[C@H](C2)C 8AB (3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine +C(CCCC(=O)O)CCCN 8AC 8-aminooctanoic acid +CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N 8AD 9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide +c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AF [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8AG 8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) +Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8AH 5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine +CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl 8AJ 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine +Cc1cc(no1)C(=O)N(C2CC2)C(C)C 8AK n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C 8AM n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N 8AN 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N 8AO (4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)CNc2cccnc2N 8AP n~3~-benzylpyridine-2,3-diamine +O[As](=O)([O-])[O-] 8AR hydrogen arsenate +C1COCCN1CCC(=O)O 8AS 3-(morpholin-4-yl)propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N 8AU (4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C1CCC(CC1)[C@@H](CN)N 8AV (1s)-1-cyclohexylethane-1,2-diamine +CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3 8AW 1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F 8AX 6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N 8AY 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine +C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O 8AZ 8-aza-nebularine-5'-monophosphate +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N 8B0 (4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4 8B1 n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@H](c1ccc(cc1)N2CCOCC2)N 8B2 (1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N 8B3 (4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F 8B4 (1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol +c1coc2c1c(c3c(c2)OC(=O)C=C3)O 8B6 4-oxidanylfuro[3,2-g]chromen-7-one +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O 8B7 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O 8B9 2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose +c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N 8BA 8-bromo-deoxyadenosine-5'-monophosphate +C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O 8BB trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid +CC(=O)Nc1cccc(c1C(=O)O)F 8BC 2-acetamido-6-fluorobenzoic acid +COc1ccccc1\C=N/OCCC(=O)O 8BD 3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid +C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BF (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N 8BG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate +C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C 8BI (1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine +CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 8BJ (2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BL (5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one +CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C 8BM 4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium +Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C 8BN tegoprazan +C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C 8BP n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O 8BQ 7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8BR 8-bromo-adenosine-5'-monophosphate +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C 8BS n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +CS(=O)(=O)NC1CCCC1 8BT n-cyclopentylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N 8BU [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)Oc1ccccc1C(=O)N 8BV 2-[(propan-2-yl)oxy]benzamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F 8BX 6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N 8BY 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide +Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO 8BZ n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide +CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C0 (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3 8C1 4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide +Cc1c(c(n[nH]1)C)CNC2CCCCC2 8C2 n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine +CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3 8C3 n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide +CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5 8C5 8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N 8C6 [(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid +CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C9 (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one +c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3 8CA 9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O 8CB (1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol +CNC(=O)c1cc(c[nH]1)c2ccncc2 8CC n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N 8CD 1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C 8CE soraprazan +CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CF n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide +CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC 8CG 1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide +C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C 8CH methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate +Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C 8CK n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine +c1ccc(cc1)Cl 8CL chlorobenzene +c1cc2c(c(c1)O)OC(=O)C=C2 8CM 8-hydroxycoumarin +C[C@H]1CCCCN1C(=O)[C@@H](C)N 8CN (2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one +CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CO n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O 8CP 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine +CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CR n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide +C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O 8CS (2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C 8CT (6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC 8CU n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide +[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1 8CV n-(2-phenylethyl)imidodicarbonimidic diamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F 8CX 6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O 8CY ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form +Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2 8CZ n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide +CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C 8D0 (6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol +[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC 8D1 5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide +CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O 8D3 (6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol +c1ccc(cc1)c2c(nn[nH]2)C(=O)O 8D4 5-phenyl-1h-1,2,3-triazole-4-carboxylic acid +c1cnccc1c2c[nH]c(c2Cl)C(=O)N 8D6 3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O 8D7 (1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O 8D8 (3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide +C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O 8DA 8-oxodeoxyadenosine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N 8DD 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate +c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 8DE 2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O 8DG 8-oxo-2'-deoxyguanosine-5'-triphosphate +CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1 8DH n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5 8DJ 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N 8DM n-(4-aminobenzene-1-carbonyl)-l-glutamic acid +Cc1cc(cc(c1)n2cc(nn2)C)C 8DN 1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole +Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O 8DP 8-demethyl-8-aminoriboflavin-5'-phosphate +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4 8DQ 8-phenyl-2-piperazin-1-yl-chromen-4-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3 8DR (s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid +c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl 8DS 4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide +CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8DT 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl 8DU n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6 8DV (r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine +C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O 8DX (2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N 8DY 3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide +COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC 8DZ (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate) +c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N 8E1 4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide +CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6 8E2 preladenant conjugate psb-2113 +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F 8E3 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O 8E4 (3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F 8E6 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCCCCCCCCCNCCS 8E7 2-(decylamino)ethane-1-thiol +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 8E8 1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O 8E9 1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate +CCCCCCCCCCNCCSSCc1ccc(cc1)Cl 8EA n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F 8EC 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O 8EF 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +Cc1ccc(cn1)C(=O)N 8EJ 6-methylpyridine-3-carboxamide +c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O 8EK 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid +Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O 8EL 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7 8EM n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide +Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F 8EN ~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide +Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C 8EO 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O 8EP (2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8EQ 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7 8ES n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide +c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3 8ET ~{n}-quinolin-5-ylpyridine-3-carboxamide +CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-] 8EU ethyl-[(4-nitrophenyl)methoxy]phosphinic acid +CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N 8EV 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +CC(=CC(=O)O)CC(=O)O 8EW 3-methylpent-2-enedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O 8EX 2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N 8EY 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +C[C@H]1CCCC[C@H]1C(=O)O 8EZ (1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4 8F0 (3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N 8F1 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile +c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F2 (r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide +c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F3 4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide +C1CCNC(=O)[C@H](C1)N 8F4 (3~{s})-3-azanylazepan-2-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O 8F5 3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C 8F6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N 8F7 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8F9 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 8FB (3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4 8FC ~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N 8FD 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile +CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8FF (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one +CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8FG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene +C(C(Cl)(Cl)Cl)O 8FH 2,2,2-tris-chloroethanol +CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4 8FK (2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide +Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O 8FL 2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC 8FM (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6 8FN 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one +Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O 8FP n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4 8FQ ~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide +Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl 8FR 2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine +C#Cc1ccc(cc1F)F 8FS 1-ethynyl-2,4-difluorobenzene +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC 8FT 2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl 8FU [6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6 8FV 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole +[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4 8FW ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide +C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl 8FX [6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5 8FY n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(cnc1)Oc2ccc(o2)CN 8FZ (5-pyridin-3-yloxyfuran-2-yl)methanamine +c1cc(cc(c1)C(=O)O)C(=O)O 8G0 benzene-1,3-dicarboxylic acid +c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F 8G1 (3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile +COC(=O)c1ccc(cc1)C[NH3+] 8G2 (4-methoxycarbonylphenyl)methylazanium +Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3 8G3 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol +c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F 8G4 (1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3 8G5 (4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one +Cc1cc2nccc(n2n1)c3ccc(cc3)Cl 8G6 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine +CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C 8G7 (2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +Cn1cnc2c1nc(nc2)Cl 8G8 2-chloranyl-9-methyl-purine +C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O 8GA 5-se-methyl-5-seleno-alpha-d-ribofuranose +CC(=O)c1cc(cc(c1O)CCl)Cl 8GB 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone +C[n+]1cccc(c1)C(=O)N 8GC 3-carbamoyl-1-methylpyridin-1-ium +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O 8GD 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) +c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N 8GE 4-(1~{h}-indol-2-yl)benzenesulfonamide +Cc1nccc(n1)N 8GF 2-methylpyrimidin-4-amine +C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O 8GG 5-se-methyl-5-seleno-beta-d-ribofuranose +c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N 8GH 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O 8GI 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C 8GJ (2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1ccc2c(c1)cccc2C(=O)NO 8GK ~{n}-oxidanylnaphthalene-1-carboxamide +C(C[C@](C(=O)O)(N)O)C(=O)O 8GL (2s)-2-azanyl-2-oxidanyl-pentanedioic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O 8GM [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 8GN ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide +CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C 8GO (2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 8GP n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO 8GQ pyrazolo-pyrimidine macrocycle +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O 8GR (2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O 8GS 2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O 8GT 8-oxo-guanosine-5'-triphosphate +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O 8GU (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C 8GV 6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O 8GX (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one +C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C 8GY 2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one +CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4 8H0 n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N 8H1 2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +c1cc2c(cc1N)cn[nH]2 8H4 1~{h}-indazol-5-amine +CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C 8H5 verruculogen +CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O 8H6 s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate +c1cc(c(cc1O)F)C#N 8H8 2-fluoro-4-hydroxybenzonitrile +C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8HB (2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid +c1cc2ccc(nc2c(c1)O)C(=O)O 8HC 8-hydroxyquinoline-2-carboxylic acid +Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O 8HD n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide +c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N 8HE 4-(4-cyanophenyl)benzenesulfonamide +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O 8HF propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O 8HG 2'-deoxy-8-oxoguanosine +CCNc1cc(nc2n1ncc2)c3cccnc3 8HH ~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 8HI (3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid +c1cc2c(cc1O)NC(=O)CC2 8HJ 7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one +c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N 8HK 4-pyridin-3-ylbenzenesulfonamide +CCCCCCCc1cc(cc(c1C(=O)O)O)O 8HL 2-heptyl-4,6-bis(oxidanyl)benzoic acid +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O 8HM 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2 8HN 2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid +Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid +c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl 8HP 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(ccnc2c(c1)O)C(=O)O 8HQ 8-hydroxyquinoline-4-carboxylic acid +CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4 8HR propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate +CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C 8HS [(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate +[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4 8HT ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide +CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O 8HV 5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F 8HW 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid +c12c([nH]c(n1)O)NC(=O)NC2=O 8HX 8-hydroxy-3,9-dihydro-1h-purine-2,6-dione +c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3 8HY n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide +Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O 8HZ 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N 8I1 2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C 8I2 (3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone +CCCCCCCCCc1cc(cc(c1C(=O)O)O)O 8I6 2-nonyl-4,6-bis(oxidanyl)benzoic acid +CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8I9 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate +c1cc(c(cc1C(=O)O)O)C(=O)O 8IB 2-hydroxyterephthalic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N 8ID nicotinamide-8-iodo-adenine-dinucleotide +Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C 8IE (4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine +c12c([nH]c(n1)I)N=C(NC2=O)N 8IG 8-iodo-guanine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N 8IN [3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC 8IO [(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate +c1cc(cc(c1)c2cccnc2)CNc3cccnc3N 8IP n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine +COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4 8IR n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide +CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4 8IU (3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C 8IX n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J0 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N 8J1 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C 8J2 propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J3 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC 8J4 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C 8J6 4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine +Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N 8J7 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC 8J8 ~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide +CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O 8J9 (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 8JB (2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid +CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F 8JC n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide +CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8JD [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 8JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C 8JF n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O 8JG (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid +CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JH ~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O 8JI n-succinyl-l-phenylglycine +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O 8JJ 5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O 8JL 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4 8JM 4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO 8JN 1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F 8JO 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC 8JP 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide +CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JQ ~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O 8JR 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F 8JS 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide +c1cc2c(cc1C[NH2+]C3CCCC3)OCO2 8JT 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium +O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3 8JU fe4-s4-o cluster +Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O 8JV (2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid +C1=C(C(=O)NC=C1C(F)(F)F)N 8JW 3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one +COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O 8JX 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid +CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O 8JY [2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate +CCCCOC(=O)C 8JZ butyl acetate +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O 8K0 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O 8K1 5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine +c1cc(sc1S(=O)(=O)N)Cl 8K2 5-chloranylthiophene-2-sulfonamide +COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F 8K4 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone +c1cc(ccc1CSC(=[NH2+])N)Cl 8K5 [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium +CCCCCCCCCCCCCCCCCC 8K6 octadecane +COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F 8K7 1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO 8K8 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O 8K9 (1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O 8KA 2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +C1COC[C@@H](CN1)O 8KB (6~{r})-1,4-oxazepan-6-ol +CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 8KC (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KD 2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one +c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KG 2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O 8KH n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide +CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8KK ~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7 8KL 9-o-3'-quinolinium propylberberine +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N 8KM n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8KN (2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O 8KO (2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide +CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C 8KP n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide +Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO 8KR (2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide +c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O 8KS (1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid +c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O 8KU 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 8KV n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea +COc1cc(cc(c1)O)CCc2ccccc2O 8KW 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F 8KX 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl 8KY {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl 8L0 (2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl 8L1 n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8L2 (2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl 8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine +[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO 8L4 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide +[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8L5 ~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8L7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine +c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 8L8 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol +Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F 8L9 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8LA n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8LB (2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O 8LC n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide) +C(#COC#CO)O 8LD 2,2'-oxydi(ethyn-1-ol) +CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LE [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate +Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 8LF ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide +c1cc(c(nc1)O)O 8LG pyridine-2,3-diol +C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8LH [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate +CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1 8LI (4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one +C1C=CN[C@@H]1C(=O)O 8LJ (2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O 8LK pyrrolo-dc +CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C 8LL 5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide +CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O 8LM 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni c acid +Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl 8LN 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC 8LO (2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5 8LP 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate +C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O 8LR 2-hydroxyethyl alpha-d-mannopyranoside +Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F 8LS 6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione +c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F 8LU (2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide +c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N 8LV 3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C 8LW 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC 8LX (5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F 8LY n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine +c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2 8LZ (2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium +[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-] 8M0 bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi) +CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4 8M1 n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide +c1cscc1C(=[NH2+])N 8M2 [azanyl(thiophen-3-yl)methylidene]azanium +COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8M4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid +Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3 8M5 1-methyl-n-phenyl-indole-3-carboxamide +Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5 8M6 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide +CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 8M7 n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide +Cc1c(c(sc1C#N)c2nc[nH]n2)C 8M8 3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile +Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl 8M9 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4 8MA 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid +Cc1ccc(cc1)/C=C/C(=O)O 8MB (~{e})-3-(4-methylphenyl)prop-2-enoic acid +COc1ccc2c(c1)OC(=O)C=C2CC(=O)O 8MC (7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid +C=C[C@H]1CCC([C@H](C1)O)O 8MD (1s,2s,4s)-4-ethenylcyclohexane-1,2-diol +C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 8ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide +c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl 8MF 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 8MG 8-methyl-2'-deoxyguanosine-5'-monophosphate +CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O 8MH 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 8MI n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +c1cc2ccc(nc2c(c1)O)C=O 8MJ 8-oxidanylquinoline-2-carbaldehyde +CC(=O)/C=C/c1ccc(cc1)O 8MK (~{e})-4-(4-hydroxyphenyl)but-3-en-2-one +Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O 8ML 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN 8MM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside +c1cc(ccc1SCC(=O)NN)Cl 8MN 2-(4-chlorophenyl)sulfanylethanehydrazide +COc1c2c(cco2)cc3c1OC(=O)C=C3 8MO methoxsalen +CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 8MP n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide +CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 8MQ 2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one +COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F 8MR (3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid +CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O 8MS (r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol +c1c(c(sc1C(=O)NN)Br)Br 8MT 4,5-bis(bromanyl)thiophene-2-carbohydrazide +CC(=O)OCc1ccc(o1)C=O 8MV (5-formylfuran-2-yl)methyl acetate +Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C 8MW 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid +Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O 8MX 1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N 8MY 4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1cc2c(cc1c3csc(n3)N)NC(=O)N2 8MZ 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one +c1cc(c(nc1)Br)O 8N0 2-bromanylpyridin-3-ol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl 8N1 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine +COc1cccc(c1OC)/C=C/C(=O)O 8N2 (~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid +Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO 8N3 (2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide +c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8N4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid +c1ccc2c(c1)CSC3=C2NNC3=O 8N5 2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 8N6 (5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5 8N7 6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide +c1c(c(c(s1)C(=O)O)Br)Br 8N8 3,4-bis(bromanyl)thiophene-2-carboxylic acid +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C 8N9 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 8NA alpha-diphosphopyridine nucleotide +CC(=O)Nc1ccc(c(c1)Cl)OC 8NB ~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide +COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C 8NC (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC 8ND (2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate +c1cc(ccc1C(=[NH2+])N)C(F)(F)F 8NE [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium +Cc1cc(ncc1N)C 8NF 5-amino-2,4-dimethylpyridine +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F 8NG n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide +Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O 8NH 2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile +CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4 8NJ 6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 8NK 7-methylguanosine 5'-diphosphate +Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl 8NL (2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate +CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C 8NM n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 8NN (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan +c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N 8NO 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide +CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3 8NP 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one +c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N 8NQ 1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4 8NR ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate +CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NS 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O 8NT 3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid +CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one +CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NV 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCO 8NW 5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide +c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O 8NX 8-nitro-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1I)cn[nH]2 8NY 5-iodanyl-1h-indazole +c1cc2c(cc1Br)c(c[nH]2)C(=O)O 8NZ 5-bromanyl-1~{h}-indole-3-carboxylic acid +C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C 8O0 hapalindole a +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4 8O1 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N 8O3 (r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one +CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C 8O4 7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O 8O5 (2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide +c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN 8O7 n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de +CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4 8O8 ~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide +CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OA (r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl 8OB 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 8OD [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl 8OE 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline +COc1ccc(cc1)Nc2ccnc3c2cccc3 8OF n-(4-methoxyphenyl)quinolin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O 8OG 8-oxo-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N 8OH 2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine +CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OJ (s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N 8OK 2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine +CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8OL (s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OM (s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N 8ON 1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8OP [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O 8OQ alpha-d-aceric acid +CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O 8OR 2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one +Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O 8OS 5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N 8OT 2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine +Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O 8OU 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F 8OV n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N 8OW ~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 8OX 6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one +c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8OY 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid +C=C(c1ccccc1)C(=O)O 8OZ 2-phenylacrylic acid +c1cc2ccc3cccc4c3c2c(c1)cc4 8P0 pyrene +c1cc2c(cc1N)CCCC2=O 8P1 6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N 8P2 [(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium +c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O 8P3 2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid +c1cc(ccc1NC(=S)N)F 8P4 1-(4-fluorophenyl)thiourea +C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O 8P5 azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium +C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C 8P6 hapalindole u +Cc1[nH]c2ccccc2n1 8P7 2-methyl-1~{h}-benzimidazole +[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81 8P8 c fe7 s8 v +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl 8P9 5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O 8PA 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium +c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl 8PC 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 8PE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate +C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 8PF pentadecafluorooctanoic acid +CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O 8PG (8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid +CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-] 8PH hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate +c1cc(c(nc1)O)[N+](=O)[O-] 8PJ 3-nitropyridin-2-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O 8PK 4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O 8PL (2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C 8PM n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O 8PO (2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C 8PP 2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol +Cc1c(c(n[nH]1)C)Br 8PQ 4-bromanyl-3,5-dimethyl-1~{h}-pyrazole +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F 8PR paroxetine +CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2 8PS 5-octyl-2-phenoxyphenol +Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5 8PT ~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine +Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br 8PU 5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide +c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4 8PV n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F 8PW (2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br 8PX 5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 8PY [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8PZ [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 8Q1 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate +C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8Q2 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate +Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C 8Q3 5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl 8Q4 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate +CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4 8Q5 ~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide +CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C 8Q6 dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O 8Q7 9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N 8Q8 (2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide +Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br 8Q9 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide +c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4 8QB 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one +Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br 8QC 5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 8QD (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol +CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N 8QE 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide +C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C 8QF [(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate +c1cc(sc1c2c[nH]nc2)Cl 8QG 4-(5-chlorothiophen-2-yl)-1h-pyrazole +Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O 8QH (4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N 8QI ({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O 8QJ (2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid +COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O 8QK 1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol +C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O 8QL (3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol +c1cc(ccc1C2CC2)C(=O)O 8QM 4-cyclopropylbenzoic acid +C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O 8QN [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +C[C@@H]1CN=C(N1)c2ccc(cc2O)OC 8QO 5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol +CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O 8QP [(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN 8QQ 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one +CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O 8QS [(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3 8QT (2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol +CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6 8QV (5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C 8QW (2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide +CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br 8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one +C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C 8QY n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea +CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC 8QZ ~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 8R0 (3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione +c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N 8R2 (2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O 8R3 3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid +c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O 8R4 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8R5 3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O 8R6 (2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid +COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O 8R7 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O 8R8 3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid +CC(=O)N1CCN(CC1)c2ccccn2 8RA 1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one +Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8RB 3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide +Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F 8RD {4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone +C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O 8RE 3,4-dihydroxylysine +Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC 8RH bay 1217389 +CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3 8RI (2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide +CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O 8RJ (r)-1'-(2',3'-dihydroxypropyl)-thymine +Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8RK 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CNC(=O)c1cc2ccccc2nc1 8RM n-methylquinoline-3-carboxamide +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4 8RN 7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one +CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O 8RO [(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N1CCc2cc(c(cc2C1)OC)OC 8RP 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one +C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O 8RQ ~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C 8RR 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid +CC(=O)N1CCN(CC1)c2ccccc2 8RS 1-(4-phenylpiperazin-1-yl)ethan-1-one +Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RT (2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CCc1ccc(c(c1)O)O 8RU 4-ethylbenzene-1,2-diol +CC(=O)NC1CCN(CC1)Cc2ccccc2 8RV n-(1-benzylpiperidin-4-yl)acetamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RW (2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CNC(=O)c1ncccn1 8RY n-methylpyrimidine-2-carboxamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F 8RZ (1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide +C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O 8S0 l-glucono-1,5-lactone +c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl 8S1 5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N 8S2 (2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl 8S3 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid +COc1ccc(cc1)Cn2cnnn2 8S4 1-[(4-methoxyphenyl)methyl]-1h-tetrazole +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F 8S5 (2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +C[C@H](CC(=O)O)NC(=O)C(=O)O 8S6 (3r)-3-(oxaloamino)butanoic acid +Cc1cc(on1)NC(=O)C2CC2 8S7 n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide +C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O 8S8 (3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid +c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl 8S9 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid +Cc1cc(no1)NCc2cccs2 8SA 5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SB (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +c1cc2c(cc1O)CC(=O)N2 8SD 5-hydroxy-1,3-dihydro-2h-indol-2-one +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SE (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +CC(C)Sc1nnnn1c2ccccc2 8SF 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole +Cc1cc(on1)NC(=O)c2ccco2 8SG n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide +CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC 8SH (2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol +[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-] 8SJ (4-nitrophenyl)methyl carbamimidothioate +c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O 8SK benzo[a]pyren-3-ol +CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC 8SL 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole +Cn1cc(c(n1)n2cccc2)c3ccccn3 8SM 2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 8SN (3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C 8SO n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC 8SP o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CCC(=O)NO 8SQ 3-naphthalen-1-yl-~{n}-oxidanyl-propanamide +Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F 8SR 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1cc(ccc1c2c[nH]nc2N)Br 8SS 4-(4-bromophenyl)-1h-pyrazol-3-amine +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 8ST n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O 8SU (~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid +CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C 8SV 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one +C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8SW ~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C 8SX preaustinoid a1 +CN1c2ccc(cc2CCC1=O)N 8SY 6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one +C(CCN)C[C@@H](C(=O)NO)N 8SZ (2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide +C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C 8T0 preaustinoid a2 +CN1c2ccc(cc2C=CC1=O)N 8T1 6-amino-1-methylquinolin-2(1h)-one +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8T2 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl 8T3 n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide +Cn1c(c(cn1)c2ccccc2)n3cccc3 8T4 1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 8T5 (1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid +Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N 8T7 1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine +c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br 8T8 (1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine +CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C 8T9 preaustinoid a3 +c1ccnc(c1)c2cn[nH]c2n3cccc3 8TA 2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O 8TB (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O 8TC berkeleyone a +CN1c2ccc(cc2N(C1=O)C)N 8TD 5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O 8TE p-methylphosphonatocalix[4]arene +CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br 8TG 7-bromo-1-methyl-6-nitroquinolin-2(1h)-one +CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C 8TH chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium +CNC(=O)c1cc2cccnc2s1 8TJ n-methylthieno[2,3-b]pyridine-2-carboxamide +CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N 8TK 4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile +CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C 8TL propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate +c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F 8TM n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine +CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N 8TN 4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC 8TO (4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CC(=O)NCCNc1ccccc1 8TP n-[2-(phenylamino)ethyl]acetamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O 8TQ (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde +OCl 8TR hypochlorous acid +CC(=O)N1CCN(CC1)c2ccc(cn2)C#N 8TS 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile +CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO 8TU (6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid +CC(=O)N1CCN(CC1)c2ccncc2 8TV 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one +C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O 8TW (1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid +C12=C(NC(=O)NC1=O)NC(=S)N2 8TX 8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione +CC(=O)N1CCN(CC1)S(=O)(=O)C 8TY 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one +CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F 8TZ (~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3 8U0 n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide +CC(=O)NCc1ccc(cc1)OC 8U1 n-[(4-methoxyphenyl)methyl]acetamide +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3 8U2 2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide +CS(=O)(=O)Nc1ccc(c(c1)F)F 8U3 n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide +CC(=O)NCc1cccc(c1)Cl 8U4 n-[(3-chlorophenyl)methyl]acetamide +CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O 8U5 e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3 8U6 n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide +CNC(=O)NC1CCN(CC1)Cc2ccccc2 8U7 n-(1-benzylpiperidin-4-yl)-n'-methylurea +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O 8U8 (2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl 8U9 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid +CC(=O)NCc1ccccn1 8UA n-[(pyridin-2-yl)methyl]acetamide +c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3 8UB 3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N 8UC (3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile +CNC(=O)c1cccnc1N 8UD 2-amino-n-methylpyridine-3-carboxamide +CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O 8UE 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N 8UF 2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid +CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1 8UG ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UH 6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide +CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2 8UJ n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UK 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N 8UL 1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid +CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C 8UM 5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide +C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N 8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N 8UO 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid +[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N 8UP 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide +CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UQ 8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UR 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid +c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O 8US n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UU 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N 8UV n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide +C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O 8UX (2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N 8UY 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N 8UZ tc007 +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN 8V0 (2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid +Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C 8V1 (2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6 8V2 methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate +Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN 8V3 (2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid +CCn1cc(cn1)NC(=O)c2ccoc2 8V4 n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide +c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N 8V5 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide +Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C 8V6 (2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3 8V7 2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide +Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N 8V8 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8V9 (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O 8VB 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C 8VC (4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1c(ncnc1NC2CCNCC2)C(F)(F)F 8VD n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine +CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O 8VE (3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid +CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 8VF (4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +Cc1cccc(c1)C 8VH 1,3-dimethylbenzene +CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC 8VI n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide +CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N 8VJ 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC 8VK ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate +C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 8VL 4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C 8VM 5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O 8VN (3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8VO (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O 8VR (2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid +CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4 8VS 4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC 8VT ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8VU (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O 8VV (2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC 8VW ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C 8VX (r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide +c1cc(cc(c1)CBr)CBr 8VY 1,3-bis(bromomethyl)benzene +CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN 8W0 propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate +CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F 8W1 (5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one +c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl 8W2 2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one +CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl 8W3 2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid +CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O 8W4 n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide +CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C 8W5 (1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one +CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl 8W6 4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid +c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O 8W7 (3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione +C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F 8W8 2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide +CN1c2ccc(cc2N(C1=O)C)CN 8W9 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one +CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl 8WA n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine +COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC 8WB 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one +Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N 8WC 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile +c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5 8WD n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O 8WE (2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide +CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O 8WF 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol +c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl 8WG n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide +c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5 8WH 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid +c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 8WJ (2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide +c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F 8WK 5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one +c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5 8WM (2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide +CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O 8WN ~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide +CN1CC(=CC=C1OC)C(=O)N 8WO 6-methoxy-1-methyl-2h-pyridine-3-carboxamide +c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N 8WP 2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide +C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O 8WQ (2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2 8WR (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione +CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C 8WS (2s)-2,6-diacetamido-n-methyl-hexanamide +CSc1[nH]c2c(ncnc2n1)N 8WT 8-methylsulfanyl-7~{h}-purin-6-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C 8WU (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one +CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl 8WV dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium +c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N 8WW 6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine +Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N 8WX 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile +CC(CC[C@@H](C(=O)O)N)(O)O 8WY 5,5-dihydroxy-l-norleucine +Cc1cc(c2c(c1)nc(o2)N)c3ccco3 8WZ 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C 8X0 (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N 8X1 5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O 8X2 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one +C(CS(=O)(=O)O)O 8X3 2-hydroxyethylsulfonic acid +c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O 8X5 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N 8X6 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O 8X8 ~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N 8XA 9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine +Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XB (6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XC 4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one +Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC 8XE 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1c(ncnc1N)C(F)(F)F 8XF 6-(trifluoromethyl)pyrimidin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 8XG 2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one +COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O 8XH 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6 8XJ 4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC 8XK 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one +[C-]#[N+]/C=C\c1c[nH]c2c1cccc2 8XL 3-[(z)-2-isocyanoethenyl]-1h-indole +CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC 8XM 2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide +Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XN (6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O 8XO 2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid +CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC 8XP 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1cc2c(ccc(c2nc1)O)C(=O)O 8XQ 8-hydroxyquinoline-5-carboxylic acid +Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4 8XR (3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O 8XS 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C 8XT ~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XU 1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O 8XV 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide +CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O 8XW [(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid +Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8XX (3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br 8XY 6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide +CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O 8XZ [(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F 8Y0 (e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine +c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4 8Y1 6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4 8Y2 2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide +Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N 8Y4 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N 8Y5 ~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F 8Y6 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid +Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N 8Y7 [(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N 8Y8 ~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8Y9 [(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate +Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2 8YA 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl 8YB ~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N 8YC (2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl 8YD 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO 8YE [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O 8YF (2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid +CCCCNC(=O)N1CCC(CC1)C 8YH ~{n}-butyl-4-methyl-piperidine-1-carboxamide +c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O 8YI (2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid +c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl 8YJ 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O 8YL (2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid +CC(=O)c1ccccc1Sc2ccccc2C(=O)O 8YM 2-[(2-acetylphenyl)sulfanyl]benzoic acid +C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O 8YN pseudoisocytidine +COc1cccc2c1oc(c2)C(=O)O 8YO 7-methoxy-1-benzofuran-2-carboxylic acid +CCCCCCCCCC=O 8YP decanal +Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN 8YQ (2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C1COC[C@H]1[C@@H](C(=O)O)N 8YR (2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid +C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N 8YT 1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide +Cc1cccc(c1CN)C 8YU (2,6-dimethylphenyl)methanamine +C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O 8YV 2-keto-d-gluconic acid +c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] 8YW ~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide +Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O 8YZ (2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid +Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C 8Z0 (4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N 8Z1 (4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8Z2 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC 8Z4 (4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1- +c1cc(cc(c1)I)CBr 8Z5 alpha-bromo-3-iodotoluene +C=C1C(=O)CC(CC1=O)c2cccs2 8Z6 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione +c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F 8Z7 n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F 8Z8 5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine +CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl 8ZA n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea +CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8ZB (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol +CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F 8ZD n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide +c1cc2c(cc1CO)OCCO2 8ZE 2,3-dihydro-1,4-benzodioxin-6-ylmethanol +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl 8ZH ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZJ 4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 8ZK ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C 8ZL (5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide +c1ccc(cc1)c2cc(n3c(n2)nnn3)O 8ZM 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl 8ZN ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide +C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2 8ZO prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate +c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O 8ZP (1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl 8ZQ 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C 8ZR ~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine +C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZS 4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl 8ZT ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide +CCCc1ccc(cc1)C(=O)O 8ZU 4-propylbenzoic acid +COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 8ZV 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl 8ZW ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc(cc1)C(=O)N 8ZX 4-methoxybenzamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl 8ZZ ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl 900 n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C 901 2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br 902 {[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 903 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid +CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F 904 n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide +[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N 905 (r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N 906 1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one +Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N 907 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC 908 4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C 909 n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide +CC(=O)NCCOCCOCCOCCOCCC(=O)O 90A 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl 90B 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O 90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O 90D methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl 90E 2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6 90F ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide +c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl 90G n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide +c1cc(ccc1c2c[nH]nc2NC(=O)CS)F 90J n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl 90K 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C 90L (1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F 90M n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl 90N 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C 90O (1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC 90P n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine +CC1=CC(=O)c2c(cccc2O)C1=O 90R 5-hydroxy-2-methylnaphthalene-1,4-dione +CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br 90S [(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl 90T (3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid +CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3 90V n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl 90W ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl 90Z ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 910 5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(O)(P(=O)(O)O)P(=O)(O)O 911 (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) +Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl 912 (2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide +c1cc(cc(c1)n2cccn2)CN 913 (3-pyrazol-1-ylphenyl)methanamine +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N 914 [(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO 915 (2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O 916 n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3 917 n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F 918 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC 919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide +CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3 91A 6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CN1CCN(CC1)c2cccc(c2)CN 91B 1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl 91D n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl 91E 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 91F 2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl 91G n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl 91H 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid +CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2 91J 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl 91K 2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O 91L 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5 91M (5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 91N [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC 91O 5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O 91P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CN(C)CCc1c[nH]c2c1c(ccc2)O 91Q 3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O 91R [[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl 91S (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O 91T [[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl 91U n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4 91V n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O 91W (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4 91X 3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4 91Y 3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N 920 4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 921 n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O 922 (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O 923 (5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one +c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N 924 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone +CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C 925 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide +Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 926 6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one +CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 927 n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide +c1cc(ccc1n2c(c(cn2)C#N)N)Cl 928 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 929 n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C 92A n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 92B (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl 92C (3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C 92D n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C 92E ~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O 92F 7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile +c1cc(ccc1c2csc(n2)N)O 92G 4-(2-amino-1,3-thiazol-4-yl)phenol +CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 92H ~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C 92I (3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5 92J n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)C(=O)O)N 92K isatinic acid +CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O 92L 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione +CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O 92M 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one +B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O 92N 4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde +CCc1cccc2c1[nH]cc2C3CCNCC3 92O 7-ethyl-3-(piperidin-4-yl)-1h-indole +COC(=O)c1c[nH]c2c1cccn2 92P 1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl 92Q ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2 92R 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F 92S 1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one +c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl 92T 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C 92U [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone +COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F 92V 1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN 92W 2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one +Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 92X 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3 92Y (1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol +C1C=C(C(=O)N=C1)N 92Z 5-azanyl-3~{h}-pyridin-6-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5 930 6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5 931 6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O 932 n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 933 2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C 934 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone +[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C 935 (e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-] 936 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione +CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F 937 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide +c1c(c(ncn1)Cl)N 938 4-chloranylpyrimidin-5-amine +Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N 939 1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O 93A [3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CNC(=S)NC1 93B 1,3-diazinane-2-thione +c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O 93C n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide +c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 93D (1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(c(nc1)N)Cl 93E 3-chloranylpyridin-2-amine +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC 93F (10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O 93G 9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine +COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O 93H 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4 93I 7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F 93J (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide +c1cc(c(cc1C(=O)N)N)N 93K 3,4-bis(azanyl)benzamide +Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O 93L (1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93M (3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) +CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N 93N 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile +Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC 93O 2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93P (3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name) +Cc1cccnc1N 93Q 3-methylpyridin-2-amine +CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C 93R ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93S n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) +Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O 93T 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid +Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC 93U 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O 93V 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 93W (2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid +COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO 93X (3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93Y n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O 93Z [(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C 940 (2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 941 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid +CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N 942 n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O 945 [(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O 946 4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol +CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 947 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide +C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 948 (1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C 949 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide +CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 94A (4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 94B (1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl 94C 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O 94D {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O 94E (3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl 94F 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl 94G n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide +c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 94H ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N 94I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 94J n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3 94K ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide +Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 94L 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N 94M 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine +c1cc(c(c(c1)Br)O)Br 94N 2,6-bis(bromanyl)phenol +c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O 94O 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O 94Q ~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate +C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 94R (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol +CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 94S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide +CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O 94T [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate +CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3 94U n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide +c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl 94V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide +COc1ccc2c(c1)sc(n2)N 94W 6-methoxy-1,3-benzothiazol-2-amine +C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O 94X (2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid +c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl 94Y n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide +c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N 94Z 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F 950 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl 951 2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4 952 5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione +c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl 953 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N 954 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4 956 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O 957 n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide +Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C 958 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione +CC(=O)CNC(=O)OCc1ccccc1 959 benzyl (2-oxopropyl)carbamate +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 95B azotochelin +c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-] 95C 4-nitro-2-[(phenylacetyl)amino]benzamide +Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95D 2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide +CC[C@@H](CO)NCCN[C@@H](CC)CO 95E ethambutol +CCc1c(nc(nc1N2CCOCC2)N)C 95F 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine +Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide +C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O 95H ~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide +c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O 95I n-(benzylcarbamothioyl)-l-histidine +c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95J n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide +CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N 95K 1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine +c1cc2c(cc1F)c(c(cn2)C(=O)NN)N 95L 4-amino-6-fluoroquinoline-3-carbohydrazide +CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95M n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide +CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N 95N 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine +Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O 95O (1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br 95P 4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide +c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N 95Q 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine +COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3 95R (4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C 95U n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4 95W 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione +Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O 95X (2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br 95Y n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O 95Z 2-amino-2-deoxy-alpha-d-mannopyranose +Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2 960 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 961 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +C[C@@H](CN(CCO)C[C@H](C)O)O 962 (2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol +COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O 963 (1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O 964 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid +c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid +CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC 966 [(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate +c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 967 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide +c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O 968 2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid +CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O 969 11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br 96A n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc(cc1)[C@H]2CCCN2 96B (2r)-2-phenylpyrrolidine +CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C 96C 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole +c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F 96D n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide +CCCN(CCCCCO)CCO 96E 5-[2-hydroxyethyl(propyl)amino]pentan-1-ol +CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O 96F 1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione +COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 96G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide +C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O 96H triisopropanolamine +CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N 96I (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide +Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br 96J n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide +CCCN(CCC)CCCCCCO 96K 6-dipropylamino-1-hexanol +Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C 96L (1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C 96M 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C 96N 4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide +Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 96O (1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside +c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F 96P (2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) +c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F 96Q (~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide +c1cc2c(cc(nc2c(c1)O)N)n3ccnc3 96R 2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol +CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC 96S 1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one +CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C 96T 3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol +c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N 96U 2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol +Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C 96V n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 96X n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide +Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F 96Y 1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine +C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N 96Z (2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid +CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1 970 (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one +CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5 971 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl 972 2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O 973 (5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one +Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F 974 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid +c1cc(c(cc1CCO)O)O 975 4-(2-hydroxyethyl)benzene-1,2-diol +CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O 976 (2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid +c1ccc(cc1)c2c(c(nc(n2)N)O)Br 977 2-amino-5-bromo-6-phenylpyrimidin-4-ol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 979 5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine +CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O 97A 4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile +CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl 97B 9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine +CCCCC(=O)OCCOCCC[C@@H](CC)O 97C 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate +c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl 97E 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N 97H 2-(3-aminophenyl)-3~{h}-quinazolin-4-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4 97K 2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N 97L (2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O 97M (2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O 97N (2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC 97O 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O 97Q 2,8-bis(trifluoromethyl)quinolin-4-ol +c1ccc(c(c1)c2ccno2)O 97T 2-(1,2-oxazol-5-yl)phenol +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl 97U (2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid +CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide +c1cc2c(ccnc2cc1C(F)(F)F)O 97W 7-(trifluoromethyl)quinolin-4-ol +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N 97X (2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile +CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C 97Y n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4 97Z 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one +C[C@@H]1CC(=O)Nc2ccccc2N1 98 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O 980 (2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one +CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl 981 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O 982 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 983 (5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide +CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5 984 cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O 985 (2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid +C[C@@H]1CC(=O)Nc2ccccc2N1 986 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 987 n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4 988 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline +CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C 989 2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid +C[C@@H](c1ccccc1)N 98B (1s)-1-phenylethanamine +COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC 98C n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide +C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98D 1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 98E (s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide +C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98G 1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C 98H (5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione +C(CO)C(=O)CC(=O)O 98J 5-hydroxy-3-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)Cl 98K 2-chloranyl-1~{h}-benzimidazole +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O 98M 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C 98N (s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide +C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 98P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide +COc1cc2cc[nH]c2cc1C(F)(F)F 98Q 5-methoxy-6-(trifluoromethyl)-1~{h}-indole +CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC 98R [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate +COC(=O)c1ccc(c(c1)I)O 98T methyl 3-iodanyl-4-oxidanyl-benzoate +COC(=O)c1cc(cc(c1)O)C(=O)OC 98W dimethyl 5-oxidanylbenzene-1,3-dicarboxylate +c1ccc2c(c1)c(c[nH]2)C#N 98Z 1~{h}-indole-3-carbonitrile +Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F 990 (7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 991 2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl 992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid +CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 993 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4 994 4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine +CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1 995 4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O 996 n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC 997 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide +C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC 998 n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide +[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N 999 (3s)-3-hydroxy-d-aspartic acid +Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N 99A n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide +CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5 99B 5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide +Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO 99C (2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate +CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C 99E ~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O 99J 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] 99K 3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O 99L 1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O 99M 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one +C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C 99N [(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O 99O 1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N 99P d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N 99R 6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N 99S methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate +C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N 99T l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 99U 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O 99V 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO 99X 1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O 99Y 4-carboxy-d-phenylalanine +Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 99Z 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3 9A0 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O 9A3 (2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one +C/C=C\CO 9A4 (2z)-but-2-en-1-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N 9A5 (2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C 9A6 7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine +C/C=C/CO 9A7 (2e)-but-2-en-1-ol +CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9A8 2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one +COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O 9AA (5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br 9AB 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid +c1ccc2c(c1)c(c3ccccc3n2)C=O 9AC 9-acridinecarbonyl +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N 9AD 9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +C[C@@H](CCCC(C)C)NC(C)C 9AE (2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine +CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC 9AF dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate +CNCc1ccc(cc1)Oc2ccccc2 9AG n-methyl-1-(4-phenoxyphenyl)methanamine +CCCN(CCC)CCCC#N 9AH 4-(dipropylamino)butanenitrile +C=CCNC=S 9AI n-prop-2-en-1-ylthioformamide +C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8 9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one +CC(C)(CNCCO)N 9AK n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O 9AL (2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O 9AM 9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O 9AN 2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one +CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3 9AO n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide +c1ccc2c(c1)cc(c3c2cccc3)N 9AP 9-aminophenanthrene +CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9AQ 2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one +COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O 9AR 9-hydroxy aristolochic acid +C[C@H]([C@@H](C(=O)N)N)O 9AT (2s,3r)-2-amino-3-hydroxy-butanamide +CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C 9AU 4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4 9AW 2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one +C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C 9AX (2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +Cc1ccc(c(c1)N)N 9AY 4-methylbenzene-1,2-diamine +CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O 9AZ (2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O 9B0 [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate +CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C 9B1 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4 9B2 2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one +c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O 9B3 (2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid +C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O 9B4 (2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O 9B5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC 9B6 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O 9B7 3',3'-cdimp +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O 9B8 (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC 9BA n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide +C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N 9BB trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid +COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4 9BD 2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine +c1ccc(cc1)CNC=S 9BE n-benzylthioformamide +CC(=O)CCc1c[nH]c2c1cccc2 9BF 4-(1~{h}-indol-3-yl)butan-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N 9BG 2',5'-gpap +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O 9BH (2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O 9BJ 3',3'-cdump +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O 9BK (2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O 9BL methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate +Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC 9BM 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O 9BN (2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O 9BO (2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate +CC(C)C(=O)N[C@](C)(CCN)C(=O)O 9BP 4-amino-n-(2-methylpropanoyl)-d-isovaline +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O 9BR 3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde +c1ccnc(c1)c2ncccn2 9BS 2-(pyridin-2-yl)pyrimidine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O 9BT (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O 9BU (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate +c1ccc2c(c1)c(n3c(n2)nnn3)O 9BV tetrazolo[5,1-b]quinazolin-9-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O 9BW (2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O 9BX 3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde +c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3 9BY [2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid +CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C 9BZ (3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C0 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide +C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl 9C1 2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O 9C2 [(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate +CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C3 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O 9C4 (2s)-2-hydroxy-3-epiquinic acid +CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4 9C6 9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C8 2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one +Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl 9C9 2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide +c1ccc2c(c1)c3ccccc3[nH]2 9CA 9h-carbazole +CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl 9CB 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CC (3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O 9CD 2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N 9CE 2-(2-aminophenyl)-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CF (3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1cc2cccc3c2c(c1)COC3=O 9CG 1h,3h-naphtho[1,8-cd]pyran-1-one +CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C 9CH 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione +COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 9CJ 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 9CK 1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea +c1ccc(cc1)CCl 9CL (chloromethyl)benzene +CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N 9CM (2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2 9CO [cobr(appy)-biot]br +CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N 9CP (2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N 9CQ 2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C 9CR (9cis)-retinoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N 9CS (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC 9CT ~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide +C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CU (3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F 9CV 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O 9CW (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CX (3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3 9CY n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O 9CZ (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D0 n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5 9D1 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol +CCC(CO)(CO)CO 9D2 2-ethyl-2-(hydroxymethyl)propane-1,3-diol +CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D3 n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4 9D4 n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine +CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2 9D5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one +CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4 9D6 n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5 9D7 [4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc +CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl 9D8 4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide +c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O 9D9 [5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid +c1c[nH]c2c1ncnc2N 9DA 9-deazaadenine +Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3 9DB (2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide +C([C@@H](CS)S)O 9DC (2s)-2,3-disulfanylpropan-1-ol +c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N 9DE 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide +c1c[nH]c2c1N=C(NC2=O)N 9DG 9-deazaguanine +CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2 9DH 2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 9DI 9-deazainosine +CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O 9DJ 3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid +CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O 9DK 3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O 9DN dansyl-l-asparagine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl 9DP (3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C(c1[nH]nnn1)[C@@H](C(=O)O)N 9DQ (2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3 9DR 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O 9DS dansyl-l-sarcosine +C[C@](Cc1ccccc1F)(C(=O)O)N 9DT (2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid +C[C@@H](CS)C(=O)NCc1ccccc1 9DU (2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide +CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC 9DW (2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid +C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O 9DX (2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +c1cnccc1c2csnn2 9DY 4-(1,2,3-thiadiazol-4-yl)pyridine +Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C 9DZ (2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide +C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O 9E0 (5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N 9E1 2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide +Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl 9E2 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F 9E3 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC 9E4 4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide +Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C 9E5 3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide +c1c(csc1Cl)C(=O)O 9E6 5-chloro thiophene-3-carboxylic acid +C(CCNCS)C[C@@H](C(=O)O)N 9E7 n~6~-(sulfanylmethyl)-l-lysine +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N 9E8 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +c1cc(sc1C(=O)O)Cl 9E9 5-chloro thiophene-2-carboxylic acid +Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8 9EA 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid +C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl 9EB 4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C 9EC (1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium +C(CCC(=O)N)CC(=O)N 9EE adipamide +CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 9EF n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl 9EG n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea +c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N 9EI 5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5 9EJ n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5 9EK ~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide +COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N 9EL (2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile +CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F 9EM 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3 9EN ~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide +c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3 9EO (3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide +CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O 9EP (2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(=O)c1c(cccc1O)O 9EQ 1-[2,6-bis(oxidanyl)phenyl]ethanone +CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C 9ER n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine +CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC 9ES n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide +Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O 9ET murrayamine-i +Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C 9EU 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O 9EV 6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine +c1ccc2c(c1)c(no2)O 9EW 1,2-benzoxazol-3-ol +C[C@@H](CO)CS 9EX (2s)-2-methyl-3-sulfanyl-propan-1-ol +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9EY methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cn1c(cc(n1)c2ccccc2)N 9EZ 2-methyl-5-phenyl-pyrazol-3-amine +c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2 9F0 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline +Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F 9F1 methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O 9F2 ceftriaxone +C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O 9F3 (2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F 9F4 (1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O 9F5 (2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid +c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O 9F6 (2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one +CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9F7 methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cc1cn(c2c1cccc2)CCC(=O)O 9F8 3-(3-methylindol-1-yl)propanoic acid +CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC 9F9 n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide +C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC 9FA methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +C1C[C@@H]([C@@H](C1)N)C(=O)O 9FB (1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid +Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N 9FC 6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide +C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9FD methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1C(=O)O)c(n[nH]2)Br 9FE 3-bromanyl-1~{h}-indazole-5-carboxylic acid +Cn1c(ccc1c2ccc(cc2F)O)C#N 9FG 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile +Cc1c(cnn1c2ccccc2)C(=O)O 9FH 5-methyl-1-phenyl-pyrazole-4-carboxylic acid +COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O 9FJ 3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid +c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N 9FK 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide +c1ccc-2c(c1)Cc3c2cccc3 9FL 9h-fluorene +CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC 9FM n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O 9FN 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 9FO 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O 9FQ (3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FR (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5 9FS 5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +COc1ccc(cc1)[C@H]2CCC(=O)NC2=O 9FT (3r)-3-(4-methoxyphenyl)piperidine-2,6-dione +CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FU (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4 9FV 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3 9FX 3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide +Cc1cn(nn1)CCC[C@@H](C(=O)O)N 9FZ (2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid +c1ccc(c(c1)c2cccc(c2O)O)N 9G0 2'-amino[1,1'-biphenyl]-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N 9G1 [(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium +CCc1cn(nn1)CCC[C@@H](C(=O)O)N 9G2 (2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid +c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3 9G3 7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one +CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 9G4 1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide +CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl 9G5 (3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one +COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5 9G6 n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O 9G7 methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate +C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4 9G9 5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole) +Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C 9GA n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCC/C(=C/COP(=O)(O)O)/C 9GB [(~{e})-3-methylhex-2-enyl] dihydrogen phosphate +c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl 9GD 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid +CC(C)CCCCCCCCC/C=C/C(=O)O 9GE (~{e})-13-methyltetradec-2-enoic acid +CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O 9GF 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol +CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O 9GH 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid +COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC 9GJ n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O 9GK 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid +CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl 9GL 5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N 9GM 2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one +CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GN 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O 9GP n-(hydroxyacetyl)-beta-d-glucopyranosylamine +CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GQ 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6 9GS 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide +C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GT 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid +c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3 9GU (1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone +CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC 9GV 1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide +CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GW 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid +COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 9GX 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 9GY 3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F 9GZ 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +c1ccn(c1)c2c(cc(c(c2I)O)CO)I 9H2 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol +c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 9H3 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C 9H4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I 9H5 [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone +CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4 9H6 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7 9H7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F 9H8 1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide +c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F 9H9 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +COC(=O)CCC(=O)OC 9HB dimethyl fumarate +Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O 9HC [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate +C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O 9HD 1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N 9HE 1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C 9HF 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC 9HG n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4 9HH ~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N 9HI (3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid +CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 9HJ 6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] 9HK 4-[(4-nitrophenyl)methyl]benzenesulfonamide +c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4 9HL n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC 9HN ~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O 9HO (9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid +c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4 9HP 9-(4-hydroxyphenyl)-2,7-phenanthroline +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C 9HQ (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O 9HR 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4 9HS 7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC 9HT (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide +CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 9HU 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate +C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO 9HV {2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9HW (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +c1c[nH]c2c1N=CNC2=O 9HX 9-deazahypoxanthine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N 9HY n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC 9HZ methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O 9I2 4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O 9I5 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 9I7 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O 9I8 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O 9IB 3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N 9ID 6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide +C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl 9IG 3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine +c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IK ~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C 9IM 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2 9IN n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide +COc1ccc(cc1)Nc2c3cc[nH]c3ncn2 9IO ~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N 9IP n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine +COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IS ~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl 9IV ~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9IY [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N 9J0 3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide +CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O 9J1 n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide +Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 9J2 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CCOC(=O)CCC(=O)O 9J3 4-ethoxy-4-oxobutanoic acid +C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N 9J4 4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 9J5 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +CCOC(=O)CCCCC(=O)O 9J6 6-ethoxy-6-oxohexanoic acid +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C 9J7 1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9J8 (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide +B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O 9JA (~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine +C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O 9JB 3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O 9JD methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate +C(CCO)CCO 9JE pentane-1,5-diol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O 9JF n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide +CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3 9JG prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate +c1ccc(cc1)Cc2ccc(cc2)C(=O)N 9JH 4-benzylbenzamide +B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JJ [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)NC(=O)c2ccccc2S 9JK ~{n}-phenyl-2-sulfanyl-benzamide +B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JM [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 9JN ~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl 9JO n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N 9JP n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide +CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JQ 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol +CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N 9JR 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one +Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N 9JS 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide +c1ccc(cc1)NC(=O)c2ccccc2[SeH] 9JT ~{n}-phenyl-2-selanyl-benzamide +Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5 9JU n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide +C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JW 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol +c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl 9JX (4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one +CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C 9JY (2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol +C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 9JZ (3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide +C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9K0 (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one +Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO 9K1 (2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol +Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F 9K2 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N 9K3 1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol +CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 9K4 2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide +c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K5 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate +C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3 9K6 5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N 9K7 2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N 9K9 2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F 9KB 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N 9KD n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl 9KE 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2 9KF ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N 9KG n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide +Cc1c(cc(nc1CC(=O)O)O)O 9KH 6-carboxy methyl-4-hydroxy-2-pyridinol +C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9KJ {[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid +CCCC[C@@H](C(=O)O)NC 9KK n-methyl norleucine +C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O 9KL (2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid +Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F 9KO n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O 9KP (e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine +c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 9KQ 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline +C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KR (e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one +CC(=O)Nc1ccccc1O 9KS n-(2-hydroxyphenyl)acetamide +CN1c2ccccc2N(C(=O)C1=O)C 9KT 1,4-dimethylquinoxaline-2,3-dione +c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O 9KU 5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9KV (2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 9KW ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KX (2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO 9KY (2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCOC(=O)c1c(c2ccccc2nc1C)C 9KZ ethyl 2,4-dimethylquinoline-3-carboxylate +C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C 9L1 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid +c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9L2 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 9L3 [(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl 9L4 3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C 9L5 ~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9L7 (2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9L8 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9L9 (2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl 9LA 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9LB (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol +CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5 9LD ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate +c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9LE (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O 9LF (2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate +c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F 9LG n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O 9LH tunicamycin +Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN 9LI 2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine +c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9LJ (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide +Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl 9LK ~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4 9LL (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide +CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 9LM 2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4 9LN 1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide +c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9LO 4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl 9LP trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate +B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid +c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F 9LS (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C 9LT 1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide +Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4 9LU 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid +c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl 9LV 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3 9LW 1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one +COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O 9LX 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol +c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F 9LY (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F 9LZ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2 9M0 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 9M1 ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F 9M2 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N 9M3 n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide +CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl 9M4 n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide +c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9M6 2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4 9M7 n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide +Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C 9M8 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN 9M9 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C 9MA 2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine +c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F 9MB 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol +c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9MC 2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl 9MD (2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide +c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9ME (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone +Cn1cnc2c1nc(nc2O)N 9MG 9-methylguanine +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN 9MH 2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide +c1cc(oc1)c2nc(n(n2)C(=O)N)N 9MJ 5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide +Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9MK (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone +CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9ML 2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl 9MM 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr 9MN (2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F 9MP (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 9MQ {benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO 9MR (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside +Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl 9MS (2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C 9MT 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3 9MU (r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide +c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br 9MV 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 9MW methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3 9MX (r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9MY (2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide +c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O 9MZ 2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9N0 2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5 9N1 (2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N 9N2 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile +CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3 9N3 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol +Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C 9N4 (2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide +CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C 9N5 (2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6 9N7 4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid +c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F 9N8 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide +C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9N9 (e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one +COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9NA (2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide +CC(=O)c1ccc(cc1)NC(=O)CS 9NB ~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide +c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9ND (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 9NE dansyl-l-glutamate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O 9NF dansyl-l-phenylalanine +CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5 9NG n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide +Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F 9NH n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide +COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F 9NJ trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid +c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O 9NK (2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F 9NL (2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid +c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F 9NM (2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide +c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F 9NO 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6 9NP (2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F 9NQ leniolisib +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O 9NR dansyl-l-arginine +C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 9NS (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2 9NT ~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide +C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C 9NU (2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide +CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 9NV dansyl-l-norvaline +c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl 9NW 2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3 9NX 5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol +[C@@H](C(=O)O)(C(F)(F)F)O 9O0 (2r)-3,3,3-trifluoro-2-hydroxypropanoic acid +C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl 9O1 3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide +CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O2 ~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide +C(=O)(C(C(F)(F)F)(O)O)O 9O3 3,3,3-trifluoro-2,2-dihydroxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N 9O4 (3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate +CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O5 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F 9O6 (2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 9O7 [(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2 9O8 [5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9O9 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol +c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3 9OB ~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4 9OC 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(=O)CCCCC\C=C/C(=O)O 9OD (2z)-9-oxodec-2-enoic acid +COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N 9OE (5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C 9OF 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N 9OG 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile +CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O 9OH (trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid +Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C 9OJ 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O 9OK 2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C 9OL 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OM 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +C[C@@H](CCC(=O)O)C(=O)O 9ON (2~{s})-2-methylpentanedioic acid +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OQ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O 9OR 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid +COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OS 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OT (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4 9OU 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +C([C@@H](C(=O)N)N)[SeH] 9OW 3-selanyl-l-alaninamide +C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC 9OZ n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O 9P0 4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N 9P1 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine +CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7 9P2 1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine +Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C 9P3 1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F 9P4 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide +Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N 9P7 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9P8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O 9P9 1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN 9PA 5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PB (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F 9PC 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide +CCCCCCCCCCCCP(=O)(C)C 9PD dodecyldimethylphosphine oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN 9PE (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O 9PF 1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 9PG 4-nitrophenyl alpha-d-galactopyranoside +c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PH (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 9PI bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +CC[C@H]1[C@H](COC1=O)Cc2cncn2C 9PL (3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one +c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N 9PM 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile +c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PN (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc[n+](cc1)[O-] 9PO pyridine-n-oxide +C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] 9PP 2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO 9PQ 4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CNC(=O)[C@@H]1CCCN1 9PR n-methyl-l-prolinamide +c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PT (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O 9PW [4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9PX 1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O 9PY (2r)-2-methyl-3-dehydroquinic acid +Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O 9Q0 1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O 9Q5 5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9Q6 1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O 9Q8 tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium +C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 9Q9 1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O 9QA 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one +C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl 9QB chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5 9QD n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9QF [(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O 9QG methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside +[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O 9QJ (1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O 9QK 2-(3-fluorophenyl)quinoline-4-carboxylic acid +c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO 9QN (1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC 9QO 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N 9QQ 6-hydroxybenzimidazolyl-norcobamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC 9QR 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O 9QT 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid +c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4 9QU n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O 9QV uridine 2',5'-bis(dihydrogen phosphate) +CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl 9QW (4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O 9QY methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 9QZ [(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R0 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid +C(CC[C@@H](C(=O)O)N)CCC(=O)O 9R1 (2s)-2-aminooctanedioic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 9R2 [(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R3 2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid +CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N 9R4 d-gamma-glutamyl-2-methyl-l-alanine +c1cc2c(cc1Cl)OC[C@H](O2)CN 9R5 [(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine +C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N 9R7 l-gamma-glutamylglycine +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5 9R8 6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl 9R9 1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol +Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid +Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO 9RB (2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O 9RC 5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine +C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2 9RD (cyclohex-1-ene-1,2-diamine)platinum(2+) +Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F 9RF {2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc(cc1)C(C(F)(F)F)(O)O 9RH 2,2,2-trifluoromethyl acetophenone hydrate +CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2 9RI (2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal +c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3 9RK ~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide +C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O 9RL (2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol +CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F 9RM 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O 9RN 3,6-anhydro-d-galactose +C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 9RO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RP 1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol +C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O 9RQ [2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC 9RR 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine) +Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4 9RS n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN 9RT 4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide +Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C 9RU [1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium +CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RV n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide +C[C@@H](c1ccccc1)C(=O)O 9RW (2~{s})-2-phenylpropanoic acid +c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O 9RX 2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O 9RY n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC 9RZ 3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N 9S0 (4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O 9S1 n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5 9S3 1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone +CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9S4 (2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9S5 (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone +CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O 9S6 3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O 9S7 5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2 9S8 non-cubane [4fe-4s]-cluster +C(CBr)S(=O)(=O)O 9SB 2-bromanylethanesulfonic acid +c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O 9SD (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O 9SE (2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O 9SF 3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F 9SG (2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SI [(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9SJ 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F 9SK 5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N 9SL [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O 9SM (2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 9SN 6-fluoroanthraniloyl-amp +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O 9SP (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 9SQ dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O 9SR (1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) +c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N 9SS (3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile +CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3 9ST 4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one +c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2 9SU 2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one +CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4 9SV 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione +CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC 9SW methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid +c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SY [(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O 9SZ c42 h32 o8 p2 +c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F 9T0 5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid +C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O 9T1 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid +CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F 9T2 ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate +c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 9T6 4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O 9T7 (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C[NH+](C)CCCNC(=O)CC[NH3+] 9T8 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium +CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3 9T9 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +c1ccc2c(c1)C(=O)c3ccccc3C2=O 9TA 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone +c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F 9TB (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9TC (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O 9TD 1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide +COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4 9TE 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O 9TF purpurin +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O 9TG 3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid +C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C 9TH pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride +Cc1c(n2ccccc2n1)c3ccn[nH]3 9TI 2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine +B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O 9TJ 3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid +Cn1ccnc1C(=O)O 9TK 1-methylimidazole-2-carboxylic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC 9TL 2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O 9TM (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O 9TN debutanoyl thapsigargin +COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4 9TO n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4 9TP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside +c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O 9TQ 5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid +c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N 9TR n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine +CC/C=C/C(=O)O 9TS (2e)-pent-2-enoic acid +Cn1ccc2c1ccc(c2)N 9TT 1-methylindol-5-amine +c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N 9TU n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine +c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4 9TV 3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide +c1cc(c(cc1C(=O)N)Cl)F 9TW 3-chloranyl-4-fluoranyl-benzamide +C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N 9TX n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine +C1CC1(C(=O)O)C(=O)O 9TY cyclopropane-1,1-dicarboxylic acid +Cc1ccc(cc1C(=O)O)F 9TZ 5-fluoranyl-2-methyl-benzoic acid +C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N 9U0 n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine +CC(C)c1c(ncs1)C=O 9U2 5-propan-2-yl-1,3-thiazole-4-carbaldehyde +CN(C)CCN(C)C 9U3 n,n,n',n'-tetramethylethane-1,2-diamine +CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9U4 3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C 9U5 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid +c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N 9U6 3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1 9U7 1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4 9U8 ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate +C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1 9U9 n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UA 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C 9UB [(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-] 9UC n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine +CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UD 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C 9UE jasplakinolide +c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N 9UF n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine +Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C 9UG (2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide +[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N 9UK cobaltcarborane +CN\1CCC/C1=C\2/C=Nc3c2cccc3 9UL (3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole +CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C 9UM 3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O 9UN 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide +C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl 9UO 6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N 9UP methyl (7-carbamimidoylnaphthalen-1-yl)carbamate +CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N 9UQ (3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione +C1=SC(=O)NC1=O 9UT 1,3-thiazole-2,4-dione +c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N 9UV (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +C1=NC(=S)NC1=O 9UW 2-sulfanylideneimidazol-4-one +O=[MoH2]1S[MoH2](=O)S1 9UX dioxo(di-mu-sulfide)dimolybdenum +Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O 9UY 3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1CC(=O)NC(=O)C1 9UZ piperidine-2,6-dione +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-] 9V0 (2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 9V1 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid +CC[C@]1(CC(=O)NC1=O)C 9V2 (3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione +Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C 9V3 2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone +c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl 9V5 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl 9V6 (2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid +c1ccc(cc1)NC(=O)O 9V7 phenylcarbamic acid +c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2 9V8 [3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate +CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O 9V9 1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one +C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO 9VA 3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide +c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N 9VC (2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid +CC([C@@H](C=O)N)O 9VD (2s,3s)-2-amino-3-hydroxybutanal +CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F 9VE [(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate +C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N 9VF (2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid +C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O 9VG methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O 9VH [(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid +Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VK (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br 9VL (2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid +Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VN (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)CNc2ccccn2 9VO n-(phenylmethyl)pyridin-2-amine +CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9VP 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid +c1cnn(c1)Cc2ccc(cc2)CO 9VQ [4-(pyrazol-1-ylmethyl)phenyl]methanol +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F 9VR (2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7 9VS cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol +CCNc1nnc(s1)Cn2c(cc(n2)C)C 9VT 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine +Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O 9VU (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one +c1cc(cnc1)CNC(=O)NC2CCCCC2 9VW 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F 9VY 2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide +CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1 9VZ ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate +Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC 9W1 (4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone +CC(=O)NC1CCN(CC1)c2ncccn2 9W2 ~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide +Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N 9W3 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile +c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5 9W4 4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide +Cc1cc(n(n1)Cc2ccccc2)N 9W5 5-methyl-2-(phenylmethyl)pyrazol-3-amine +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2 9W6 ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate +CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O 9W7 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol +CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3 9W8 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one +Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O 9WA (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +CC1=CC(=O)C(=C(N1)C)c2ccccc2 9WB 2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one +CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O 9WD 1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one +c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3 9WE 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C 9WG 4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N 9WH 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine +Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N 9WI (4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile +C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C 9WJ 4-acetamido-4,6-dideoxy-beta-d-mannopyranose +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N 9WK 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide +CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9WM (2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 9WN (2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid +c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5 9WO n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide +Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F 9WP 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide +Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC 9WR [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl 9WS n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide +C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O 9WT cefepime +C(CN)C(=O)N[C@@H](CN)C(=O)O 9WV beta-alanyl-3-amino-l-alanine +CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC 9WX ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O 9WY 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol +c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO 9WZ 2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside +c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3 9X0 n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide +CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl 9X1 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium} +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5 9X2 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide +CNCc1cccc(c1)CN2CCOCC2 9X3 n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine +Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N 9X4 (5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +CC1=NCc2ccccc2-c3c1cccc3 9X5 5-methyl-7~{h}-benzo[d][2]benzazepine +C(C(=O)O)SCC(=O)O 9X6 thiodiglycolic acid +CCOC(=O)C(=O)C 9X7 ethyl 2-oxopropanoate +CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 9X8 thioacetyl-adp-ribose +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N 9X9 3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine +CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C 9XB pamamycin 607 +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N 9XC 3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F 9XE 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N 9XF 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide +Cc1cccc(c1)Nc2ccccc2 9XG 3-methyl-n-phenylaniline +c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N 9XH (2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione +c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N 9XJ 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4 9XK ~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br 9XM [(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate +NP(=S)(O)O 9XN phosphoramidothioic o,o-acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl 9XP 1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine +c1cc(cc(c1)NC(=[NH2+])N)C(=O)O 9XQ [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium +c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 9XR [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 9XS (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2 9XT 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N 9XV 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O 9XW ~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC 9XX (2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 9XY endoxifen +Cn1nc(nn1)c2cc(cnc2N)c3ccsc3 9XZ 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 9Y0 (2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate +c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F 9Y1 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide +c1ccc(cc1)/C=C\C=O 9Y3 (2z)-3-phenylprop-2-enal +Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2 9Y5 1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +c1ccc(cc1)/C=C/C=O 9Y6 (2e)-3-phenylprop-2-enal +c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N 9Y7 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O 9Y8 3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F 9Y9 tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N 9YA 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3 9YB (3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F 9YD 2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O 9YF (2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate +CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N 9YG 1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O 9YH 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl 9YJ 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O 9YK 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CCOC(=O)[C@@H](C)O 9YL ethyl (2r)-2-oxidanylpropanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O 9YM [4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 9YN (2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide +Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C 9YO 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole +c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N 9YP {[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid +CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C 9YQ 4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide +CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4 9YS 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide +CC(=O)NCC[C@@H](C(=O)O)N 9YT (2~{s})-4-acetamido-2-azanyl-butanoic acid +COCCOCCOCCOCCOCCOCCOCCO 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol +CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O 9YW (alpha-d-glucopyranosyloxy)acetic acid +c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4 9YY 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC 9YZ methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +c1c(c([nH]c1C(=O)NCCCO)Br)Br 9Z0 4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O 9Z1 (3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +CCC(=O)Nc1ccc(cc1)c2ncccn2 9Z2 ~{n}-(4-pyrimidin-2-ylphenyl)propanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O 9Z3 n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine +CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N 9Z4 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O 9Z6 (5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC 9Z7 (3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +c1ccc(cc1)NC(=O)CCCCCNC(=O)CS 9Z8 6-(2-mercaptoacetylamino)-n-phenylhexanamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1 9Z9 (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en +C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZA [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CCC(=O)N1CCN(c2c1cccc2)CC 9ZB 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one +CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC 9ZC n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide +C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZD [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CC(=O)c1ccc2c(c1)OCCO2 9ZE 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone +c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F 9ZF 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea +CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 9ZG (phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate +C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl 9ZJ (2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C 9ZK (4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone +COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F 9ZM methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate +CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6 9ZP 4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide +Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2 9ZQ ru(phen)2(dppz-11,12-me2) +c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl 9ZS n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 9ZT (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O 9ZV 3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4 9ZW 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one +CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4 9ZX 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one +CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4 9ZY 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid +c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O 9ZZ erythrosin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A adenosine-5'-monophosphate +CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N A00 n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O A01 [(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A02 (10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A03 (10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F A04 5-[2-(trifluoromethoxy)phenyl]-2-furoic acid +c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O A05 5-(2-chloro-4-nitrophenyl)-2-furoic acid +c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl A06 (3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3 A07 n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl A08 (2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile +c1ccc(cc1)S(=O)(=O)NO A09 n-hydroxybenzenesulfonamide +C([C@@H](C(=O)O)N)C(=O)OC=O A0A (2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid +c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br A0B phloxine b +Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C A0C 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide +CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4 A0D n-adamantan-2-yl-1-ethyl-d-prolinamide +C(=C(/C(=O)O)\N)\O A0G (2z)-2-amino-3-hydroxyprop-2-enoic acid +CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl A0H n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide +C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4 A0J 3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O A0K 1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C A0L 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one +CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C A0O 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N A0P 9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine +CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4 A0Q 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide +COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O A0R 2',4'-dihydroxy-2-methoxychalcone +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F A0S (5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F A0T [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C A0U ~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate +B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O A0V 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid +C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O A0W 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O A0Y phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I A0Z 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl A11 ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N A12 phosphomethylphosphonic acid adenosyl ester +Cc1cc(nc(n1)N)C(F)(F)F A13 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine +CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C A14 (1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid +c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O A15 3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO A16 4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose +Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5 A17 n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide +c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl A18 5-(2-chlorobenzyl)-2-furoic acid +c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl A19 5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid +CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC A1A 6-amino hexanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O A1B 1-deoxy-alpha-l-xylulofuranose-1,2-borate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C A1C 1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5 A1E (5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C A1F 1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N A1G (2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid +c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4 A1H 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2 A1I n-(cyclopent-3-ene-1-carbonyl)-l-histidine +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O A1J 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl A1K [4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC A1L [2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O A1M phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C A1N (2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C A1O quinabactin +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O A1P 9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O A1Q methyl l-glycero-alpha-d-manno-heptopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N A1R 5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O A1S isopentyl-coenzyme a +CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 A1T 5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide +Cc1cnc(c(n1)C)O A1U 3,5-dimethylpyrazin-2-ol +c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O A1V 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid) +CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O A1X ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate +Cc1cc(nc(c1C#N)N2CCOCC2)C A1Y 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile +c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O A1Z vadadustat +C(CN)CS(=O)(=O)O A20 3-aminopropane-1-sulfonic acid +C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F A21 (5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N A22 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N A23 adenosine-5'-phosphate-2',3'-cyclic phosphate +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3 A24 (3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside +c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2 A25 18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O A26 (2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4 A27 n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide +CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3 A28 n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(cc(c1)O)C(=O)C(=O)O A29 2-(3-hydroxyphenyl)-2-oxo-ethanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O A2B l-xylulofuranose-1,2-borate +[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O A2C 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N A2D bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5 A2E (5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +c1[nH]c2c(nc(nc2n1)F)N A2F 2-fluoroadenine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O A2G 2-acetamido-2-deoxy-alpha-d-galactopyranose +[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A2H 4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C A2I 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide +c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F A2J 3-(trifluoromethyl)quinoxalin-2(1h)-one +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7 A2K (8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O A2L 3'-o-methyoxyethyl-adenosine 5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A2M 2'-o-methyladenosine 5'-(dihydrogen phosphate) +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O A2N [(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3 A2O n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N A2P adenosine-2'-5'-diphosphate +C1CC=CC(=O)C1 A2Q cyclohex-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N A2R [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C A2T n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F A2V 1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4 A2W 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole +Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C A2X 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide +c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4 A2Y (3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium +CC1=CC(=O)N(c2c1ccc3c2OCO3)C A2Z 6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A31 n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3 A32 (3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside +C(C(=O)O)C(CC(=O)O)(C(=O)O)N A33 2-(carboxymethyl)-d-aspartic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A34 n6-methyl deoxyadenosine 5'-monophosphate +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A35 2-amino deoxyadenosine 5'-monophosphate +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F A36 n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide +c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl A37 2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A38 8-oxy deoxyadenosine-5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A39 2'-o-methyl-adenosine 5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A3A 2'deoxy-alpha-anomeric-adenosine-5'-phosphate +C=C[C@H](C(=O)[O-])[NH3+] A3B d-vinylglycine +C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C A3C 2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O A3D 3-acetylpyridine adenine dinucleotide +CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4 A3E 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine +COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N A3G 3'-deoxy-3'-(glycylamino)adenosine +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C A3H 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O A3J 2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N A3K 6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N1CCCC1)N A3M 2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one +C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A3N 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N A3P adenosine-3'-5'-diphosphate +c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N A3Q 4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N A3R adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N A3S serine-3'-aminoadenosine +C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O A3T 3'-deoxy-3'-(l-threonylamino)adenosine +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O A3V (1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F A3W 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine +C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O A3X n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone +c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F A3Y 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A40 n2-methyl 2'-deoxyadenosine 5'-monophosphate +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2 A41 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid +COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC A42 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N A43 3'-amino deoxyadenosine 5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A44 2'-o-methyoxyethyl-adenosine 5'-monophosphate +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O A45 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid +c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl A46 5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide +CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A47 n6-methoxy adenosine 5'-monophosphate +B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O A48 4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O A49 n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5 A4A [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one +COc1ccccc1c2ccc(cc2Cl)CN A4B [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C A4C 9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide} +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N A4D 5'-thioadenosine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C A4E 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O A4F 5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO A4G [(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol +CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C A4H (2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC A4I (1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O A4J 6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C A4K (~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid +CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O A4L 9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium +Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N A4M [3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone +Cc1ccccc1c2ccc(cc2Cl)CN A4N [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine +c1cc(c(cc1O)O)/C=N/NC(=S)N A4O n-(2,4-dihydroxybenzylidene)-thiosemicarbazone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N A4P 6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin +CCc1ccccc1c2ccc(cc2Cl)CN A4Q [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C A4R n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1 A4S (2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(c(c1)c2ccc(cc2Cl)CN)F A4T [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine +c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N A4V 3-benzyladenine +c1cc(c(c(c1)Cl)F)NC(=O)CCS A4W ~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C A4X 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide +Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O A4Y (2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid +CCCCOc1ccc(cc1)CC(=O)NO A4Z 2-(4-butoxyphenyl)-n-hydroxyacetamide +CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A50 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +c1ccc(cc1)N\C=C\2/CCOC2=O A51 (3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one +[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A52 3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N A53 5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl A54 2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile +c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F A55 n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide +c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br A56 6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine +Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C A57 1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium +CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O A58 4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid +CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A59 2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N A5A '5'-o-(n-(l-alanyl)-sulfamoyl)adenosine +COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F A5B alisertib +C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O A5C alpha-l-talofuranose +c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A5D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol +c1cc(sc1)C2=NNC(=O)CC2 A5E 3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N A5F n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide +CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N A5G 1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine +c1cc(ccc1C2=CSC3=NCCN23)Cl A5H 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole +COc1cc(cc(c1O)OC)/C=N/NC(=S)N A5I n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone +c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O A5J (1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol +c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F A5K 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N A5L 9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N A5M 2'-amine-cytidine-5'-monophosphate +[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O A5N o-carboxy-4-imino-l-homoserine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A5O adenine arabinose-5'-phosphate +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O A5P arabinose-5-phosphate +c1cc(ccc1c2c(snn2)N)C(F)(F)F A5Q 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine +C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N A5R amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A5T (1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N A5U methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O A5V (1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +COc1ccccc1C2CCN(CC2)C(=O)C3CCC3 A5W cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O A5X 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5 A5Y 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1c(c(no1)c2c(cccc2Cl)Cl)CO A5Z [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N A60 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 A61 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl A62 (3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one +COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 A63 2-(4-methoxyphenyl)-4h-chromen-4-one +CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 A64 4'-isopropylflavone +CSc1c(c(sn1)SC)CO A65 [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol +c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N A66 2-aminoethyllysine-carbonylmethylene-adenine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C A68 n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide +c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5 A69 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N A6A 2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A6B (3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N A6C 2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A6D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol +c1cc(ccc1OCCC(=O)N2CCSCC2)F A6E 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one +c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N A6G 2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl A6H 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine +C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 A6I n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F A6J (3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6K (3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O A6L 2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6M (3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O A6N 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole +CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC A6O (2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O A6P 6-o-phosphono-alpha-d-allopyranose +CCNC(=S)N/N=C/c1ccc(c(c1)O)O A6Q n-(3,4-dihydroxybenzylidene)-thiosemicarbazone +CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C A6R arsenoplatin-1 +COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5 A6S 1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A6T (1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O A6U 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O A6V (1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol +COC(=O)c1c(cc(s1)c2cccs2)N A6W methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate +Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C A6Y (s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N A6Z 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C A70 n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide +C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN A71 (6-aminohexylamine)(triammine) platinum(ii) complex +CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC A72 trans-bis(hexylamine)-(diammine) platinum(ii) complex +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br A73 2-(4-bromophenyl)-4h-chromen-4-one +COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC A74 2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3 A75 2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A76 n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A77 n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4 A78 n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A79 n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C A7A (r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +CC1=CC(=O)Nc2c1cccc2OC A7B 8-methoxy-4-methylquinolin-2(1h)-one +c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br A7C 3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N A7D 5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine +C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A7E 3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5 A7G 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole +CCOc1ccc2c(c1)sc(n2)C A7H 6-ethoxy-2-methyl-1,3-benzothiazole +CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl A7I 5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide +c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium +CCNC(=S)N/N=C/c1cc(ccc1O)O A7L n-(2,5-dihydroxybenzylidene)-thiosemicarbazone +Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C A7M {1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol +CCOc1ccc(cc1)[C@@H](C)N A7N (1~{r})-1-(4-ethoxyphenyl)ethanamine +COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O A7O (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone +c1ccc(cc1)Oc2ccc(cn2)CO A7Q (6-phenoxypyridin-3-yl)methanol +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N A7R [[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C A7S 1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl A7T (1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +c1cc2cc(cnc2c(c1)N)O A7W 8-amino-3-quinolinol +CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC A7Y n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide +COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F A7Z 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate +CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C A80 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid +C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-] A81 6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one) +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4 A82 2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC A83 tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate +CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F A84 2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4 A85 n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O A86 (3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate +CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3 A87 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol +COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5 A88 (5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N A89 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5 A8B n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine +CSCCC(=O)O A8C 3-(methylsulfanyl)propanoic acid +COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C A8D 5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide +C=C(C[C@@H](C(=O)O)N)Br A8E (2s)-2-amino-4-bromopent-4-enoic acid +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3 A8F 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one +C1CO[C@@H]1C(=O)O A8G (2s)-oxetane-2-carboxylic acid +c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O A8H (3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione +c1cc(ccc1O)Sc2ccc(cc2)O A8K 4-(4-hydroxyphenyl)sulfanylphenol +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O A8L 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N A8M 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine +c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+] A8N n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane +Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O A8O 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile +CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N A8P 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol +CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+] A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium +CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C A8S (2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N A8U propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O A8V (1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C A8W pregnenolone sulfate +c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F A8X 3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O A8Z tetrahydrodeoxycorticosterone +c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O A90 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid +Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O A91 3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one +c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N A92 2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide +Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F A93 4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate +Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O A94 n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4 A95 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide +c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F A96 6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide +CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C A97 n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide +CCSc1nnc(s1)NC(=O)OC A98 methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate +C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A99 5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine +c1cc(ccc1c2ccc(o2)C(=O)NN)Cl A9B 5-(4-chlorophenyl)furan-2-carbohydrazide +CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9C n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N A9D (2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate +CCc1ccc(cc1)OCC(=O)N2CCCCC2 A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone +CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9F n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C A9G 1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C A9H abietic acid +FP(F)(F)(F)(F)F A9J hexafluorophosphate anion +c1ccc(c(c1)c2ccc(cc2Cl)CN)O A9K 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol +CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C A9L n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide +CCCCCCCCCCCCCCCCCCCC(=O)NCCO A9M n-(2-hydroxyethyl)icosanamide +Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C A9N n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide +CCc1c(c(no1)C)c2ccccc2 A9O 5-ethyl-3-methyl-4-phenyl-1,2-oxazole +Cc1c(c(on1)C)c2ccccc2 A9P 3,5 dimethyl-4-phenyl-1,2-oxazole +COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC A9Q 3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4 A9R 7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine +CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C A9S (2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl A9T 2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide +c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N A9U 2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O A9V (1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O A9W [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium +Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4 A9Y (3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O A9Z 2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c3ccccc3[nH+]2)N AA 9-aminoacridine +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6 AA0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide +CCOC(=O)CCC(=O)N(CC(=O)O)N AA1 [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid +CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N AA2 4-aryl-2-phenylamino pyrimidine +CCC(C(=O)O)N AA3 2-aminobutyric acid +C(C[C@@H](C(=O)O)N)CO AA4 2-amino-5-hydroxypentanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O AA5 n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine +CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O AA6 3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6 AA7 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine +C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O AA8 anguinomycin a, bound form +CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O AA9 n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C AAA (2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O AAB 2'-deoxy-ribofuranose-5'-monophosphate +CC(=O)NCC(=O)O AAC acetylamino-acetic acid +C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AAD (2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium +CC(=O)CC(=O)O AAE acetoacetic acid +COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN AAF methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate +CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O AAG n-alpha-l-acetyl-arginine +c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-] AAH 1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid +CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N AAI trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C AAK ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O AAL 3,6-anhydro-alpha-l-galactopyranose +c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AAM alpha-adenosine monophosphate +c1cc(ccc1CC(=O)O)[N+](=O)[O-] AAN 2-(4-nitrophenyl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO AAO acarbose derived hexasaccharide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C AAP alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide +CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N AAQ 6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N AAR arginineamide +CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N AAS 3-actoxymercuri-4-aminobenzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N AAT s-adenosyl-1,8-diamino-3-thiooctane +COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5 AAU (5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5 AAV n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide +COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5 AAX n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C AAY 8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate +CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC AAZ n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine +COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O AB0 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C AB1 n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC AB2 [1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate +CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N AB3 3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O AB4 2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide +[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O AB5 2(s)-amino-6-boronohexanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N AB6 (2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide +CC[C@@H](C(=O)O)N AB7 alpha-aminobutyric acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C AB8 (1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N AB9 (2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide +CC[C@@H](C(=O)O)N ABA alpha-aminobutyric acid +CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O ABB (2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO ABC modified acarbose hexasaccharide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O ABD acarbose derived hexasaccharide +C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O ABE alpha-d-abequopyranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O ABF 5-o-phosphono-beta-d-arabinofuranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N ABG adenosine 5'-[beta,gamma-methylene]triphosphate +[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O ABH 2(s)-amino-6-boronohexanoic acid +c1cc2c(cc1C(=[NH2+])N)[nH]cn2 ABI 5-amidino-benzimidazole +CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N ABJ 3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol +C([C@@H](C(=O)C(=O)O)N)C(F)F ABK 3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O ABL (2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside +C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ABM methyl phosphonic acid adenosine ester +c1ccc(cc1)CN ABN benzylamine +COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 ABO 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N ABP 8-bromoadenosine-5'-diphosphate +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F ABQ [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone +c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABR (r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABS (s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O ABT 3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate +C(CC(=O)O)CN ABU gamma-amino-butanoic acid +c1ccc2c(c1)nc(s2)N ABV 1,3-benzothiazol-2-amine +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C ABW 5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C ABX 5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline +COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN ABY n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine +c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl ABZ 4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile +CC(=O)c1ccccc1 AC0 1-phenylethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO AC1 4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +c1nc2c(n1COCCO)N=C(NC2=O)N AC2 9-hyroxyethoxymethylguanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AC4 aminoimidazole 4-carboxamide ribonucleotide +C1CCC(C1)(C(=O)O)N AC5 1-aminocyclopentanecarboxylic acid +CC(=O)c1ccc(cc1)O AC6 p-hydroxyacetophenone +COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N AC7 dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O AC8 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate +CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C AC9 trisacetylacetonatochromium(iii) +C(CCC(=O)O)CCN ACA 6-aminohexanoic acid +C[C@@H]([C@H](C(=O)O)N)C(=O)O ACB 3-methyl-beta-d-aspartic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+] ACC n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine +CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O ACD arachidonic acid +CC=O ACE acetyl group +c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl ACF 3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO ACG modified acarbose pentasaccharide +CC(=O)OCC[N+](C)(C)C ACH acetylcholine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO ACI 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol +c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-] ACJ 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N ACK 2',3'- cyclic amp +C(C[C@@H](C(=O)CCl)N)CNC(=N)N ACL deoxy-chloromethyl-arginine +CC(=O)N ACM acetamide +CC(=O)C ACN acetone +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ACO acetyl coenzyme *a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N ACP phosphomethylphosphonic acid adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N ACQ diphosphomethylphosphonic acid adenylate ester +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO ACR alpha-acarbose +C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S ACS 1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one +CC(=O)[O-] ACT acetate ion +CC=O ACU acetaldehyde +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACV l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine +CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACW d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O ACX alpha-cyclodextrin (cyclohexa-amylose) +CC(=O)O ACY acetic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N ACZ cis-amiclenomycin +CN1C[C@H](C2=CC(=O)C(=O)C=C21)O AD1 (3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N AD2 2'-deoxy-adenosine-3'-5'-diphosphate +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N AD3 3-deaza-adenosine +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O AD4 (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate +c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5 AD5 n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine +CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br AD6 4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O AD7 octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside +c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3 AD8 1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N AD9 adp metavanadate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O ADA alpha-d-galactopyranuronic acid +c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl ADB 4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile +c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N ADC (1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine +CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC ADD 2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid +c1[nH]c2c(n1)c(ncn2)N ADE adenine +CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O ADF 4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O ADG o-3-amino-3-deoxy-alpha-d-glucopyranose +C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O ADH 1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N ADI 2',3'-dideoxyadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N ADJ nicotinamide-adenine-dinucleotide-adenylate intermediate +Cn1cnc(c-2ncnc12)N ADK 3-methyl-3h-purin-6-ylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 ADL (1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid +C1C2CC3CC1CC(C2)C3 ADM adamantane +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N ADN adenosine +C1C2CC3CC1CC(C2)C3=O ADO adamantanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N ADP adenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N ADQ adenosine-5'-diphosphate-glucose +C1[C@H](CO[C@@H]([C@H]1O)CN)N ADR 2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N ADS adenosine-5'-(dithio)phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C ADT 3'-deoxy-3'-acetamido-thymidine +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO ADU 3'-deoxy-3'-acetamido-uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N ADV alpha-beta methylene adp-ribose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N ADW adenosine-5'-ditungstate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N ADX adenosine-5'-phosphosulfate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N ADY 3'-oxo-adenosine +Cn1cnc2c1ncnc2N ADZ 9-methyl-9h-purin-6-amine +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C AE0 ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate +CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O AE1 2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AE2 aetiocholanolone +CCOCCOCCO AE3 2-(2-ethoxyethoxy)ethanol +CCOCCOCCOCCOCCOCCO AE4 3,6,9,12,15-pentaoxaheptadecan-1-ol +C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N AE5 n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid +Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5 AE6 6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one +Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4 AE7 (3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O AE8 (s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one +C(CO)N=[N+]=[N-] AE9 2-azidoethanol +C([C@H](C(=O)N)N)SCC(=O)O AEA (2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid +c1cc(c(cc1CCN)C2CCCCC2)O AED 4-(2-aminoethyl)-2-cyclohexylphenol +CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 AEE 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1cc(ccc1CCN)O AEF 4-(2-aminoethyl)phenol +C[C@H](Cc1ccc(cc1)O)N AEG 4-[(2r)-2-aminopropyl]phenol +CCc1cc(ccc1O)CCN AEH 4-(2-aminoethyl)-2-ethylphenol +C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N AEI threonine-aspartic ester +c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O AEJ (1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol +CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O AEK 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O AEL 2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +[H]/N=C/CN AEM 2-aminoethanimidic acid +CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O AEN 5-(1-sulfonaphthyl)-acetylamino-ethylamine +c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O AEO 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O AEP 3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid +CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC AEQ methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O AER abiraterone +c1cc(ccc1CCN)S(=O)(=O)F AES 4-(2-aminoethyl)benzenesulfonyl fluoride +C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O AET n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate +c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3 AEU n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine +CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4 AEV 2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one +CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N AEW 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one +CCCCNc1cc2c3ccccc3[nH]c2cn1 AEX n-butyl-9h-beta-carbolin-3-amine +c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3 AEY 7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O AEZ (4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol +c1ccc-2c(c1)Cc3c2ccc(c3)N AF 2-aminofluorene +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F AF0 n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide +CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO AF1 4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N AF2 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) +F[Al](F)F AF3 aluminum fluoride +CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N AF4 2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5 AF5 (7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid +c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2 AF6 n-benzyl-9h-beta-carbolin-3-amine +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C AF7 (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 AF8 3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide +CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC AF9 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide +CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O AFA n-[7-methyl-oct-2,4-dienoyl]asparagine +C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O AFB 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one +CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N AFC (3r,12r)-3-amino-12-methyltetradecanoic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O AFD alpha-d-allopyranose +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O AFE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3 AFF 2-acetylaminofluorene-3-yl +c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N AFG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N AFH adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose +c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O AFI 2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O AFJ (2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide +Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC AFK [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O AFL alpha-l-fucose +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F AFM 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O AFN 8,9-dihydro-9-hydroxy-aflatoxin b1 +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AFO octyl alpha-d-arabinofuranoside +C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O AFP 1,6-di-o-phosphono-alpha-d-fructofuranose +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N AFQ 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O AFR alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride +C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N AFS n-[(1r)-1-phosphonoethyl]-l-alaninamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2 AFT aflatoxin b1 +c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4 AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5 AFV 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide +COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F AFW [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N AFX (4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O AFY (3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid +[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N AFZ 2,4-bis(4-amidinophenyl)furan +[Ag+] AG silver ion +CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5 AG0 (6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+] AG1 ruthenium pyridocarbazole +C(CCNC(=N)N)CN AG2 agmatine +[H]/N=C(/N)\NCCCCNCCCN AG3 1-{4-[(3-aminopropyl)amino]butyl}guanidine +COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N AG4 n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N AG5 n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3 AG6 n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C AG7 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester +C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C AG8 s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate +C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O AG9 agmatidine +CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O AGA (1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 AGB n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O AGC alpha-d-glucose +c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N AGD 3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine +Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2 AGE (2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide +C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 AGF o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate +CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O AGG tirofiban +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O AGH n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O AGI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO AGJ n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide +C1[C@H]([C@H]([C@H](NN1)CO)O)O AGK (3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N AGL 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N AGM 5-methyl-arginine +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N AGN phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O AGO 2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O AGP 2-deoxy-2-amino glucitol-6-phosphate +[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N AGQ 3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O AGR [(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N AGS phosphothiophosphoric acid-adenylate ester +C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN AGT s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine +C(=N)(N)NN AGU aminoguanidine +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O AGV (2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol +c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O AGW [(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate +C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl AGX (1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate +CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3 AGY 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C AH0 2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid +c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 AH1 aha001 +C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AH2 1-deoxy-alpha-d-mannopyranose +CCOc1cc2c(cc1OC)CCN(C2)C=O AH3 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO AH4 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide +CCOc1cc2c(cc1OC)CN(CC2)C=O AH6 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO AH7 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide +C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O AH8 (2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol +COc1cc2c(cc1OC)CN(CC2)C=O AH9 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C(CCC(=O)O)CCN AHA 6-amino hexanoic acid +[C@H]([C@@H](C(=O)N)O)(C(=O)O)N AHB beta-hydroxyasparagine +c1cc(ccc1CCC(=O)O)N AHC 4-aminohydrocinnamic acid +C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN AHD 4-amino-1-hydroxybutane-1,1-diyldiphosphonate +C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N AHE 2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid +COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O AHF 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol +C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHG 2,5-anhydro-1,6-di-o-phosphono-d-glucitol +CCCC[C@H]([C@@H](C(=O)O)O)N AHH amino-hydroxyheptanoic acid +C(C[NH3+])CN/C(=N/O)/N AHI 3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium +CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3 AHK 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium +[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N AHL n-hydroxy-l-argininamide +C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHM 2,5-anhydro-1,6-di-o-phosphono-d-mannitol +CC(=O)NCCc1c[nH]cn1 AHN n-[2-(1h-imidazol-4-yl)ethyl]acetamide +CC(=O)N(CCC[C@@H](C(=O)O)N)O AHO n-acetyl-n-hydroxy-l-ornithine +CCCCC[C@@H](C(=O)O)N AHP 2-amino-heptanoic acid +C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O AHQ (2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid +C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O AHR alpha-l-arabinofuranose +CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O AHS (3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid +c1cc(ccc1C[C@@H](CCC(N)O)N)O AHT 4-(2,5-diamino-5-hydroxy-pentyl)-phenol +C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I AHU 1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol +CCc1ccc2ccc(cc2c1)OC AHW 2-ethyl-7-methoxy-naphthalene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N AHX seryl-hydroxamate-adenosine monophosphate +CCCCCCC[C@H]([C@@H](C(=O)O)O)N AHY (2s,3r)-3-amino-2-hydroxydecanoic acid +Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AHZ adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 AI (2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide] +c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O AI1 n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide +[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O AI2 3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol +COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5 AI3 2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N AI5 (2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid +CCCCCCCOc1cccc(c1)C(=O)O AI7 3-(heptyloxy)benzoic acid +CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O AI8 ceftaroline, bound form +C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AI9 [(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN AIA (1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CC(C)(C(=O)O)N AIB alpha-aminoisobutyric acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C AIC (2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AIF [(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AIG hexyl 3-amino-3-deoxy-beta-d-galactopyranoside +C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIH (2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol +C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIJ (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C AIK n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide +c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3 AIL n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide +C1CC(=C2C=NC(=N2)N)CCC1N AIM 4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine +CC(=O)Oc1ccccc1C(=O)O AIN 2-(acetyloxy)benzoic acid +B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O AIO [(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid +c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N AIQ 2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N AIR 5-aminoimidazole ribonucleotide +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N AIS 5-aminoimidazole ribonucleoside +C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIT (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIU (2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O AIV hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+) +c1ccc(cc1)C[SeH] AIW phenylmethaneselenol +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C AIX (2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl AIZ 3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid +CC(=O)Nc1ccc2c(c1)sc(n2)NC AJ1 n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide +Cc1cc(nc2c1cccc2)O AJ2 4-methylquinolin-2-ol +C=CC[S@@](=O)C/C=C/S AJ3 3-(prop-2-ene-1-sulfinyl)-propene-1-thiol +CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F AJ4 7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC AJ5 3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N AJ6 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 AJ7 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O AJ8 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid +CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C AJ9 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one +CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O AJA (6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid +Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C AJB 2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2 AJD 5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid +C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O AJE (3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid +CC(=O)N=C1Nc2ccc(cc2S1)C#N AJG n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide +c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O AJH 4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid +Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F AJI 3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide +CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O AJJ 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3 AJK (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4 AJL (1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O AJM ajmaline +C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC AJN ajmalicine +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 AJP digitonin +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O AJQ [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid +CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO AJR 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol) +c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2 AJU 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid +C1=CC2=C(C(=O)N=C2C(=C1)F)NO AJV 7-fluoro-3-(hydroxyamino)-2h-indol-2-one +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4 AJX (1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +Cc1cc\2c(cc1Br)NC(=O)/C2=N\O AJY (3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4 AJZ 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F AK0 (1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F AK1 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3 AK2 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea +Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F AK3 1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3 AK4 (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid +COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3 AK5 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide +COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4 AK6 4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F AK7 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F AK8 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O AKA 10-decarboxymethylaclacinomycin a (dcmaa) +CC(=O)[C@@H](C(=O)O)N AKB 2-amino-3-ketobutyric acid +CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O AKC 2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2 AKD 5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate +c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO AKE 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +C(CC(=O)O)C(=O)C(=O)O AKG 2-oxoglutaric acid +c1cc2ccoc2c(c1)C(=O)O AKH 1-benzofuran-7-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6 AKI 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F AKJ 1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C/C=C\N AKK (1z)-prop-1-en-1-amine +C([C@@H](C(=O)CCl)N)C(=O)O AKL 3-amino-5-chloro-4-oxopentanoic acid +C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O AKM [(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N AKN (2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide +Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC AKO (1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3 AKP n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide +C=CC(=O)O AKR acrylic acid +CCCCCC(=O)NCCCCC#C AKS n-(hex-5-yn-1-yl)hexanamide +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O AKT 10-decarboxymethylaclacinomycin t (dcmat) +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4 AKU (1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O AKV {3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O AKW [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid +C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C AKX (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O AKY methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate +C([C@@H](C(O)O)N)C(=O)O AKZ (3s)-3-amino-4,4-dihydroxybutanoic acid +[Al+3] AL aluminum ion +C([C@@H](C(=O)O)N)N(N=O)O AL0 3-[hydroxy(nitroso)amino]-l-alanine +COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N AL1 3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL2 3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL3 3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC AL4 (r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL5 thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide) +COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N AL6 2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide +CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL7 (s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL8 (r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL9 n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide +C[C@@H](C(=O)O)N ALA alanine +C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 l-alaline c-terminal deprotonated fragment +C[C@@H](C(=O)O)[NH-] ALA_LEO2H l-alaline c-terminal protonated fragment +C[C@@H](C(=O)O)N ALA_LFOH l-alaline free neutral +C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW l-alaline free zwitterion +C[C@@H]([C-]=O)[NH-] ALA_LL l-alaline - linking embedded fragment +C[C@@H]([C-]=O)[NH3+] ALA_LSN3 l-alaline n-terminal protonated fragment +CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C ALB delta-2-albomycin a1 +C1CCC(CC1)C[C@@H](C(=O)O)N ALC 2-amino-3-cyclohexyl-propionic acid +CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ALD n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide +CNC[C@@H](c1ccc(c(c1)O)O)O ALE l-epinephrine +F[Al-](F)(F)F ALF tetrafluoroaluminate ion +[H]/N=C(\N)/NCCCC(=O)O ALG 4-carbamimidamidobutanoic acid +CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 ALH 6-phenyl[5h]pyrrolo[2,3-b]pyrazine +C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O ALI methyl n-acetyl allosamine +C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N ALJ cyclo-(l-arginine-l-proline) inhibitor +C[C@H](O)P(=O)(O)OC ALK methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O ALL beta-d-allopyranose +C[C@@H](C(=O)C)N ALM 1-methyl-alaninal +c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N ALN naphthalen-2-yl-3-alanine +C[C@@H]([C@@H](C(=O)O)N)O ALO allo-threonine +CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C ALP 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)C(=O)O ALQ 2-methyl-propionic acid +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O ALR alrestatin +[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N ALS (3s)-3-(sulfooxy)-l-serine +C[C@@H](C(=S)O)N ALT thioalanine +CC(=O)[P@](=O)(O)OC ALU methyl hydrogen (s)-acetylphosphonate +C[C@@H](C(O)O)N ALV (2s)-2-aminopropane-1,1-diol +CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC ALW methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O ALX 2-o-phosphono-alpha-d-glucopyranose +CC(=O)NCCCC[C@@H](C(=O)O)N ALY n(6)-acetyllysine +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN ALZ 2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester +[Am+3] AM americium ion +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5 AM0 n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine +Cc1c(c(no1)C(=O)O)CC(C(=O)O)N AM1 (s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid +CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O AM2 apramycin +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O AM3 (3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +CS(=O)(=O)c1ccc(cc1)C(=N)N AM4 4-(methylsulfonyl)benzenecarboximidamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F AM5 4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F AM6 2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6 AM7 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one +Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C AM8 n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide +Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C AM9 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O AMA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +CO\C=C/[C@@H](C(=O)O)N AMB l-2-amino-4-methoxy-cis-but-3-enoic acid +C1CCC(CC1)C[NH3+] AMC aminomethylcyclohexane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N AMD aspartyl-2'-deoxy-adenosine-5'-monophosphate +CC(=O)N[C@@H](CCSC)C(=O)O AME n-acetylmethionine +CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O AMF (3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O AMG methyl alpha-d-galactopyranoside +C1CC(CCC1CN)C(=O)O AMH trans-4-aminomethylcyclohexane-1-carboxylic acid +CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O AMI allosamizoline +CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1 AMJ n~2~-acetyl-n-benzyl-o-methyl-l-serinamide +CCCCCN AML amylamine +CC(C)C[C@H](C[Si](CN)(O)O)C=O AMM (2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O AMN methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N AMO aspartyl-adenosine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AMP adenosine monophosphate +Cc1c(c(no1)O)C[C@@H](C(=O)O)N AMQ (s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid +c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N AMR 3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide +c1cc(c(cc1S(=O)(=O)N)[Hg])N AMS 3-mercuri-4-aminobenzenesulfonamide +c1csc(n1)N AMT 2-aminothiazole +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C AMU n-acetyl-beta-muramic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C AMV methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N AMW adenosine monotungstate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O AMX amidocarboxymethyldethia coenzyme *a +CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AMY antimycin +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AMZ aminoimidazole 4-carboxamide ribonucleotide +CCC[C@@H](C(=O)O)NC(=O)C AN0 n-acetyl-l-norvaline +Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O AN1 3-(10-methyl-anthracen-9-yl)-propionic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N AN2 amp phosphoramidate +c1ccc2cc3ccccc3cc2c1 AN3 anthracene +c1cc(cnc1)C2=NCCCC2 AN4 3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C(=O)CCCCN AN5 5-amino-1-pyridin-3-ylpentan-1-one +CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AN6 5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O AN7 (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid +CCCCCCC[C@@H](C(=O)O)N AN8 (2s)-2-aminononanoic acid +CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC AN9 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C ANA methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C ANB androsta-1,4-diene-3,17-dione +c1ccc2cc3c(cccc3N)cc2c1 ANC anthracen-1-ylamine +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C AND 3-beta-hydroxy-5-androsten-17-one +c1[nH]c2c(n1)c(ncn2)N ANE adenine +c1ccc2c(c1)cc3ccccc3c2O ANF anthrone +c12c([nH]c(n1)N)N=C(NC2=O)N ANG 8-aminoguanine +Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC ANH methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate +c1cc(ccc1C(F)(F)F)N ANI 4-(trifluoromethyl)aniline +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC ANJ (2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N ANK 9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine +c1ccc(cc1)N ANL aniline +CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O ANM anisomycin +COc1ccc(cc1)C(=O)O ANN 4-methoxybenzoic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ANO 5-beta-androstane-3,17-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N ANP phosphoaminophosphonic acid-adenylate ester +c1cc2cccc3c2c(c1)C(=O)C3=O ANQ acenaphthenequinone +CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C ANR anhydroretinol +CN(C)c1cccc2c1cccc2S(=O)(=O)O ANS 5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid) +Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O ANT anthramycin +C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O ANU 2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil +c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O ANV 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O ANW 2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-] ANX 2,5-dinitrophenol +CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC ANY 2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester +[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ANZ [(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate +CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C AO acridine orange +CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N AO1 (2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide +Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O AO2 n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O AO3 allosamidin +c1cnc(cc1C(=O)O)Cl AO4 2-chloropyridine-4-carboxylic acid +CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N AO5 n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide +CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O AO6 2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione +c1ccc2c(c1)C(=O)C=C(O2)C(=O)O AO7 4-oxo-4h-1-benzopyran-2-carboxylic acid +B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid +c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O AO9 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine +C(C(=O)O)ON AOA (aminooxy)acetic acid +c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N AOB (e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AOC 5'-o-prop-2-yn-1-yladenosine +c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O AOD 5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O AOE n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O AOF n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AOG octyl 3-amino-3-deoxy-beta-d-galactopyranoside +CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C AOH 8(1)-oh-chlorophyll af +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOI androsterone +c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O AOJ (3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C AOK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine +C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N AOL (1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O AOM 5-alpha-androstane-3-beta,17beta-diol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O AON 5-alpha-androstane-3-beta,17-alpha-diol +CCNc1nc(nc(n1)OC)NC(C)C AOO n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine +CCCCCONCC=O AOP pentyloxyamino-acetaldehyde +c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione +CC(=O)N[C@@H](CCCN)C(=O)O AOR n~2~-acetyl-l-ornithine +C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O AOS d-allose +c1ccc(cc1)NC(=O)C(=O)O AOT 2-oxidanylidene-2-phenylazanyl-ethanoic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C AOU (2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N AOV adp orthovanadate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O AOW [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOX (3beta,5alpha)-3-hydroxyandrostan-17-one +c1ccc(cc1)N/C=C/2\CCCOC2=O AOY (3e)-3-[(phenylamino)methylidene]oxan-2-one +CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O AOZ histopine +c1cc2ccc3ccc(c4c3c2c(c1)cc4)N AP n-1-aminopyrene +CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O AP0 acetyl pyridine adenine dinucleotide, reduced +CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O AP1 {3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N AP2 phosphomethylphosphonic acid adenosyl ester +CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C AP3 2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N AP4 7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N AP5 bis(adenosine)-5'-pentaphosphate +c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2 AP6 2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AP7 n1-protonated adenosine-5'-monophosphate +C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC AP8 (8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate +CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N AP9 (2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N APA (2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid +B(c1cccc(c1)N)(O)O APB m-aminophenylboronic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N APC diphosphomethylphosphonic acid adenosyl ester +Cc1cccc(c1)C[C@@H](C(=O)O)N APD 3-methylphenylalanine +c1ccc(cc1)C[C@H](N)NC(=O)O APE (1-amino-2-phenyl-ethyl)-carbamic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F APF 1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone) +C[C@](c1ccccc1)(C(=O)O)O APG atrolactic acid (2-phenyl-lactic acid) +c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N APH p-amidinophenyl-3-alanine +C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N API 2,6-diaminopimelic acid +c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2 APJ n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N APK 5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine +CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O APL n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide +c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N APM m-amidinophenyl-3-alanine +c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N APN 2-aminoethylglycine-carbonylmethylene-adenine +C([C@H](C(=O)O)N)P(=O)(O)O APO d-2-amino-3-phosphono-propionic acid +CC(=O)N1CCCC[C@H]1C(=O)O APP 1-acetyl-2-carboxypiperidine +CCCSCc1cc(cc2c1N=C(NC2=O)N)N APQ 2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N APR adenosine-5-diphosphoribose +C[C@@H](Cn1cnc2c1ncnc2N)O APS 9-hydroxypropyladenine, s-isomer +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O APT 2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N APU adenylyl-3'-5'-phospho-uridine-3'-monophosphate +C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O APV 6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N APW {5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N APX 2'-monophosphoadenosine-5'-diphosphoribose +c1ccnc(c1)CN APY 2-aminomethyl-pyridine +c1cc2c(cc1N)C(=O)NNC2=O APZ 4-aminophthalhydrazide +c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-] AQ0 2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one +CCCC1=CC(=O)NC(=N1)Nc2ccccc2F AQ1 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one +CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4 AQ2 n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O AQ3 n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine +COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C AQ4 [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5 AQ5 (6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O AQ6 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid +CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O AQ7 n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC AQ8 ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O AQ9 1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose +C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O AQA 4-deoxy-beta-l-threo-hex-4-enopyranuronic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C AQB n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N AQC 9,10-dioxo-9,10-dihydroanthracene-2-carboxamide +C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl AQD nemonapride +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5 AQE 2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole +CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 AQG 4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N AQH [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O AQJ (3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C(C[C@@H](C(=O)O)NCC(=O)O)CN AQK (2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C AQM n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O AQN 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)NC(=N2)N AQO 2-aminoquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N AQP adenosine-5'-tetraphosphate +C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O AQQ (2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] AQS n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC AQT ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4 AQU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea +C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C AQV 2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl AQW 2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-] AQY n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 AQZ n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide +[Ar] AR argon +c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O AR0 4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O AR1 (2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N AR2 arginyl-benzothiazole-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O AR3 cytarabine +C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N AR4 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C AR5 n~2~-(tert-butoxycarbonyl)-l-arginine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N AR6 [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +C(C[C@@H](C(O)O)N)CNC(=[NH2+])N AR7 amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O AR8 n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O AR9 (2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O ARA alpha-l-arabinopyranose +C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O ARB beta-l-arabinopyranose +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO ARC 3,7,11,15-tetramethyl-hexadecan-1-ol +Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C ARD c15-(r)-methylthienyl rapamycin +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO ARE acarbose derived pentasaccharide +C(=O)N ARF formamide +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG arginine +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2 l-arginine c-terminal deprotonated fragment +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H l-arginine c-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH12 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH22 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H_RNH1 l-arginine-c-terminal protonated fragment/side chain resonance alternate +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH12 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH22 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2_RNH1 l-arginine-c-terminal deprotonated fragment/side chain resonance alternate +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH l-arginine free neutral +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH12 l-arginine-free neutral/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH22 l-arginine-free neutral/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH_RNH1 l-arginine-free neutral/side chain resonance alternate +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW l-arginine free zwitterion +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH12 l-arginine-free zwitterion/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH22 l-arginine-free zwitterion/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW_RNH1 l-arginine-free zwitterion/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL l-arginine - linking embedded fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH12 l-arginine-linking embedded fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH22 l-arginine-linking embedded fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL_RNH1 l-arginine-linking embedded fragment/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3 l-arginine n-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH12 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH22 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3_RNH1 l-arginine-n-terminal protonated fragment/side chain resonance alternate +C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O ARH 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione +C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C ARI (2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N ARJ (2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O ARK n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C ARL 7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid +CC(=O)[C@H](CCCNC(=N)N)N ARM deoxy-methyl-arginine +C(CC=N)CC=O ARN 1-imino-5-pentanone +C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N ARO c-gamma-hydroxy arginine +C[C@H](Cn1cnc2c1ncnc2N)O ARP 9-hydroxypropyladenine, r-isomer +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O ARQ benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl ARR n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[As] ARS arsenic +[O-][As](=O)([O-])[O-] ART arsenate +CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O ARU 5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine +C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N ARV 5-n-allyl-arginine +CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O ARW methyl beta-d-arabinopyranoside +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ARX (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide +C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N ARZ (3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N AS 2-deoxy-adenosine -5'-thio-monophosphate +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O AS0 4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O AS1 argininosuccinate +C(C=O)[C@H](C(=O)O)N AS2 (2r)-2-amino-4-oxobutanoic acid +CCCc1cc(cc(n1)N)C AS3 4-methyl-6-propylpyridin-2-amine +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O AS4 aldosterone +Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO AS6 {4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol +c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N AS7 n4-(4-cyanobenzyl)-l-asparagine +CC(=O)OS(=O)(=O)O AS8 acetylsulfate +C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O AS9 n-[hydroxy(methyl)phosphoryl]-l-aspartic acid +C([C@@H](C=O)N)C(=O)O ASA aspartic aldehyde +C([C@@H](C(=O)O)N)C(=O)OCC(=O)O ASB aspartic acid-4-carboxymethyl ester +C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ASC ascorbic acid +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ASD 4-androstene-3-17-dione +CC(=O)NCCc1c[nH]c2c1cc(cc2)O ASE n-acetyl serotonin +CCCCS(=O)(=O)CCC(=O)O ASF 3-(butylsulphonyl)-propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O ASG 2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose +c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl ASH 3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine +C([C@@H](C(=O)[O-])N)C(=O)O ASI l-iso-aspartate +C([C@@H](CO)N)C(=O)O ASJ (3s)-3-amino-4-hydroxybutanoic acid +CC(=O)[C@H](CC(=O)O)N ASK dehydroxymethylaspartic acid +CC(C(=O)O)OC(=O)CC(C(=O)O)N ASL aspartic acid-4-carboxyethyl ester +c1ccn(c1)C(=O)C[C@@H](C(=O)O)N ASM 2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid +C([C@@H](C(=O)O)N)C(=O)N ASN asparagine +C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 l-asparagine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H l-asparagine c-terminal protonated fragment +C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH l-asparagine free neutral +C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW l-asparagine free zwitterion +C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL l-asparagine - linking embedded fragment +C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 l-asparagine n-terminal protonated fragment +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O ASO 1,5-anhydro-d-glucitol +C([C@@H](C(=O)O)N)C(=O)O ASP aspartic acid +C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 l-aspartic acid c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H l-aspartic acid c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH-])C(=O)[O-] ASP_LEO2_DHD2 l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH l-aspartic acid free neutral +C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 l-aspartic acid-free neutral/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW l-aspartic acid free zwitterion +C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] ASP_LFZW_DHD2 l-aspartic acid-free zwitterion/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL l-aspartic acid - linking embedded fragment +C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 l-aspartic acid-linking embedded fragment/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 l-aspartic acid n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O ASQ phosphoaspartate +c1cc(ccc1N)[As](=O)(O)O ASR 4-aminophenylarsonic acid +C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4 ASS (e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine +[O-][As]([O-])[O-] AST arsenite +C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O ASU 4'-thio-2'4'-dideoxyribofuranose-5'-phosphate +C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ASV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine +COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C ASW n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide +*=C(*)C[C@@H](C(=O)O)N ASX asp/asn ambiguous +CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O ASY (12e)-10-oxooctadec-12-enoic acid +CN(C)CCS(=O)(=O)O ASZ 2-(dimethylamino)ethanesulfonic acid +CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N AT1 (s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C AT2 ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate +CC(=O)SCC[N+](C)(C)C AT3 acetylthiocholine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N AT4 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine +C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl AT5 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone +Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N AT6 n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N AT7 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl AT8 2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F AT9 [[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C ATA atrazine glutathione conjugate +CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O ATC 9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O ATD thymidine-3'-phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C ATE 16,17-androstene-3-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N ATF phosphodifluoromethylphosphonic acid-adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N ATG phosphothiophosphoric acid-adenylate ester +C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-] ATH 4-hydroxy-aconitate ion +CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N ATI n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid +CCO[P@H](=O)O ATJ ethyl hydrogen phosphonate +c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O ATK (1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O ATL [(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-] ATM 3'-azido-3'-deoxythymidine-5'-monophosphate +CC(=O)CCl ATO chloroacetone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N ATP adenosine-5'-triphosphate +C1CSC(=N1)N ATQ 2-aminothiazoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N ATR 2'-monophosphoadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N ATS gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate +CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S ATT 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2 ATU 9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4 ATV 2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O ATW (1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N ATX (2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C ATY 3'-o-acetylthymidine-5'-diphosphate +CCNc1nc(nc(n1)Cl)NC(C)C ATZ 2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine +[Au+] AU gold ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N AU1 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine +c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl AU2 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium +[Au+3] AU3 gold 3+ ion +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N AU4 4,4'-(aminomethylene)bis(n,n-dimethylaniline) +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5 AU5 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one +Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O AU6 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid +C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5 AU7 (2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl AU8 [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 AUB 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid +C(#N)[Au]C#N AUC gold (i) cyanide ion +CC1=CC(=O)NS(=O)(=O)O1 AUD acesulfame +c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N AUE 6-(3-chlorophenyl)pteridine-2,4,7-triamine +CC[P-](CC)(CC)[Au+] AUF triethylphosphanuidylgold(1+) +c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N AUG 6-(3-bromophenyl)pteridine-2,4,7-triamine +CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3 AUH 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine +CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O AUI 3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one +Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO AUJ 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C AUK 1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O AUL 2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C AUN (2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O AUO (8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid +c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5 AUP 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine +C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC AUQ (2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide +CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C AUR aurovertin b +CCc1ccccc1c2c(cc(cc2Cl)CN)Cl AUT [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine +C1CC2C[C@H]1[C@@](C2)(C(=O)O)N AUU (1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid +c1ccc(c(c1)c2cccc(c2)C(=O)O)O AUV 3-(2-hydroxyphenyl)benzoic acid +CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl AUW 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O AUX 4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine +Cc1cc(sc1)CNc2cnccc2C(=O)O AUY 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid +Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C AUZ bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O AV0 2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N AV1 [(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N AV2 adenosine-5'-diphosphate-2',3'-vanadate +CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC AV3 4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline +CN(C)c1cccc(c1)c2cccc(c2)C(=O)O AV4 3-[3-(dimethylamino)phenyl]benzoic acid +CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O AV5 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O AV6 4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol +CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O AV7 3-(3-acetamidophenyl)benzoic acid +CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1 AV9 tivozanib +c1ccnc(c1)c2cccc(c2)C(=O)O AVA 3-pyridin-2-ylbenzoic acid +c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2 AVB (3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N AVC adenosine-5'-monophosphate-2',3'-vanadate +c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O AVD 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F AVE 4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid +c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O AVF 1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid +C(COCCN)[C@@H](C(=O)O)N AVG 2-amino-4-(2-amino-ethoxy)-butyric acid +C=C[C@@H]1CCC([C@@H](C1)O)O AVH (1r,2r,4r)-4-ethenylcyclohexane-1,2-diol +CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O AVI n,n-dimethyl-l-histidine +C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O AVJ n,n,n-trimethyl-histidine +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 AVK ~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine +CC(C)c1c(c2ccccn2n1)C(=O)C(C)C AVL 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3 AVM 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid +C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N AVN (2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2 AVO pyrrolidinohistidine +c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N AVP acyclovir triphosphate +Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O AVQ 2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N AVR (2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O AVT 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N AVU [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N AVV [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N AVW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N AVX 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 AVY (1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3 AVZ (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium +Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C AW0 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AW1 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW2 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW3 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl AW4 (1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1)O)C(=O)O AW5 3-methyl-5-oxidanyl-benzoic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl AW6 4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide +c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 AW7 2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O AW8 2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +COC(=O)C=CC(=O)O AW9 (2z)-4-methoxy-4-oxobut-2-enoic acid +COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O AWA (6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AWB [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O AWC 2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine +CN1CCN(CC1)C(=O)Nc2ccc(cc2)F AWD ~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide +c1cc(cc(c1)F)c2ccc(cc2Cl)CN AWE [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine +Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F AWF 2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol +c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2 AWG ~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine +CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O AWH 3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid +Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F AWJ (2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C AWK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine +Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl AWL 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone +CN1CCN(CC1)c2nc3ccccc3s2 AWM 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3 AWN 2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine +CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC AWO n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea +c1cnccc1CCNC(=O)NC2CCCCC2 AWP 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea +Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O AWQ 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid +COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F AWR 4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine +CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O AWS 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC AWT 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O AWU [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3 AWV 3-(azepan-1-ylmethyl)-1~{h}-indole +Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC AWW [2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C AWX n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide +CC(=O)NCCc1cccc2c1cc(cc2)OC AWY ~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC AWZ ~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C AX0 n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide +c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 AX1 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1(nc(nc(n1)N)N)N AX2 1,3,5-triazine-2,4,6-triamine +C1CC1Nc2nc(nc(n2)N)N AX3 n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine +Cc1ccc(cc1)Sc2cc(nc(n2)N)N AX4 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc(cc1)CSc2cc(nc(n2)N)N AX5 6-(benzylsulfanyl)pyrimidine-2,4-diamine +COc1ccc(cc1)CSc2cc(nc(n2)N)N AX6 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc2c(c1)[nH]c(n2)N AX7 1h-benzimidazol-2-amine +c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N AX8 1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2 AXA (5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N AXB n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide +Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4 AXC 5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline +CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN AXD 2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid +C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC AXE 6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O AXF (2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide +c1ccc(cc1)CN2CCC(CC2)n3cccc3 AXG 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC AXH 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine +CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4 AXI axitinib +CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C AXJ [(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol +c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AXK [(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C AXL 2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1C2CC3CC1CC(C2)(C3)CC(=O)NO AXM n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C AXN ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +C/C=N/O AXO (1e)-n-hydroxyethanimine +CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O AXP (1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O AXQ {(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester +CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AXR methyl alpha-d-arabinofuranoside +c1cc(ccc1CNC[C@H]2CCCO2)F AXS 1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C AXT astaxanthin +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C AXU 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one +c1ccc2c(c1)[nH]c(n2)NC#N AXV 1~{h}-benzimidazol-2-ylcyanamide +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F AXW 6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1 AXX 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4 AXY (2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid +c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O AXZ 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O AY0 (1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C AY1 [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C AY2 ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +c1c[nH]nc1c2cc(cc(c2O)F)F AY4 2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol +c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AY5 [(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl AY6 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl AY7 asciminib +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3 AY8 [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid +C1C(=O)C(=C[C@H](O1)CO)O AY9 ascopyrone m +C[C@@H](C(=O)O)NC(=O)C AYA n-acetylalanine +CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N AYB 5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H](C(=O)CCC(=O)O)NC(=O)C AYC alaremycin 2 +Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C AYD 4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate +C=CCN AYE prop-2-en-1-amine +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N AYG [(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O AYH (1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O AYI (1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester +CS(=O)(=O)N(CC(=O)N)C1CCCCC1 AYJ 2-[cyclohexyl(methylsulfonyl)amino]ethanamide +CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYK (3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide +c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O AYL 5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine +Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N AYM 3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide +c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N AYN 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide +CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4 AYO (4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O AYQ n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide +c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2 AYR (2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one +c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl AYS 2-[(4-chlorophenyl)amino]benzamide +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYT (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N AYU [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(CO)(CO)NC(=O)Nc1ccccc1 AYV 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea +Cc1cc(cc2c1C(=O)CO2)O AYW 4-methyl-6-oxidanyl-1-benzofuran-3-one +c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N AYX 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide +c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O AYZ 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid +CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O AZ0 ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +C(CCCC(=O)O)CCCC(=O)O AZ1 azelaic acid +CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O AZ2 (2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid +[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N AZ3 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide +c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F AZ4 n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide +Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl AZ5 5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N AZ6 3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile +c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl AZ7 (3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid +c1nc2c(nn1)NC(=O)NC2=O AZ8 pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +CN1C(=O)c2c(nncn2)NC1=O AZ9 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +c12c([nH]nn1)NC(=O)NC2=O AZA 8-azaxanthine +CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O AZB 4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol +CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AZC n-(acetylcarbamoyl)-beta-d-glucopyranosylamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZD 3'-azido-3'-deoxythymidine-5'-diphosphate +C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C AZE all-trans axerophthene +C1[C@H]([C@@H]([C@H](NN1)CO)O)O AZF azafagomine +c12c(nc(nc1O)N)nn[nH]2 AZG 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol +C(CN=[N+]=N)[C@@H](C(=O)O)N AZH azidohomoalanine +[N-]=[N+]=[N-] AZI azide ion +CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate +C(CCN=[N+]=[N-])C[C@@H](CO)N AZK (s)-2-amino-6-azidohexanoic acid +CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN AZL 1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine +CC(=O)Nc1nnc(s1)S(=O)(=O)N AZM 5-acetamido-1,3,4-thiadiazole-2-sulfonamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O AZN alizarin red +CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC AZO methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate +CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O AZP (5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C AZQ azapropazone +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O AZR 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid +C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-] AZS o-diazoacetyl-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZT 3'-azido-3'-deoxythymidine-5'-triphosphate +CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O AZU 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate +CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N AZV n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine +c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O AZW 4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O AZX 4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide +c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O AZY 3-azido-l-tyrosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] AZZ 3'-azido-3'-deoxythymidine +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3 B00 2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N B01 d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide +Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C B02 2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N B03 d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide +C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N B04 d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide +c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-] B05 n-[2-(benzyloxy)phenyl]-3-nitrobenzamide +c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F B06 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid +B(CNC(=O)c1c(cccc1OC)OC)(O)O B07 2,6 dimethoxybenzamidoboronic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B08 (1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid +CONS(=O)(=O)c1ccccc1 B09 n-methoxybenzenesulfonamide +c1ccc(cc1)OCC(=O)NC2CCCCC2 B0A ~{n}-cyclohexyl-2-phenoxy-ethanamide +CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C B0B (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C B0C n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide +C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O B0D (2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol +c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O B0E 1,3-bis(oxidanyl)benzo[c]chromen-6-one +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7 B0F (4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)COC(=O)N2CCC(CC2)O B0G (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate +Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C B0H ~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1cccc(c1)c2cccc(c2)C B0I 3,3'-dimethyl-1,1'-biphenyl +CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C B0J 4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol +c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine +C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O B0L 4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one +CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 B0M 1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone +Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO B0N [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol +C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C B0O (6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one +Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4 B0Q ~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F B0R 2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide +B(CCCCCCCCCCCCC)(O)O B0S tridecylboronic acid +CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O B0T (2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C(COCCOCCOCCN)C(=O)O B0U 3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid +Cc1cc(c(c(c1)C)NC(=O)COC)C B0V 2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O B0W 4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C B0X 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +CCc1ccc(s1)C(=O)NCc2cnn(c2)C B0Y 5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F B0Z (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5 B10 n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide +c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O B11 n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide +Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O B12 cobalamin +CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N B13 5-hydroxybenzimidazolylcob(iii)amide +c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N B14 1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine +c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N B15 [2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O B16 1,6-di-o-phosphono-beta-d-glucopyranose +c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B17 {1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper +C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C B18 (4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C B19 n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide +CC(=O)Nc1ccc(cc1)Nc2ccccc2 B1A ~{n}-(4-phenylazanylphenyl)ethanamide +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl B1B (2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O B1C n-(tert-butoxycarbonyl)-l-tyrosine +Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N B1E 3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide +B([C@H](Cc1ccccc1)N)(O)O B1F phenylalanine boronic acid +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O B1H (1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol +c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4 B1I n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine +c1cc(ccc1n2cc(nn2)CO)Cl B1J [1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol +COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O B1K (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O B1L 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate +CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO B1M co-5-methoxybenzimidazolylcobamide +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O B1N (1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol +Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C B1O 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O B1P 2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N B1Q (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B1R [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2 B1S (1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl B1T 2,2'-sulfanediylbis(4,6-dichlorophenol) +c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-] B1U 5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine +c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F B1V 2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N B1W (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N B1X 5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine +C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N B1Y (1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O B1Z adenosylcobalamin +c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N B2 (2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine +B1C=CC=CN1 B20 1,2-dihydro-1,2-azaborinine +COc1ccccc1c2ccc(o2)C(=O)O B21 5-(2-methoxyphenyl)-2-furoic acid +c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N B22 [2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper +c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-] B23 5-(2-nitrophenyl)-2-furoic acid +B1C=CC=CN1CC B24 1-ethyl-1,2-dihydro-1,2-azaborinine +[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N B25 5-nitro-1h-indole-2-carboximidamide +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N B26 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide +C[C@H]([C@@H](CS)N)O B27 (2r,3s) 3-amino-4-mercapto-2-butanol +c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B28 (1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid +c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B29 [2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid +B([C@H](C)N)(O)O B2A alanine boronic acid +CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O B2B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O B2C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1 B2D 7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine +CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O B2E (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine +B([C@H](Cc1ccccc1)N)(O)O B2F phenylalanine boronic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O B2G galactobiose +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O B2H chromophore (thr, trp, gly) +B([C@H]([C@H](C)CC)N)(O)O B2I isoleucine boronic acid +CCSc1nc(nc(n1)N)C B2J 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine +Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C B2K 4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine +Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3 B2L 4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine +Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl B2M 6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide +C([C@@H](CN)C(=O)O)C(=O)N B2N (2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid +CC(C)(C(=O)O)Br B2P 2-bromo-2-methylpropanoic acid +CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC B2Q (2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C B2R 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate +CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO B2S (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CSc1nc(nc(n1)N)c2ccccc2Cl B2T 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl B2U n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine +B([C@H](C(C)C)N)(O)O B2V valine boronic acid +C1CN=C(C=CN1)C(F)(F)F B2W 5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine +CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4 B2X 4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)c2ccccc2CN B2Y 1-biphenyl-2-ylmethanamine +C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F B2Z (3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide) +c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B30 {2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N B31 (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide +CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O B32 5'-s-[2-(decylamino)ethyl]-5'-thioadenosine +CCCNCCCNCCCNCC B33 n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine +CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O B34 (5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one +COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-] B35 4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6 B36 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6 B37 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline +Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5 B38 1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one +c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N B39 [(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate +C[C@@H](CC(=O)O)N B3A (3s)-3-aminobutanoic acid +c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O B3B 2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde +Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O B3C benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate +C(C(CC(=O)O)N)C(=O)O B3D 3-aminopentanedioic acid +C(CC(=O)O)[C@@H](CC(=O)O)N B3E (3s)-3-aminohexanedioic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl B3G (1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC B3H (2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate +c1c(cc(c(c1C(=O)O)I)I)I B3I 2,3,5-triiodobenzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 B3J (1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(CCN)C[C@@H](CC(=O)O)N B3K (3s)-3,7-diaminoheptanoic acid +CC(C)C[C@@H](CC(=O)O)N B3L (3s)-3-amino-5-methylhexanoic acid +CSCC[C@@H](CC(=O)O)N B3M (3r)-3-amino-5-(methylsulfanyl)pentanoic acid +CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO B3N 4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide +C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 B3O (1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione +C(CNC(CO)(CO)CO)CNC(CO)(CO)CO B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol +C(CC(=O)N)[C@@H](CC(=O)O)N B3Q (3s)-3,6-diamino-6-oxohexanoic acid +c1cc(cc(c1)Br)O B3R 3-bromophenol +C([C@H](CO)N)C(=O)O B3S (3r)-3-amino-4-hydroxybutanoic acid +C[C@H]([C@@H](CC(=O)O)N)O B3T 3-amino-2,3,5-trideoxy-d-threo-pentonic acid +c1c([nH]c(n1)N)C[C@@H](C(=O)O)N B3U 2-amino-l-histidine +CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC B3V n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl B3W 4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide +C([C@@H](CC(=O)O)N)C(=O)N B3X (3s)-3,5-diamino-5-oxopentanoic acid +c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y (3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid +CCN(CC)CCNS(=O)(=O)c1ccccc1F B3Z n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide +C[C@@H](Cc1ccccc1)NC B40 (2s)-n-methyl-1-phenylpropan-2-amine +C[C@@H](Cc1ccc2c(c1)OCO2)NC B41 (2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine +CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C B42 n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 B43 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O B44 n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F B45 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one +C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4 B46 prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate +COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O B47 methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate +Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC B48 4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole +CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C B49 n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5 B4A 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4 B4C benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate +C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl B4D (3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3 B4E cyclical inhibitor od36 +c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O B4F biotin-4-fluorescein +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O B4G galactotriose +C=NC(=O)c1cccc(c1)[N+](=O)[O-] B4H n-methylidene-3-nitrobenzamide +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1 B4J 3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide +CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O B4K ~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide +CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C B4L 3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C(Br)(Br)Br B4M tris(bromanyl)methane +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] B4N bis(4-nitrophenyl) hydrogen phosphate +CC1=CC(=O)N(C(=C1)C2CCCCC2)O B4O 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B4P bis(adenosine)-5'-tetraphosphate +CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3 B4Q 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O B4R {4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N B4S 3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4T mono-pegylated sulfonatocalix[4]arene +Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C B4V 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide +c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4 B4W 2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4X di-pegylated sulfonatocalix[4]arene +CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B4Y (2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3 B4Z ~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide +CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4 B50 4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 B51 nickel/iron/sulfur cluster +C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O B52 (2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C1(=C(N=C(NC1=O)N)N)N=O B53 2,6-diamino-5-nitrosopyrimidin-4(3h)-one +c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O B54 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid +c12c([nH]c(n1)S)N=C(NC2=O)N B55 2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one +CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O B56 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid +C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-] B57 2,6-diamino-5-nitropyrimidin-4(3h)-one +c1[nH]c2c(n1)c(nnc2N)N B58 1h-imidazo[4,5-d]pyridazine-4,7-diamine +CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O B59 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde +c1c2c(ncnc2n(n1)CC3CCNCC3)N B5A 1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3 B5B 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole +CC(=O)Oc1ccc2c(c1)SC(=O)O2 B5C 2-oxo-2h-1,3-benzoxathiol-5-yl acetate +C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl B5D (3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3 B5E 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine +c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B5F biphenyl 2,3',4,5',6-pentakisphosphate +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B5G (2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide +c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2 B5H (5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione +C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 B5J methyltriphenylphosphonium +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O B5K 3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid +C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+] B5L n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium +Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5M 9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F B5N [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1 B5O (6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O B5P n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 B5Q [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B5R (2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3 B5S 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium +c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N B5T 4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide +Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C B5U 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5V 9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3 B5W (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1 B5X (6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5Y 9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 B5Z ~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide +CN1CC=NC2=C1N=C(NC2=O)N B60 2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one +CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O B61 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one +C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N B62 (6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N B63 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid +COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O B64 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid +c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O B65 (1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid +C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O B66 4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile +C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B67 (2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide +CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B68 (2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B69 tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate +c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4 B6A [2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone +COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N B6B [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone +Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl B6C 2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C B6D 2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose +c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F B6E ~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B6F [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron +CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N B6G (2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate +CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N B6H ~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O B6J 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol +c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B6K biphenyl 3,3',4,4',5,5'-hexakisphosphate +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O B6L 2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide +C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N B6M (1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside +c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F B6N 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one +CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6O 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B6P p1,p6-di(adenosine-5') hexaphosphate +CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N B6Q ~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6R 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc2c(cc1S(=O)(=O)O)scn2 B6S 1,3-benzothiazole-6-sulfonic acid +CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O B6T 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O B6U 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl B6W 2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide +CCCCCC[C@H](CC(=O)O)SCC(=O)O B6X (3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O B6Y (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N B6Z [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone +c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B70 tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate +CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B71 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium +Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O B72 {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid +CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B73 3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium +Cc1cccc(c1)CO B74 (3-methylphenyl)methanol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B75 1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O B76 [1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid) +Cc1ccc(c(c1)OCc2ccccn2)OC B77 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine +Cc1ccc(cc1OCc2ccncc2)OC B78 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine +CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5 B79 (8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7A 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) +CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N B7B 4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide +C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O B7C 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl B7D (3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5 B7E compound 28 +C(C(C(C(F)(F)F)(F)F)(F)F)O B7F 2,2,3,3,4,4,4-heptafluorobutan-1-ol +CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O B7G heptyl beta-d-glucopyranoside +Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N B7H 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile +c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4 B7I 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole) +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7J 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C B7K 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4 B7L 2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid +CCC\C=C/C=C/CCCCCCCCC=O B7M (10e,12z)-hexadeca-10,12-dienal +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC B7N (1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4 B7O ~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7P 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl B7Q 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1c(cc2c(c1O)C(=O)C=CO2)O B7S 5,7-dihydroxy-4h-1-benzopyran-4-one +Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC B7T (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine +C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2 B7U (2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide +COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N B7V 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4 B7W 3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O B7X (3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) +CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 B7Z 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O B80 n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol +CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O B82 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid +C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C B83 2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC B84 (2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide +c1ccc(cc1)CP(=O)(O)O B85 benzylphosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O B86 2'-deoxy-5-fluorocytidine +c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5 B87 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine +C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O B88 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid +CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O B89 (5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one +B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N B8B cobaltcarborane +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O B8C (~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO B8D 4-o-methyl-alpha-d-glucopyranose +Cc1c(nc(s1)c2ccccc2)CC(=O)OC B8E methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O B8F (5beta)-3-oxours-12-en-28-oic acid +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8H [(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7 B8J 1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8K 7-acetyl, guanosine-5'-monophosphate +CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC B8L 3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate +CCCCC\C=C/C=C/CCCCCCCO B8M (8e,10z)-hexadeca-8,10-dien-1-ol +CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8N (2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5 B8O 2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O B8P 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N B8Q 3-methyl, cytidine-5'-monophosphate +CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N B8R (2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8S n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8T 4-methyl, cytidine-5'-monophosphate +COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O B8V (2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8W 6-methyl, guanosine-5'-monophosphate +CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO B8X 2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8Y n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide +Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2 B90 n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine +Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F B91 3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4 B92 (3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5 B93 (3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl B94 (3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br B95 n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5 B96 1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea +Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C B97 (10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one +COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN B98 (3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N B99 (2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine +c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O B9A macrocyclic-bis-9-amino-acridine +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B9B 6-propyl, guanosine-5'-monophosphate +CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5 B9C n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide +C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O B9D 5-fluoro-alpha-l-idopyranose +C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2 B9F [(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron +CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N B9H 2'-methyl, 3-propyl, cytidine-5'-monophosphate +Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 B9K 4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO B9L n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide +CCCC#C\C=C\CCCCCCCCCO B9M (10e)-hexadec-10-en-12-yn-1-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O B9N (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC B9O n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 B9P 1-biotinylpyrene +C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5 B9Q ~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC B9R n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide +CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C B9S (2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F B9T ~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O B9U (2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide +CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F B9W 2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide +CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N B9X [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate +c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F B9Y 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one +COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O B9Z (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid +[Ba+2] BA barium ion +CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5 BA0 (7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O BA1 balanol +CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O BA2 5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N BA3 bis(adenosine)-5'-triphosphate +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O BA4 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +COC(=O)C1=C(c2cccnc2N(C1=O)O)N BA5 methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate +C(CC[C@@H](CO)O)CCO BA6 (2s)-heptane-1,2,7-triol +c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O BA7 [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate +c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl BA8 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol +CC(C)(O)O BA9 propane-2,2-diol +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C BAA (tert-butyloxycarbonyl)-alanyl-alanyl-amine +c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N BAB bis(5-amidino-benzimidazolyl)methane +c1cc(ccc1CNC=O)I BAC n-(4-iodo-benzyl)-formamide +CC(C)(C)C(=O)NC BAE n-methyltrimethylacetamide +C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C BAF (tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide +c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N BAG n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O BAH bis(5-amidino-2-benzimidazolyl)methane ketone hydrate +c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N BAI (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane +CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C BAJ 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N BAK bis(5-amidino-2-benzimidazolyl)methane ketone +C(CN)C(=O)O BAL beta-alanine +c1ccc(cc1)C(=[NH2+])N BAM benzamidine +C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO BAN honh-benzylmalonyl-l-alanylglycine-p-nitroanilide +c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N BAO bis(5-amidino-2-benzimidazolyl)methanone +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BAP 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene +C1CC(=O)NC1 BAQ pyrrolidin-2-one +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O BAR 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC[C@H](c1ccccc1)NC=O BAS n-(1-phenyl-propyl)-formamide +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC BAT 4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide +c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO BAU 1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C BAV (3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F BAW 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl BAX 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C BAY n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide +[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N BAZ bis(5-amidino-benzimidazolyl)methane zinc +CC(=O)c1ccc2cc(ccc2c1)N(C)C BB0 1-[6-(dimethylamino)naphthalen-2-yl]ethanone +CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C BB1 2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide +CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO BB2 actinonin +CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br BB3 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide +c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO BB4 2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide +C/C(=C(\C(=O)O)/N)/S BB6 (2z)-2-amino-3-sulfanylbut-2-enoic acid +COC/C(=C(\C(=O)O)/N)/S BB7 (2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O BB8 (2s,3s)-beta-hydroxy-phenylalanine +C(=C(\C(=O)O)/N)/S BB9 (2z)-2-amino-3-sulfanylprop-2-enoic acid +c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N BBA 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one +c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O BBB 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione +[H]/N=C(\CO)/C[S@@](=O)CCCCN BBC 3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol +Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N BBE n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide +c1(c(c(c(c(c1F)F)Br)F)F)F BBF 1-bromo-2,3,4,5,6-pentafluorobenzene +COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3 BBH 1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide +CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I BBI (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone +c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F BBJ n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O BBK 2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose +C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 BBL n-[(benzyloxy)carbonyl]-l-alanine +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O BBM 5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +B1(c2ccccc2C=NN1C(=O)N)O BBN 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4 BBO 2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl BBP (5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol +B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O BBQ cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C(C(=O)CBr)OP(=O)(O)O BBR (3-bromo-2-oxo-propoxy)phosphonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)O BBS 4-tert-butylbenzenesulfonic acid +c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO BBT 2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione +CCCCBr BBU 1-bromobutane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O BBV benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +Cc1ccc2c(c1)ncnc2N BBW 7-methylquinazolin-4-amine +CCBr BBX 1-bromoethane +Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3 BBY 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C BBZ 2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O BC benzo[g]chrysene +CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1 BC0 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine +CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O BC1 3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC BC2 macbecin +c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N BC3 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BC4 (3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N BC5 4'-aminobiphenyl-4-sulfonamide +C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C BC6 (4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1 BC7 2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone +C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O BC8 beta-citryl-l-glutamic acid +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C BC9 (1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O BCA 4-hydroxybenzoyl coenzyme a +C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C BCB bacteriochlorophyll b +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N BCC (3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O BCD beta-cyclodextrin +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O BCE (2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide +c1(c(c(c(c(c1F)F)Cl)F)F)F BCF 1-chloro-2,3,4,5,6-pentafluorobenzene +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O BCG 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid +CCCC(=O)SCC[N+](C)(C)C BCH 2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium +CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C BCJ (4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one +Cn1c(c(cn1)CO)c2ccccc2 BCK (1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol +CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BCL bacteriochlorophyll a +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O BCM bicyclomycin +C(CO)N(CCO)CC(=O)O BCN bicine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O BCO butyryl coenzyme a +c1[nH]c2c(n1)nc(nc2Cl)Br BCP 2-bromo-6-chloro-purine +CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 BCQ n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C BCR beta-carotene +c1ccc(cc1)CSC[C@@H](C(=O)O)N BCS benzylcysteine +C(=O)(O)[O-] BCT bicarbonate ion +c1ccc2c(c1)C[C@@H](CO2)CO BCU (3r)-3,4-dihydro-2h-chromen-3-ylmethanol +C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N BCV d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O BCW 6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-d-glucopyranose +C([C@H](CS)N)C(=O)O BCX (3r)-3-amino-4-sulfanylbutanoic acid +C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N BCY carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one +CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C BCZ 3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid +c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl BD0 (1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium +C1C=CC[C@@H]2[C@H]1OC(O2)O BD1 3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one +c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O BD2 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate +[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C BD3 nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide +Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C BD4 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4 BD5 n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5 BD6 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4 BD7 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD8 n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD9 n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O BDA 4-methylbenzyl-n-bis[daunomycin] +B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O BDB 4,4'-biphenyldiboronic acid +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C BDC bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide +C(CCCCCCBr)CCCCCO BDD bromo-dodecanol +c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br BDE n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide +C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O BDF beta-d-fructopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N BDG 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N BDH l-beta-aspartylhistidine +CCCCc1[nH]c2c(n1)C(=O)NNC2=O BDI 2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione +[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C BDJ (2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one +CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3 BDK 2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide +CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2 BDL n-(biphenyl-4-ylsulfonyl)-d-leucine +COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N BDM brodimoprim-4,6-dicarboxylate +c1ccc(cc1)C(=N)N BDN benzamidine +[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C BDO (2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O BDP beta-d-glucopyranuronic acid +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C BDQ 1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O BDR beta-d-ribofuranose +c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2 BDS 2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C BDT 5-beta-dihydrotestosterone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O BDU me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C BDV 1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5 BDW (4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3 BDX (2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one +c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl BDY n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O BDZ 6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-d-glucopyranose +C1CCN(CC1)S(=O)(=O)N BE0 piperidine-1-sulfonamide +CC(=O)N(CCOP(=O)(O)O)Br BE1 n-bromoacetyl-aminoethyl phosphate +c1ccc(c(c1)C(=O)O)N BE2 2-aminobenzoic acid +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O BE3 n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O BE4 (2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O BE5 (2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O BE6 (2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide +c1cc(ccc1C(=O)O)[Hg]Cl BE7 (4-carboxyphenyl)(chloro)mercury +B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O BE8 [(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid +c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2 BE9 phenyl n-sulfamoylmorpholine-4-carboximidoate +Cc1cccc2c1n3cn[nH+]c3s2 BEA 5-methyl-1,2,4-triazolo[3,4-b]benzothiazole +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEB n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4 BEC [5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O BED n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4 BEE n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +[Be-](F)(F)F BEF beryllium trifluoride ion +c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEG 2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide] +c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5 BEH 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide +CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2 BEI n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4 BEJ n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +COc1c(c(c(c(c1F)F)C(=O)N)F)F BEK 2,3,5,6-tetrafluoro-4-methoxy-benzamide +c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O BEL 2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide +[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O BEM beta-d-mannopyranuronic acid +[H]/N=C(\c1ccccc1)/N BEN benzamidine +CC=CC(=O)O BEO butenoic acid +CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3 BEP 1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] BEQ n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt +COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5 BER berberine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O BES 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid +C[N+](C)(C)CC(=O)O BET trimethyl glycine +CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N BEU n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide +C1CS/C(=N\S(=O)(=O)N)/N1 BEV n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide +c1cc[n+](c(c1)S)O BEW 1-hydroxy-2-sulfanylpyridinium +COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2 BEX n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide +c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O BEY (2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +c1ccc(cc1)C(=O)O BEZ benzoic acid +COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O BF0 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate +[Be](F)F BF2 beryllium difluoride +c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O BF3 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +[Be-2](F)(F)(F)F BF4 beryllium tetrafluoride ion +C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-] BF5 (3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate +c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O BF6 [(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1C[C@H](C(=O)O)N)Br BF7 4-bromo-d-phenylalanine +O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51 BF8 fe(4)-ni(1)-s(5) cluster with oxygen +C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O BF9 [(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br BFA 9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide +[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1 BFB n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide +CCCCCCCCCCC[C@H](CC=O)O BFC (r)-3-hydroxytetradecanal +[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F BFD aspartate beryllium trifluoride +c1ccc(cc1)C(=O)NCCS BFE n-(2-sulfanylethyl)benzamide +c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br BFF 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide +c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2 BFG 3,3-diphenyl-n-(2-sulfanylethyl)propanamide +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O BFH 1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br BFI 2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone +Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C BFK [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol +C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O BFL 2-(1,1'-biphenyl-4-yl)propanoic acid +C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O BFM 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O BFN 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O BFO benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O BFP beta fructose 1,6-diphosphate +CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O BFQ ibandronate +[H]/N=C(\NCCCC)/N=C(N)N BFR n-butyl-n'-(diaminomethylidene)guanidine +C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F BFS n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide +Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2 BFT s-benzoylthiamine o-monophosphate +CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F BFU 1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1 BFV n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +c1cc(oc1)CNC2=CC=NC(=O)N2 BFW 4-n-furfurylcytosine +c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl BFX 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br BFZ 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one +COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N BG0 (4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile +CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC BG1 o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O BG2 8-bromoguanosine +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O BG3 3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O BG4 5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO BG5 5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BG6 6-o-phosphono-beta-d-glucopyranose +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C BG7 n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide +c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O BG8 2-(benzoylamino)-2-deoxy-beta-d-glucopyranose +c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O BG9 (2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O BGC beta-d-glucopyranose +c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N BGD n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide +Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 BGE 4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N BGF 2,5-bis(4-guanylphenyl)furan +c1ccc(cc1)COC(=O)O BGG carbonic acid monobenzyl ester +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC BGH [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1 BGJ 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine +c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O BGK 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGL 2-o-octyl-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O BGM 8-bromo-2'-deoxyguanosine-5'-monophosphate +CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGN 2-(butanoylamino)-2-deoxy-beta-d-glucopyranose +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O BGO 3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BGP 6-o-phosphono-beta-d-galactopyranose +C(CO)[C@H](C[O])O BGQ 2-hydroxy butane-1,4-diol +[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O BGR [[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide +CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BGS (1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol +CC(C)(C)OC(=O)[C@H](CCC(=O)N)N BGT tert-butyl d-alpha-glutaminate +c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N BGU 2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 BGV (3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate +c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O BGW 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid +C[C@@H]1C=CN[C@H]1C(=O)O BGX 4-methyl-pyrroline-5-carboxylic acid +CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2 BGY tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O BGZ [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O BH0 3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile +CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BH1 bacteriopheophytin +[C@H]([C@H](C(=O)O)O)(C(=O)O)N BH2 (3r)-3-hydroxy-l-aspartic acid +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-] BH3 hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BH4 (6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-] BH5 hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +B(CNC(=O)c1ccccc1Cl)(O)O BH6 {[(2-chlorobenzoyl)amino]methyl}boronic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 BH7 e-amino biotinyl caproic acid +CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-] BH8 hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4 BH9 4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +c1cc(c(cc1N)O)C(=O)O BHA 2-hydroxy-4-aminobenzoic acid +CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N BHB 2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one +c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O BHC benzene hexacarboxylic acid +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N BHD (3s)-3-hydroxy-l-aspartic acid +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O BHE octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2 BHF 2-phenyl-4h-benzo[h]chromen-4-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O BHG hexyl beta-d-galactopyranoside +CCCCNC(=N)NO BHH n-butyl-n'-hydroxyguanidine +C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O BHI 4-bromo-3-hydroxy-3-methyl butyl diphosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1 BHJ {(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O BHK (2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid +C(CCCBr)CCO BHL 6-bromohexan-1-ol +C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O BHM (r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O BHN 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +c1ccc(cc1)C(=O)NO BHO benzhydroxamic acid +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3 BHP (s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid +CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O BHQ 2,5-ditert-butylbenzene-1,4-diol +c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O BHR 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid +C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BHS 6s-5,6,7,8-tetrahydrobiopterin +c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O BHT n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium +B(CNC(=O)[C@H](C)CS)(O)O BHU [[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C BHV tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O BHW coumermycin a1 +C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O BHX (2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid +C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C BHY n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide +c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O BHZ 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5 BI1 3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI2 3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI3 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI4 3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione +c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3 BI5 4-phenoxy-n-(pyridin-2-ylmethyl)benzamide +CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C BI6 (3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl BI7 3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI8 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl BI9 2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide +c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F BIA 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one +C[C@@H](CN)C(=O)[O-] BIB beta-amino isobutyrate +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N BIC 3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one +C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C BID bistramide a +c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O BIE (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N BIF (r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid +CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N BIG (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O BIH naphthalene-2,6-disulfonic acid +CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl BII 2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide +CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl BIJ 7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one +c1cc(cc2c1cc(c(c2)C(=O)O)O)O BIK 3,7-dihydroxy-2-naphthoic acid +CC[C@H](C)[C@@H](CC(=O)O)N BIL (3r,4s)-3-amino-4-methylhexanoic acid +CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O BIM bis-(indole)maleimide pyridinophane +CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C BIN 2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium +C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O BIO biopterin +c1ccc(cc1)C[C@@H](CI)C(=O)O BIP 2-benzyl-3-iodopropanoic acid +CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4 BIQ benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O BIR n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N BIS 1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester +Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BIT (-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one +C[C@@H](CCBr)[C@@H](C(=O)O)N BIU 5-bromo-l-isoleucine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O BIV 21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e) +c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O BIW 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid +C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O BIX (2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid +CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C BIY (3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C BIZ bizelesin +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O BJ1 (1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O BJ2 (2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2 BJ4 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN BJ5 desferrioxamine b +S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 BJ8 double cubane cluster +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N BJA (2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide +c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2 BJB 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid +CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O BJC (1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJD n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O BJE 2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil +CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O BJF {2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl BJG 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O BJH 1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O BJI 1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJJ n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine +COc1ccc(cc1O)C[NH3+] BJK (4-methoxy-3-oxidanyl-phenyl)methylazanium +CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O BJL n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine +C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N BJM (2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone +c1cc(cnc1)CC[NH3+] BJN 2-pyridin-3-ylethylazanium +C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O BJO (4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O BJP (1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid +COC(=O)[C@H](Cc1ccccc1)[NH3+] BJQ [(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium +C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N BJS 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide +COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C BJV n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8 BJW 4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid +CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 BJX repaglinide +CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1 BJY 5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium +CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl BJZ 6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid +CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N BK1 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N BK2 1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N BK3 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N BK4 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N BK5 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK6 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK7 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5 BK8 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine +CCOc1c2ccccc2ncn1 BK9 4-ethoxyquinazoline +CCCCC(=O)CC(=O)O BKA 3-oxoheptanoic acid +C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O BKC bongkrekic acid +CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1 BKD 1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one +COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4 BKE 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O BKF (1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate +c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl BKH (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br BKI 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1 BKJ 1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O BKK (2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O BKL (1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione +CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C BKM (2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CCOC(=O)CCCC(=O)C BKN ethyl 5-oxohexanoate +c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O BKO 1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N BKP 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)CCC(=O)C BKQ ethyl levulinate +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O BKR deacetyltaxol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl BKS 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O BKU (1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name) +c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br BKV 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O BKW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O BKX (1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) +c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O BKY 4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid +CC(=O)CCc1ccc(cc1)O BKZ 4-(4-hydroxyphenyl)butan-2-one +CN(C)c1nnc(s1)CS(=O)(=O)N BL0 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl BL1 4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide +CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C BL2 n-(tert-butoxycarbonyl)-l-leucine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL3 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BL4 (3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2 BL5 2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide +Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O BL6 (3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O BL7 (3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL8 3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLA biliverdine ix alpha +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O BLB bleomycin b2 +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O BLD brassinolide +B([C@H](CC(C)C)N)(O)O BLE leucine boronic acid +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl BLF 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BLG 4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine +c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N BLI 4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide +C[As](=O)(CC[C@@H](C(=O)O)N)O BLJ (2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N BLK [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate +c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BLL (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O BLM bleomycin a2 +CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2 BLN morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N BLO 1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O BLP (5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate +c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O BLQ (3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLR 3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N BLS blasticidin s +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O BLT 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C BLV biliverdin ix gamma chromophore +B([C@H](CCCC[NH3+])N)(O)O BLY lysine boronic acid +C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC BLZ 5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide +CCCCn1cc[n+](c1)C BM0 1-butyl-3-methyl-1h-imidazol-3-ium +Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3 BM1 (r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one +c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N BM2 s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O BM3 2-acetamido-2-deoxy-alpha-d-mannopyranose +CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O BM4 3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol +COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4 BM5 (r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester +CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C BM6 4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BM7 2-acetamido-2-deoxy-beta-d-mannopyranose +Cc1cc(ccc1N)c2nc3ccccc3s2 BM8 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3 BM9 [s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O BMA beta-d-mannopyranose +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC BMB (3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O BMC 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CCCC(=O)N BMD butyramide +C(CS)O BME beta-mercaptoethanol +CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C BMF bromosporine +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O BMG (4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate +C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O BMH 5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))- +Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5 BMI 3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one +CC[C@@H](C)CCCCCCCCCCC(=O)O BMJ (12r)-12-methyltetradecanoic acid +C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4 BMK (5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene +c1cc(ccc1O)Br BML 4-bromophenol +CBr BMM bromomethane +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O BMN (1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol +c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6 BMO n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O BMP 6-hydroxyuridine-5'-phosphate +C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O BMQ 1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O BMR ((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C BMS 4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid +C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O BMT 4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl BMU 1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea +c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5 BMV 3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6 BMW 3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O BMX 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O BMZ 2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine +Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N BN1 (s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid +c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl BN2 7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid +c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN3 4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid +Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C BN4 4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid +Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN5 5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O BN6 (2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid +CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BN7 2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O BNA bis-(naphthyl-1-methyl) acetic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C BNB n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide +CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C BNC 5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O BND methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N BNE 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile +c1ccc(cc1)CNC=O BNF n-benzylformamide +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BNG nonyl beta-d-glucopyranoside +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O BNH [(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-] BNI 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide +c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 BNJ n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl BNK 2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)c2ccccc2 BNL biphenyl +c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4 BNM n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N BNN acetyl-p-amidinophenylalanine +B([C@H](CCCC)N)(O)O BNO norleucine boronic acid +c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4 BNP (3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine +c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4 BNQ ~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C BNR bis-daunorubicin +c1ccc(cc1)S(=O)(=O)O BNS benzenesulfonic acid +CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br BNT 2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone +CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O BNU 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid +CC[C@H](C)CCCCCCCCCCC(=O)O BNV (12s)-12-methyltetradecanoic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C BNW udp-n-acetyl-muramic acid-4'phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O BNX 2-o-phosphono-beta-d-glucopyranose +Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O BNY 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid +c1ccccc1 BNZ benzene +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO BO0 (1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol +c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N BO1 n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O BO2 n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +B(O)(O)O BO3 boric acid +[B-](O)(O)(O)O BO4 borate ion +CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O BO5 (9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione +C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C BO6 3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole +COc1cccc(c1C(=O)O)OC BO7 2,6-dimethoxybenzoic acid +[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O BO8 (d-alpha-aminopimelylamino)-d-1-ethylboronic acid +B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O BO9 n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide +c1[nH]c2c(n1)nc(nc2O)Br BOA 2-bromo-6-hydroxy-purine +CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O BOB (s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid +CC(C)(C)OC(=O)O BOC tert-butyl hydrogen carbonate +COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N BOD 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3 BOE 2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate +Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C BOF (3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BOG octyl beta-d-glucopyranoside +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N BOH (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide +CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BOI [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3 BOJ 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)c2ccccc2I BOL 2-iodo-n-phenylbenzamide +CCC\C=C/C=C/CCCCCCCCCO BOM hexadeca-10,12-dien-1-ol +B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N BON n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide +COc1ccc(cc1)Br BOP 1-bromo-4-methoxybenzene +CCOC(=O)c1cc(oc1CN)C(C)(C)C BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate +B([C@H](CCCNC(=N)N)N)(O)O BOR (1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid +c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S BOS n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide +c1ccc2c(c1)ncs2 BOT benzothiazole +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C BOU (2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCCCCCCOS(=O)(=O)N BOW octyl sulfamate +c1ccc(cc1)C(=O)O BOX benzoic acid +Cc1ccc(cc1)[C@H](O)P(=O)(O)O BOY [(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid +c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N BOZ bis(5-amidino-benzimidazolyl)methanone zinc +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BP (-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C(CSCCc1nnc(s1)N)c2nnc(s2)N BP0 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine) +c1[nH]c2c(n1)ncnc2Br BP1 6-bromo-7h-purine +CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C BP2 (+)-bornyl diphosphate +c1ccc(c(c1)c2cccc(c2O)O)Cl BP3 2'-chloro-biphenyl-2,3-diol +c1ccc(cc1)c2ccc(cc2)CC(=O)O BP4 biphenyl-4-ylacetic acid +c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N BP5 3-(2,2'-bipyridin-5-yl)-l-alanine +c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl BP6 2',6'-dichloro-biphenyl-2,6-diol +c1ccc(cc1)c2ccc(c(c2)O)O BP7 1,1'-biphenyl-3,4-diol +C(CCc1nnc(s1)N)CCc2nnc(s2)N BP8 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine) +C(CCc1nnc(s1)N)Cc2nnc(s2)N BP9 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine) +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O BPA 7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPB bacteriopheophytin b +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BPC (7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol +c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F BPD n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid +C(CN)CSC[C@@H](CO)N BPE (2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol +CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N BPF n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium +c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 BPG 9-(4-hydroxybutyl)-n2-phenylguanine +CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPH bacteriopheophytin a +c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O BPI (1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O BPJ (1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO BPK {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol +CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5 BPL 1-benzo[a]pyren-6-yl-3-methyl-urea +c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O BPM 4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen +c1cc(ccc1CO)[N+](=O)[O-] BPN paranitrobenzyl alcohol +[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N BPO 3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide +[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N BPP 2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide +CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N BPQ tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate +B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O BPR (2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide +c1ccc(cc1)c2ccccc2[S@](=O)O BPS 1,1'-biphenyl-2-sulfinic acid +C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl BPT bis(trans-platinum ethylenediamine diamine chloro)complex +c1cc2n(c1)-c3ccc(cc3NC2=O)Br BPU 7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one +C(C(=O)C(=O)O)Br BPV bromopyruvate +c1cc(ccc1CCCN)Cl BPW 3-(4-chlorophenyl)propan-1-amine +c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O BPX (2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid +c1ccc(cc1)c2cccc(c2O)O BPY biphenyl-2,3-diol +c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O BPZ 4,4'-cyclohexane-1,1-diyldiphenol +Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6 BQ0 (3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O BQ1 bedaquiline +c1ccc2c(c1)CCN(C2)C(=O)CO BQ2 1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone +CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N BQ3 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate +c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O BQ4 (2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid +c1ccc(cc1)n2c3c(c(n2)CN)CCC3 BQ5 (1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine +Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N BQ6 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N BQ7 (3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C BQ8 (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC BQ9 (2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate +c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F BQA n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine +c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-] BQB 5-(4-nitrophenylazo)-3-iodosalicylic acid +c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5 BQC 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione +CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O BQD (3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide +CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N BQE (~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide +c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2 BQF 4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid +CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2 BQH (2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C BQJ 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O BQK (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O BQL [(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N BQM 3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline +c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 BQN 4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine +C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O BQO [(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F BQP 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N BQQ (2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC BQR n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6 BQS 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N BQT (2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide +c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N BQU 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid +CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2 BQV n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide +[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C BQW (2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N BQX 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea +COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O BQY 2-methoxyphenyl beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O BQZ galactinol +[Br-] BR bromide ion +c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-] BR0 (3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid +c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O BR1 (1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol +COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F BR2 2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide +Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-] BR3 (6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate +c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O BR4 6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid +CCOCC[P@H](=O)[O-] BR5 2-ethoxyethylphosphinate +[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N BR6 (e)-4-((4-bromophenylimino)methyl)benzimidamide +C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C BR7 bromomemantine +C1C(=O)NC(=O)NC1=O BR8 barbituric acid +c1c(cnc(c1N)N)Br BR9 5-bromopyridine-2,3-diamine +CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6 BRA 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine +c1cc(ccc1CO)Br BRB para-bromobenzyl alcohol +C(CCCCCC(=O)O)CCCCCBr BRC 12-bromododecanoic acid +C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O BRD 1-beta-ribofuranosyl-1,3-diazepinone +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O BRE 2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O BRF 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +c12c(nc([nH]1)Br)N=C(NC2=O)N BRG 8-bromoguanine +C(c1c(c(no1)O)Br)C(C(=O)O)N BRH (s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC BRI (o4)-methyl-2-deoxyfucose +C(CBr)O BRJ 2-bromoethanol +COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N BRK {(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3 BRL 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl) +C(C(=O)O)Br BRM 2-bromoacetyl group +c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N BRN berenil +[Br-] BRO bromo group +C=C(CO)Br BRP 2-bromo-2-propene-1-ol +c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N BRQ {[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone +CCCC[C@H](CN(C=O)O)C(=O)O BRR (2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid +C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-] BRS 2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol +c1c(cncc1Br)C(=O)N BRT 5-bromonicotinamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O BRU 5-bromo-2'-deoxyuridine-5'-monophosphate +c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O BRV 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid +c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2 BRW 6-bromoindirubin-3'-oxime +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-] BRX bromamphenicol +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2 BRY (2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate +CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O BRZ 6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one +c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4 BS0 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one +C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C BS1 (3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane +c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6 BS2 (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane +[Bi+3] BS3 bismuth(iii) ion +c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N BS4 n-[(4-aminophenyl)sulfonyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BS5 5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C BS6 2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide +c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O BS7 8-hydroxyquinoline beta-galactopyranoside +c1cncc(c1c2ccnc3c2[nH]c(n3)N)F BS8 7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine +c1ccc(cc1)C(=O)NCCS(=O)(=O)O BSA 2-(benzoylamino)ethanesulfonic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N BSB n-benzyl-4-sulfamoyl-benzamide +CCCCS(=N)(=O)CC[C@@H](C(=O)O)N BSC (2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O BSD n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C([C@@H](CO)C(=O)O)N BSE beta-3-serine +B(CNS(=O)(=O)Cc1ccccc1)(O)O BSF {[(benzylsulfonyl)amino]methyl}boronic acid +B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O BSG 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O BSH 3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O BSI 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O BSJ (3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC BSM 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2 BSO biotin-d-sulfoxide +c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O BSP 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion +CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N BST 6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid +c1ccc(cc1)NC(=O)Nc2ccccc2 BSU 1,3-diphenylurea +Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2 BSV (2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1c[nH]c2c1c(ccn2)c3ccncc3F BSW 4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(c(c1)CCN)F BSX 2-(2-fluorophenyl)ethanamine +O[Se](=O)[O-] BSY biselenite ion +COc1ccc(cc1Cl)S(=O)(=O)O BSZ 3-chloro-4-methoxybenzenesulfonic acid +CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC BT0 2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6 BT1 {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6 BT2 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene +c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6 BT3 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BT5 biotinyl-5-amp +c1ccc(cc1)S BT6 benzenethiol +CCC(CC)n1cc(cn1)[C@@H](C(F)F)O BT7 (1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol +CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole +c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O BT9 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid +CCC[C@@H](C(=O)O)N BTA 4-demethyl-leucine +C(CO)N(CCO)C(CO)(CO)CO BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H](C(=O)O)N)S BTC cysteine +c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br BTD 5-bromothienyldeoxyuridine +c1cc(c2c(c1)nsn2)N BTE 2,1,3-benzothiadiazol-4-amine +CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 BTF iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O BTG ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside +CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4 BTH 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2 BTI 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal +C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O BTJ n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide +CCCC(=O)NCCCC[C@@H](C(=O)O)N BTK n~6~-butanoyl-l-lysine +C[N+](C)(C)CC=O BTL betaine aldehyde +CC[N+](CC)(CC)Cc1ccccc1 BTM n-benzyl-n,n-diethylethanaminium +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 BTN biotin +c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O BTO 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid +c1ccc(cc1)C[C@H](CS)C(=O)O BTP 2-thiomethyl-3-phenylpropanoic acid +C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2 BTQ epi-biotin +c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N BTR 6-bromo-tryptophan +c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O BTS 3-(2-benzothiazolylthio)-1-propanesulfonic acid +c1c(c(cc(c1O)O)O)O BTT benzene-1,2,4,5-tetrol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O BTU 3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose +c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O BTV 4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid +C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S BTW (2s,3r)-2-benzyl-3-sulfanylbutanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BTX ((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate +Cc1cc2n(n1)C(=NC(=O)N2)N BTY 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one +[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2 BTZ n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide +C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O BU0 6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide +C(CCO)CO BU1 1,4-butanediol +C[C@@H](CCO)O BU2 1,3-butanediol +C[C@H]([C@@H](C)O)O BU3 (r,r)-2,3-butanediol +C[C@H](CCO)O BU4 (3r)-butane-1,3-diol +c1c[nH]c2c1c(ccn2)c3nc(cs3)CO BU5 [2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol +c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F BU6 5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide +CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S BU7 (5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc2c(nc1)nc([nH]2)N BU8 1~{h}-imidazo[4,5-b]pyridin-2-amine +C[C@H]([C@H](C)O)O BU9 meso-2,3-butanediol +CCCC(=O)O BUA butanoic acid +B(CCCC)(O)O BUB 1-butane boronic acid +CCCCSSC[C@@H](C(=O)O)N BUC s,s-butylthiocysteine +C[C@@H]([C@H](C)O)O BUD (2s,3s)-butane-2,3-diol +CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C BUE nerylneryl pyrophosphate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O BUF bufalin +CC(C)(C)[C@@H](C(=O)O)N BUG 3-methyl-l-valine +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F BUH ~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide +CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUI (3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate +CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUJ (3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br BUK n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BUL bulgecin a +CC(C)(C)[C@@H](C(=O)NC)N BUM 2-amino-n,3,3-trimethylbutanamide +c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O BUN (2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one +CC(=O)C(=O)C BUO butane-2,3-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br BUP 5-bromouridine 5'-(tetrahydrogen triphosphate) +CC(=O)CCO BUQ 4-hydroxy-2-butanone +CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BUR 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea +CCCC BUT butyl group +c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-] BUU (2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid +c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUV 4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid +CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3 BUW r-ethopropazine +c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione +c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUY 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O BV0 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-] BV1 [3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N BV2 1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV3 1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV4 1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane +c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2 BV5 3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O BV6 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol +C1CNCCC1CCC(=O)O BV7 3-(4-piperidyl)propanoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7 BV8 3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid +Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N BV9 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide +c1ccc(cc1)C2=O[V](ON2)(O)(O)O BVA trihydroxy[(n-hydroxybenzamidato)oxo]vanadate +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br BVB 5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol +c1cscc1CN BVC 1-thien-3-ylmethanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O BVD 5-bromovinyldeoxyuridine +c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5 BVE 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide +Cc1ccnc(c1)N BVF 4-methylpyridin-2-amine +c1cnc([nH]1)CO BVG 1h-imidazol-2-ylmethanol +C=C[C@H]1CC[C@H]([C@@H](C1)O)O BVH (1r,2r,4s)-4-ethenylcyclohexane-1,2-diol +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5 BVI 8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine +COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5 BVJ methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate +c1cc(ccc1CC(=O)O)CN BVK 2-[4-(aminomethyl)phenyl]ethanoic acid +CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C BVL (2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one +CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl BVM 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-] BVN 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O BVO 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O BVP (e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate +CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N BVQ norpseudo-b12 +B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O BVR [4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron +Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O BVS (2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8 BVT 3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid +c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F BVU 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N BVV amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium +CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C BVX 3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 BVY (3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O BVZ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide +CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BW0 [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N BW1 ~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N BW2 n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid +CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BW3 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C BW4 methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate +C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N BW5 (2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C BW6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one +CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4 BW7 (2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol +CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O BW8 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C BW9 chromium protoporphyrin ix +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 BWA n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea +C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O BWB (2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid +Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F BWC 5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br BWD 2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C BWE (2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O BWF (2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BWG n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O BWH albicidin +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N BWI 1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile +c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O BWJ {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) +Cn1c([nH+]nn1)CC(=O)N[NH3+] BWK [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O BWL (2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +Cc1nnc(n1c2ccccc2CNC(=O)C)C BWM n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O BWO (2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BWP (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C BWQ ~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate +c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N BWR ~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide +C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N BWS l-gamma-glutamyl-l-alanylglycine +c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+] BWT [[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1 BWU tetraphenylporphycene contating cobalt +[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N BWV n~5~-(n-butylcarbamimidoyl)-l-ornithine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F BWW 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid +C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O BWX (2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid +CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C BWY 10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine +c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2 BWZ [[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N BX1 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 BX2 (5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O BX3 (+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid +c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N BX4 3'-aminobiphenyl-4-sulfonamide +C(Cc1n[nH]nn1)CC(=O)N[NH3+] BX5 [4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium +B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O BX6 [(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I BX7 n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide +B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BX9 [(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +C(C(=O)O)Br BXA bromoacetic acid +c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl BXB n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O BXC (3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside +CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C BXD (3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C(CC(=O)N[NH3+])c1n[nH]nn1 BXE [3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O BXF 2-deoxy-2-fluoro-beta-d-xylopyranose +COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-] BXG 2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide +CCOC(=O)Cc1n[nH]nn1 BXH ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate +CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O BXI 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6 BXJ n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide +CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O BXK (2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N BXL (3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C BXM 4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide +Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl BXN 4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CCC\C=N/O BXO (1z)-butanal oxime +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O BXP 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O BXQ (3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +c1cc(c(cc1Cl)CCN)n2cnnn2 BXR 2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine +c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2 BXS (2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid +CCN(C)C(=O)OC[C@@H](C(=O)O)N BXT (2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid +B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BXU [(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BXV 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid +c1cc2c(cc1C(=O)O)SCC(=O)N2 BXW 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O BXX beta-d-arabinofuranose +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O BXY alpha-d-arabinofuranose +c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br BXZ 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol +B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O BY0 [(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid +Cc1ccc(cc1)S(=O)(=O)/C=C/C#N BY1 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile +CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O BY2 [3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate +Cc1cccc2c1[C@H](C(=O)N2)N BY4 (3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one +c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F BY5 (~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O BY6 [(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C BY7 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O BY8 (3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O BY9 12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione +c1ccc(cc1)C(=O)NCCC(=O)O BYA n-(phenylcarbonyl)-beta-alanine +c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F BYB (2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O BYC benzoyl coenzyme a +c1cc(ccc1C(=O)NO)C(=O)NO BYD n,n'-dihydroxybenzene-1,4-dicarboxamide +C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F BYE 1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] BYG l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine +CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3 BYH 1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione +Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC BYJ 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine +C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 BYK [(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl BYL (3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol +c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F BYM (5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C BYN hydroxylated prenyl-fmn +C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 BYO (3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione +CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BYP (2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O BYR 3-bromo-l-tyrosine +c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O BYS 2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 BYT biocytin +Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C BYU n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC BYV 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile +c1cc(ccc1CC(=O)NO)CC(=O)NO BYX 2,2'-(1,4-phenylene)bis(n-hydroxyacetamide) +C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2 BYY 5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid +c1c(cn[nH]1)Br BYZ 4-bromo-1h-pyrazole +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N BZ0 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide +CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC BZ1 (+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1ccc2c(c1)cc(o2)C(=O)O BZ2 1-benzofuran-2-carboxylic acid +COc1ccc2c(c1)cc[nH]2 BZ3 5-methoxy-1h-indole +c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2 BZ4 n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide +c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O BZ5 (1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4 BZ6 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole +CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3 BZ7 n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide +CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl BZ8 4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5 BZ9 n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine +c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1 BZA 1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol +B(c1cc2ccccc2s1)(O)O BZB benzo[b]thiophene-2-boronic acid +COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N BZC 2-(3'-methoxyphenyl) benzimidazole-4-carboxamide +c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BZD n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2nc(nc(n2)N)N BZE 6-phenyl-1,3,5-triazine-2,4-diamine +c1ccc2c(c1)cco2 BZF benzofuran +c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O BZG 6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N BZH 5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid +c1ccc2c(c1)[nH]cn2 BZI benzimidazole +c1ccc2cc(c(cc2c1)C(=O)O)O BZJ 3-hydroxynaphthalene-2-carboxylic acid +CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O BZK (2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid +c1ccc(cc1)COC(=O)c2ccccc2 BZM benzoic acid phenylmethylester +CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3 BZN n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide +c1ccc(cc1)COC=O BZO carbobenzoxy group +C1CN(CCN1)C(=O)O BZP n1-carboxypiperazine +c1ccc(cc1)C(=O)c2ccccc2 BZQ diphenylmethanone +c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1 BZR 1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O BZS l-benzylsuccinic acid +c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6 BZT 3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC BZU (4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide +CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N BZW 4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc2c(cc1O)OCO2 BZX 1,3-benzodioxol-5-ol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N BZY (2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide +c1ccc(cc1)CNN BZZ benzylhydrazine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C cytidine-5'-monophosphate +Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4 C00 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C C01 (2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate +Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4 C02 4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine +Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC C03 (2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid +C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C04 (6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3 C05 (2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide +C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O C06 [[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O C07 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one +[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F C08 difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron +CCOCc1[nH]c2c3ccccc3nc(c2n1)N C09 2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine +CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C C0A 3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O C0D (2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F C0E 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O C0F (4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O C0G (2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide +c1ccc(c(c1)Nc2ncnc(n2)N)Cl C0H ~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +c1ccnc(c1)CCNc2cccc(c2C#N)F C0J 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O C0K {(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid +C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O C0L methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate +c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N C0M n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide +C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N C0O (~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid +c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl C0P 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine +CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O C0Q anilinopyrimidine ligand +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O C0R corticosterone +c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F C0S 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO C0T calicheamicin t0 +c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O C0V (2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S C0W (~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid +CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C C0X (2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 C0Y (3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone +CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl C0Z 6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +CCCCCCCCCCOCCOCCOCCOCCOCCOCCO C10 hexaethylene glycol monodecyl ether +CCCCCCCCCCC[P@H](=O)OCCCC C11 undecyl-phosphinic acid butyl ester +C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O C12 2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate +c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl C13 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea +CCCCCCCCCCCCCC C14 tetradecane +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O C15 n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N C16 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile +c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O C17 7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde +CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl C18 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one +CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N C19 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one +[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N C1A (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate) +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N C1B (2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid +c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O C1C 1,1'-binaphthalene-2,2'-dicarboxylic acid +CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O C1D 1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl C1E (2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C C1F 3-carboxy-4-methyl-5-propyl-2-furanpropionic +C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN C1G n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide +c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-] C1H 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate +C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O C1I cortistatin a +[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N C1J n~5~-(n-octylcarbamimidoyl)-l-ornithine +C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO C1K (1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC C1L 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline +c1cc(ccc1n2cnnn2)Cl C1M 1-(4-chlorophenyl)-1h-tetrazole +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 C1N n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide +O=[Cu] C1O cu-o linkage +CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3 C1P n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O C1Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide +C1CNCCC1CCCC=O C1R 4-piperidinebutyrate +C=CCSSC[C@@H](C(=O)O)N C1S 3-(prop-2-en-1-yldisulfanyl)-l-alanine +CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O C1T s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine +C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C1U 2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile +c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F C1W 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O C1X (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine +CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N C1Y (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N C1Z guanosine 3'-diphosphate 5'-triphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C C20 acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl +c1cc(sc1)C(=O)O C21 thiophene-2-carboxylic acid +C([C@@H](C(=O)O)N)Cl C22 3-chloro-l-alanine +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4 C23 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one +CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N C24 3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C25 cytidine-5'-monophosphate +CCCC[C@@H](CC)COS(=O)(=O)O C26 (2r)-2-ethyl-1-hexanesulfonic acid +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC C27 (6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F C28 n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide +CN1CCOc2c1ccc(c2)C(=O)O C29 4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid +c1cc(cc(c1)Cl)CN C2A 1-(3-chlorophenyl)methanamine +c1cc(ccc1CN)Cl C2B 1-(4-chlorophenyl)methanamine +Cl([Cu])[Cu] C2C cu-cl-cu linkage +c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl C2D 6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N C2E 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one) +C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O C2F 5-methyl-5,6,7,8-tetrahydrofolic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O C2G [cytidine-5'-phosphate] glycerylphosphoric acid ester +C#C C2H acetylene +c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O C2I 9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one +c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O C2J n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide +c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl C2K (3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O C2L 5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate +Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl C2M 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine +C([C@H](C(=O)O)N)Cl C2N 3-chloro-d-alanine +O([Cu])[Cu] C2O cu-o-cu linkage +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O C2P cytidine-2'-monophosphate +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O C2Q [(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O C2R 5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O C2S cytidine-5'-dithiophosphorate +CC[N+](C)(C)NCCC(=O)O C2T 3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid +c1c(cc(c(c1C(=O)O)O)Cl)Cl C2U 3,5-dichloro-2-hydroxybenzoic acid +CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4 C2V n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide +COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N C2W (3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N C2X 9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one) +COC(=O)c1c[nH]c2c1cccc2 C2Y methyl 1h-indole-3-carboxylate +c1cc(oc1c2cc(on2)O)P(=O)(O)O C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C C30 2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN C31 2'-o-3-aminopropyl cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O C32 5-bromo-2'-deoxy-cytidine-5'-monophosphate +CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C33 2alpha-propyl-1alpha,25-dihydroxyvitamin d3 +CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C34 n4-methyl-2'-deoxy-cytidine-5'-monophosphate +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C C35 n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide +C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O C36 5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O C37 5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O C38 5-iodo-2'-deoxy-cytidine-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O C39 n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4 C3A allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C3B 4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one +c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O C3D (5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol +c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N C3E (3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O C3F 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C3G 4-nitrophenyl beta-d-glucopyranosiduronic acid +CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N C3H 2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid +CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F C3J 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide +CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3 C3K (3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide +C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C3L 2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N C3M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide +CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C3O 2alpha-propoxy-1alpha,25-dihydroxyvitamin d3 +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O C3P cytidine-3'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4 C3Q n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide +C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C C3R carolacton +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C C3S cholest-5-en-3-yl hydrogen sulfate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC C3T (3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide +Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C C3V 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one +CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O C3W 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid +C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C3X (2r)-oxiran-2-ylmethyl beta-d-xylopyranoside +C[C@](NO)(O)SC[C@@H](C(=O)O)N C3Y s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine +c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 C3Z 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O C40 n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N C41 aliskiren +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N C42 3'-amino-2'-deoxy-cytidine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C43 2'-o-methyoxyethyl-cytidine-5'-monophosphate +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O C44 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C45 n4-methoxy-2'-deoxy-cytidine-5'-monophosphate +C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O C46 6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O C47 methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate +CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 C48 n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide +[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F C49 4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate +CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3 C4A ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O C4B 1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione +CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2 C4C n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine +CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C C4D 4,4'-diaponeurosporene +c1ccc(cc1)Nc2c[nH]c3c2cccn3 C4E n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine +COc1cccc(c1)Cc2c[nH]c3c2cccn3 C4F 3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN C4G n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS C4H n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide +CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O C4J (5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5 C4K ~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCC(=O)N[C@@H](CCO)C(=O)O C4L n-butanoyl-l-homoserine +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC C4M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl C4N ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3 C4P n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide +c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3 C4Q 4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline +C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N C4R (r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium +C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C4S 2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate) +CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4 C4T ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O C4V (1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O C4W 1-azido-beta-n-acetyl-d-glucosamine +C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C4X 3,4-epoxybutyl-beta-d-xyloside +c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N C4Y 1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O C4Z (2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C C50 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N C51 (2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide +CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N C52 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one +[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1 C53 2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one +C1C[C@H](C=C1)C(=O)O C54 (1r)-cyclopent-2-ene-1-carboxylic acid +CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C56 4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C57 4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N C58 (2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine +C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N C5A (1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid +C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N C5B (1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid +C1CCC(C1)SSC[C@@H](C(=O)O)N C5C s-cyclopentyl thiocysteine +CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C C5D (1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol +C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 C5E (1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl C5F 2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O C5G [cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester +C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O C5H (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid +c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N C5I 3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile +C(=O)(N)NC(=O)N C5J dicarbonimidic diamide +C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O C5K (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC C5L 2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate) +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC C5M n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC C5N ~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C5P cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4 C5Q 5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid +CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C C5R (2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid +C([C@H](C(=O)O)NC=O)C(=O)O C5S n-formyl-d-aspartic acid +CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC C5U dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5 C5V (1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O C5W 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid +C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C5X 3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside +CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O C5Y 5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC C5Z methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate +CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C C60 [[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O C61 (2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide +c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N C62 4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC C63 (2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate +c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4 C64 n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO C65 (2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide +C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O C66 2-aminoethyllysine-carbonylmethylene-cytosine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O C67 n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine +CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O C68 (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid +COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br C69 (2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O C6A n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide +C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O C6B [(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +C1CCC(CC1)SSC[C@@H](C(=O)O)N C6C s-cyclohexyl thiocysteine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO C6D n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5 C6F 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N C6G 6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl C6H 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one +C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6J [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl C6K 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one +CCCCCC(=O)N[C@@H](CCO)C(=O)O C6L n-hexanoyl-l-homoserine +CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6M [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid +C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O C6N 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C C6O 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O C6P n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O C6Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide +C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C6R n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O C6S (3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O C6T 2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine +C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl C6U n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide +CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F C6V lsz102 +C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1 C6W 3-cyclohexyl-1-propylphosphocholine +CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N C6X 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide +c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S C6Z 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol +c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F C7 n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide +c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl C70 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide +C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN C71 n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide +c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl C72 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl C73 2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1 C75 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O C76 2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C C77 5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine +c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N C78 [1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester +CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N C79 (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl C7A n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide +c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl C7B 2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide +c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl C7C 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N C7G [(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 C7H 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N C7J (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O C7K 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N C7L (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O C7M (2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium +CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1 C7N 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol +C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7O n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl C7P cis-diammine(pyridine)chloroplatinum(ii) +[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2 C7Q (3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7R 2'-deoxy-5'-o-thiophosphonocytidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7S 2'-deoxy-5'-o-thiophosphonocytidine +c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl C7T (3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7U (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F C7V 4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7W (3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7X n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5 C7Y n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C C7Z (1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol +CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O C80 (2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate +Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F C81 (4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one +c1cc(ccc1Nc2cnn[nH]2)Cl C82 ~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F C83 n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O C84 [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid +[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1 C85 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF C86 n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N C87 momelotinib +Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N C88 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C C89 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one +c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O C8A {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) +CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-] C8B (3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione +c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N C8C 2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one +B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-] C8D n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide +CCCCCCCCOCCOCCOCCOCCO C8E (hydroxyethyloxy)tri(ethyloxy)octane +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O C8F 8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide +CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl C8G 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one +CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4 C8H (3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione +c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O C8J (2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2 C8K ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O C8L cucurbit[8]uril +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N C8M 3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e +C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8N [(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN C8O 2-(2-azanylethylamino)-5-nitro-benzoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O C8P n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide +COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8Q (3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O C8R 8-amino-n1-cyclic inosine 5'-diphosphoribose +C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N C8S (2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one +CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC C8U methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O C8V (2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N C8W 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid +c1cc(ccc1C(=O)OCCO)C(=O)OCCO C8X bis(2-hydroxyethyl) benzene-1,4-dicarboxylate +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N C8Y (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile +c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4 C8Z 4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O C90 n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide +c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5 C91 n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide +Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3 C92 n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide +c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O C93 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1 C94 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1 C95 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid +[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1 C96 4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide +c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN C97 n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O C98 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid +C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O C99 {(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl C9A 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate +c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4 C9B (3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine +c1cc(ccc1C(=O)O)C(=O)OCCO C9C 4-(2-hydroxyethyloxycarbonyl)benzoic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2 C9D (2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +CCOC(=O)c1ccnc2c1cc[nH]2 C9E ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate +CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC C9F [(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O C9G 2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +CCCCCSc1[nH]ncn1 C9H 5-(pentylsulfanyl)-1h-1,2,4-triazole +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O C9J 2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +C[C@@H](CNCCO)N C9K 2-[[(2~{s})-2-azanylpropyl]amino]ethanol +CCc1c(nc(nc1N2CCCCC2)N)NC C9L 5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +COC/C=C/c1ccc(c(c1)OC)O C9M 2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol +C[C@@H](CN(C)CCO)N C9N 2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F C9O ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide +B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O C9P 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl C9Q 4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F C9R ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide +CCCCCC[C@@H](C)C(=O)O C9T (2~{r})-2-methyloctanoic acid +CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5 C9U 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F C9V [(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron +Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N C9W 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5 C9X 2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate +c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O C9Y {2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC C9Z (9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +[Ca+2] CA calcium ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N CA0 5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine +CCC(=O)OCC CA1 ethyl propionate +c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O CA2 (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O CA3 coa-s-trimethylene-acetyl-tryptamine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C CA4 cyproterone acetate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O CA5 coa-s-acetyl 5-bromotryptamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O CA6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CA7 7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O CA8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate +C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O CA9 (1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol +CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAA acetoacetyl-coenzyme a +C([C@@H](C(=O)O)N)C(C=O)(O)O CAB 4,4-dihydroxy-5-oxo-l-norvaline +C[As](=O)(C)[O-] CAC cacodylate ion +C[As](=O)(C)O CAD cacodylic acid +CC1(C2CCC1(CC2)C)C CAE camphane +C[As](=O)(C)SC[C@@H](C(=O)O)N CAF s-dimethylarsinoyl-cysteine +C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O CAG guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester] +CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C CAH 5-exo-hydroxycamphor +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O CAI carbomycin a +CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAJ ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O CAK [(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CAL 5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid +CC1([C@@H]2CC[C@]1(C(=O)C2)C)C CAM camphor +C(CON)[C@@H](C(=O)O)N CAN canaline +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O CAO oxidized coenzyme a +C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O CAP 2-carboxyarabinitol-1,5-diphosphate +c1ccc(c(c1)O)O CAQ catechol +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O CAR cytosine arabinose-5'-phosphate +C[As](C)SC[C@@H](C(=O)O)N CAS s-(dimethylarsenic)cysteine +CCCCCCCCCCCC[N+](C)(C)C CAT dodecane-trimethylamine +CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O CAU (2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol +CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O CAV 5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid +c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CAW n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide +C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O CAX (2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone +C([C@@H](C(=O)O)N)SCC(=O)O CAY carboxymethylenecysteine +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O CAZ acylated ceftazidime +C(=C\Br)\Br CB0 cis-dibromoethene +c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N CB1 5-(aziridin-1-yl)-2,4-dinitrobenzamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CB2 phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O CB3 10-propargyl-5,8-dideazafolic acid +B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O CB4 pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate +[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153 CB5 cobalt bis(1,2-dicarbollide) +Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O CB6 (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid +c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5 CB7 (1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate +c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4 CB8 (1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C CB9 (2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O CBA n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate +[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N CBB 1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester +c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl CBC n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O CBD cibacron blue +CC1=C(SCCO1)C(=O)Nc2ccccc2 CBE 2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O CBF (2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide +CCC=O CBG propanal +C(CCSCC[C@@H](C(=O)O)N)CC(=O)O CBH s-(d-carboxybutyl)-l-homocysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBI cellobiose +c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CBJ 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBK 4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose +c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl CBL chlorambucil +CC(=O)O CBM carboxymethyl group +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O CBN clorobiocin +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBO carbenoxolone +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO CBP 2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide +c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O CBQ [(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O CBR 5-bromo-2'-deoxy-cytidine-5'-monophosphate +c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl CBT n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine +C1(C(C(C(C(C1O)O)O)O)O)O CBU (1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CBV 5-bromocytidine 5'-(dihydrogen phosphate) +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBW (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid +C(=O)O CBX carboxy group +CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O CBY cob(ii)inamide +c1ccc(cc1)COC=O CBZ carbobenzoxy group +C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C CC0 (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N CC1 {4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid +Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one +c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F CC3 n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide +C=C(C[SeH])C(=O)O CC4 2-(selanylmethyl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N CC5 beta-d-erythrofuranosyl-adenosine +c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O CC6 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O CC7 4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one +C[C@H](CS)C(=O)O CC8 (2s)-2-methyl-3-sulfanylpropanoic acid +COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O CC9 curcumin +C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC CCA 2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester +C1CCC(C1)N(C=O)C2CCC2 CCB cyclobutyl(cyclopentyl)formamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O CCC cytidine-5'-phosphate-2',3'-cyclic phosphate +C[C@H](CCC[N+](C)(C)C)O CCD (4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium +C[N+](C)(C)CCOC(=O)N CCE 2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C CCH [7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron +CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O CCI calicheamicin gamma-1-oligosaccharide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O CCK [1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid +C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N CCL n~6~-[(cyclopentyloxy)carbonyl]-d-lysine +CC1(CCCC1)C(=O)O CCM 1-methyl-1-carboxy-cyclopentane +CC#N CCN acetonitrile +c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O CCO carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol +CCCCP(=O)(O)O CCP butylphosphonate +CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O CCQ l-carnitinyl-coa inner salt +Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC CCR [n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine +C([C@@H](C(=O)O)N)SCC(=O)O CCS carboxymethylated cysteine +Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N CCT 5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +C(=C/C(=O)O)/C=C\C(=O)O CCU (2z,4z)-hexa-2,4-dienedioic acid +CC1=C(NC(=O)NC1=O)CC(CO)CO CCV 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione +CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N CCW (s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid +c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N CCX 3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide +c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O CCY 2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one +[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N CCZ phenyl (4-carbamimidoylbenzyl)phosphonate +[Cd+2] CD cadmium ion +CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O CD0 2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol +[OH2][Cd+2] CD1 cadmium ion, 1 water coordinated +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid +[OH2][Cd+2]([OH2])[OH2] CD3 cadmium ion, 3 waters coordinated +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC CD4 (2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate +[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2] CD5 cadmium ion, 5 waters coordinated +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2 CD6 (2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O CD7 (2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2 CD8 (2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4 CD9 5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F CDA 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide +Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C CDB 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide +C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O CDC [2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium +c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F CDD 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide +CC(C)[C@@H](C)N CDE 1,2-dimethyl-propylamine +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDF 4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O CDG methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside +CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N CDH d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline +C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO CDI 2c-methyl-d-erythritol 2,4-cyclodiphosphate +c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl CDJ 5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one +CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC CDK 4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC CDL cardiolipin +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O CDM 4-diphosphocytidyl-2-c-methyl-d-erythritol +CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O CDN cardiolipin +[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N CDO 2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDP cytidine-5'-diphosphate +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CDQ 6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR (2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol +Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O CDS (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CSCC[C@H](C(=O)O)NC(=O)N CDT 4-methylsulfanyl-2-ureido-butyric acid +CCCCCCCCCCNC(=O)NC1CCCCC1 CDU n-cyclohexyl-n'-decylurea +CC(C)[C@H](C(=O)O)NC(=O)N CDV 3-methyl-2-ureido-butyric acid +C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O CDW (4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one +C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 CDX (s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione +c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N CDY 2-chlorodideoxyadenosine +CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O CDZ 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one +[Ce+3] CE cerium (iii) ion +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O CE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO CE1 o-dodecanyl octaethylene glycol +CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+] CE2 3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O CE3 (6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O CE4 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CE5 cellopentaose +C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CE6 cellohexaose +C([C@@H](C(O)(O)O)N)C(=O)N CE7 (3s)-3-amino-4,4,4-trihydroxybutanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O CE8 cellooctaose +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CE9 dodecyl nona ethylene glycol ether +C([C@@H](C(=O)O)N)SO CEA s-hydroxy-cysteine +CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CEB 2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine +C(CCl)NC=O CEC chloroethylcarbamoyl group +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CED 5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)CCCl CEE (2-chloroethyl)benzene +CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O CEF cefotaxime, c3' cleaved, open, bound form +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O CEG 4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C CEH 5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O CEI n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide +C1CC(=O)CC1=O CEJ cyclopentane-1,3-dione +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O CEK (9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F CEL 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide +C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O CEM n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O CEN 7beta-(4carboxybutanamido) cephalosporanic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 CEO 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CEP cephalothin group +CC[Si](C)(C)C CEQ ethyl-trimethyl-silane +C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O CER (2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O CES 2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CET 2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine +CNc1cc(nc(n1)N)N2CCN(CC2)C CEU n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N CEV ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O CEW (2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CEX alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CEY alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O CEZ 4-o-beta-d-glucopyranosyl-d-gluconic acid +[Cf+3] CF californium ion +CF CF0 fluoromethane +COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F CF1 2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O CF2 2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine +c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F CF3 9,9,9-trifluoro-8-oxo-n-phenylnonanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O CF4 [4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O CF5 coformycin 5'-phosphate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C CF6 n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N CF7 (2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide +c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S CF8 (~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid +c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-] CF9 2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate +c1cc(c(cc1Cl)Cl)OCC(=O)O CFA (2,4-dichlorophenoxy)acetic acid +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N CFB 2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine +CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O CFC 1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene +C[C@H](\C=C(/C)\[C@@H](C)N)C=O CFD (2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O CFE (8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +Cn1cnc2c1C(=O)N(C(=O)N2C)C CFF caffeine +CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3 CFG n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide +C(C(F)(F)F)(C(F)(F)F)O CFH 1,1,1,3,3,3-hexafluoropropan-2-ol +c1ccc(cc1)N(N=O)O CFI 1-hydroxy-2-oxo-1-phenylhydrazine +CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N CFJ (3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide +c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N CFK 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFL 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one +S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48 CFM fe-mo-s cluster +N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 CFN fe(7)-mo-s(9)-n cluster +O([Fe])[Fe]Cl CFO chloro diiron-oxo moiety +c1[nH]c2c(n1)c(nc(n2)F)Cl CFP 6-chloro-2-fluoropurine +C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine +C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N CFS 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid +C(F)(F)F CFT trifluoromethane +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O CFU (2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O CFV [(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid +CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 CFX cefoxitin +c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N CFY [(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFZ 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) +c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N CG 4-amidinoindan-1-one-2'-amidinohydrazone +CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3 CG0 n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O CG1 5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N CG2 cytidyl-2'-5'-phospho-guanosine +c1ccc(c(c1)[N+](=O)O)O CG3 hydroxy(2-hydroxyphenyl)oxoammonium +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O CG4 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC CG5 (9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +C[C@H]([C@@H](C(=O)O)N)S CG6 beta-methyl-cysteine +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid +CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CG8 (2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid +c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 CG9 6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine +C(CC(=O)OCC(=O)O)C(C(=O)O)N CGA carboxymethylated glutamic acid +C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O CGB calystegine b2 +c1ccc2c(c1)nc(s2)O CGD 1,3-benzothiazol-2-ol +COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2 CGE clopidogrel +C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O CGF c-(1-azido-alpha-d-glucopyranosyl) formamide +c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O CGG chlorogenic acid +C1CCCC(CC1)NCC(=O)O CGH n-cycloheptylglycine +Cc1nnc2n1-c3ccccc3COC2 CGJ 1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N CGK 3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid +C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N CGL cystine-glutathione +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C CGM (4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside +C1CC(=O)N[C@@H]1C=O CGN 5-oxo-pyrrolidine-2-carbaldehyde +c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+] CGO sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N CGP 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate +c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N CGQ 3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O CGR cyclic guanosine diphosphate-ribose +CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC CGS n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride +c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO CGT carba-glucotropaeolin +C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N CGU gamma-carboxy-glutamic acid +C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O CGV s-[(r)-carboxy(hydroxy)methyl]-l-cysteine +C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CGW (2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid +CCc1c(nc(nc1N2CCCCC2)N)NC3CC3 CGX n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O CGY (1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol +C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N CH n3-protonated cytidine-5'-monophosphate +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C CH0 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O CH1 3'-deoxy-cytidine-5'-triphosphate +[CH2] CH2 methylene group +C CH3 methyl group +C(CNCC(CNCCN)C=O)N CH4 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal +C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O CH5 2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium +CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N CH6 {(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O CH7 [(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc(cc1)Oc2ccc(cc2O)Cl CH8 5-chloro-2-phenoxyphenol +c1ccc(cc1)c2ccccc2O CH9 2-hydroxybiphenyl +C1CCC(CC1)C[C@@H](CO)N CHA 1-hydroxy-2-amino-3-cyclohexylpropane +c1cc(c(cc1C(=O)O)Cl)O CHB 3-chloro-4-hydroxybenzoic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O CHC 6-ethyl-chenodeoxycholic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHD cholic acid +C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N CHF cyclohexylfluorostatone +C1CCC(CC1)[C@@H](C(=O)O)N CHG cyclohexyl-glycine +CC(=O)CCC[N+](C)(C)C CHH n,n,n-trimethyl-4-oxopentan-1-aminium +c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F CHI 5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide +CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl CHJ 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one +C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O CHK 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O CHL chlorophyll b +C(C(=O)CCl)Cl CHM 1,3-dichloro-propan-2-one +C1CC(CCC1CN)N CHN 4-aminomethyl-cyclohexylamine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHO glycochenodeoxycholic acid +c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O CHP 3-chloro-4-hydroxyphenylglycine +c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2 CHQ cyclo-(l-histidine-l-proline) inhibitor +Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC CHR neocarzinostatin-chromophore +C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N CHS 4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid +C[N+](C)(C)CCO CHT choline ion +CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC CHU n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide +c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl CHV 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O CHW 3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde +C1CCCCC1 CHX cyclohexane +c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O CHZ 1,8-dihydroxyanthracene-9,10-dione +c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI1 (2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C CI2 (5beta)-pregnane-3,20-dione +c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI3 (2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O CI4 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one +c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O CI9 n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 CIA 6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C CIB 2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O CIC citryl-thioether-coenzyme *a +c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl CID 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC CIE 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester +c1c(nc(cn1)Cl)N CIG 2-amino-6-chloropyrazine +C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O CIH (2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide +CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2 CII n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F CIJ 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C CIL cilastatin +c1cc(ccc1\C=C\C(=O)O)C(=O)O CIN 4-carboxycinnamic acid +COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N CIO cilomilast +C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O CIP inositol-2-methylene-1,2-cyclic-monophosphate +CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC CIQ 2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine +C(C[C@@H](C(=O)O)N)CNC(=O)N CIR citrulline +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O CIS (15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide +C(C(=O)O)C(CC(=O)O)(C(=O)O)O CIT citric acid +c1cc(ccc1NC(=O)NC2CCCCC2)I CIU n-cyclohexyl-n'-(4-iodophenyl)urea +c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O CIV 2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 CIW 5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O CIX n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide +COc1cc(ccc1O)/C=C/C=O CIY (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal +C/C(=C/C(=O)O)/C(=O)O CIZ (~{z})-2-methylbut-2-enedioic acid +CNc1cc(nc(n1)N)N2CCOCC2 CJ0 n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O CJ1 7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol +COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F CJ2 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide +B1(c2ccccc2C=NN1C(=S)N)O CJ3 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide +CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F CJ4 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F CJ5 1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3 CJ6 n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F CJ7 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole +CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O CJ8 (2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide +c1c(nc(nc1N2CCCCC2)N)NC3CC3 CJ9 n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2 CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CJB 1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl CJC 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one +CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC CJD 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOC(=O)[C@H](C)C(=O)C CJE ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate +c1c(nc(nc1N2CCOCC2)N)NC3CC3 CJF n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl CJG 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N CJH (2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide +c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N CJJ 5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide +Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N CJK 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4 CJL n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO CJM 2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol +CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C CJN ~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine +C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O CJO [(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN CJP 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine +c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5 CJQ 2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide +CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3 CJR n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N CJT 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide +CNc1cc(nc(n1)N)N2CCCCC2 CJU n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC CJV methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate +c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CJW 6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N CJX (2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol +c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O CJY 3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl CJZ 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N CK0 (2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1cnc(nc1c2cc(sc2Cl)Cl)N CK1 4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N CK2 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O CK3 n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F CK4 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O CK5 3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O CK6 4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] CK7 [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C CK8 n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O CK9 2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol +c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O CKA 7-chlorokynurenic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CKB 1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione +CC(=O)[C@H](CCCCN)N CKC (3s)-3,7-diaminoheptan-2-one +c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKD (s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide +CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN CKE 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine +c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2 CKG 8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F CKH 2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide +c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl CKI n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide +CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F CKJ 1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F CKK n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide +COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N CKL 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide +C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKM n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C CKN (3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide +CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 CKO e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide +C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O CKP 6-o-phosphono-beta-d-psicofuranosonic acid +c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKQ 4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid +c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N CKR 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKS n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O CKT cys-ketimine +CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O CKU (3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid +C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKV n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKW (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O CKX (2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid +C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKY n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O CKZ (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +[Cl-] CL chloride ion +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL0 chlorophyll a isomer +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL1 alpha chlorophyll a +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL2 beta chlorophyll a +CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4 CL3 n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide +c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-] CL4 n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide +C(CNCC(=O)O)C=O CL5 n-(3-oxopropyl)glycine +c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 CL6 1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole +CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C CL7 chlorophyll d +c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CL8 chloramphenicol succinate +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N CL9 2-chloro-2'-deoxyadenosine +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C CLA chlorophyll a +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLB d-para-chlorophenyl-1-acetamidoboronic acid alanine +CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O CLC n-acetyl-p-nitrophenylserinol +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLD d-para-chlorophenyl-1-acteamidoboronic acid alanine +CC(C)C[C@@H](C(=O)N)N CLE leucine amide +[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLF fe(8)-s(7) cluster +C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N CLG 2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid +C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N CLH 2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid +c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl CLI 3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid +Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C CLJ calicheamicin alpha3i +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N CLK alpha-n-dichloroacetyl-p-aminophenylserinol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C CLL cholesteryl linoleate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CLM chloramphenicol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O CLN sulfur substituted protoporphyrin ix +[Cl-] CLO chloro group +[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLP fe-s cluster +CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl CLQ n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CLR cholesterol +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O CLS cephalothin +c1ccc(cc1)CCCC(=O)O CLT 4-phenyl-butanoic acid +c1cc(c(c(c1)Cl)N=C2NCCN2)Cl CLU 2,6-dichloro-n-imidazolidin-2-ylideneaniline +C[C@@H](C1N=CC(=O)N1CC(=O)O)N CLV {(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2c(cc1Cl)NC(=O)O2 CLW chlorzoxazone +C(=O)C(Cl)(Cl)Cl CLX tri-chloro-acetaldehyde +CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl CLY clindamycin +c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N CLZ 5-chloryl-2,4,6-quinazolinetriamine +CC(=O)O CM carboxymethyl group +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O CM0 5-(carboxymethoxy) uridine-5'-monophosphate +C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O CM1 carboxymycobactin s +c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O CM2 carboxymycobactin t +C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5 CM3 (2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol +C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O CM4 (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol +C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CM5 5-cyclohexyl-1-pentyl-beta-d-maltoside +c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4 CM6 (2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide +CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O CM7 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O CM8 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2 CM9 cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N CMA n2-(carboxyethyl)-l-arginine +Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl CMB 1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O CMC carboxymethyl coenzyme *a +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O CMD 3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin +C(CSSC[C@@H](C(=O)O)N)O CME s,s-(2-hydroxyethyl)thiocysteine +c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5 CMF 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 CMG 6-o-cyclohexylmethyl guanine +C[Hg]SC[C@@H](C(=O)O)N CMH s-(methylmercury)-l-cysteine +[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N CMI 1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide +CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC CMJ (20s)-20-methyldotetracontane +C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O CMK cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid +C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O CML (2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC CMM 2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CMN (1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +[C-]#[O+] CMO carbon monoxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N CMP adenosine-3',5'-cyclic-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2 CMQ n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O CMR 2'-deoxy-cytidine-5'-rp-monomethylphosphonate +CN(CC(=O)O)C(=O)N CMS carbamoyl sarcosine +COC(=O)[C@H](CS)N CMT o-methylcysteine +[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl CMU 5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil +CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CMV (2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2 CMW 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O CMX carboxymethyldethia coenzyme *a +C(CCCNC(=O)O)CCN CMY (6-aminohexyl)carbamic acid +Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C CMZ (2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol +C#N CN cyanide +C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O CN0 (2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid +O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O CN1 oxo-iron cluster 2 +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC CN2 2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide +CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC CN3 (2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CN4 n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide +CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O CN5 (5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate +CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC CN6 (2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6 CN7 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC CN8 (4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide +Cc1c2c(ccn1)c3ccccc3[nH]2 CN9 1-methyl-9h-pyrido[3,4-b]indole +c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N CNA carba-nicotinamide-adenine-dinucleotide +O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O CNB oxo-iron cluster 1 +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O CNC cyanocobalamin +c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O CND 5-beta-d-ribofuranosylnicotinamide adenine dinucleotide +CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC CNE (3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid +O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O CNF oxo-iron cluster 3 +C1CCCC(CCC1)NCC(=O)O CNG n-cyclooctylglycine +CC(C)(C#N)O CNH 2-hydroxy-2-methylpropanenitrile +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N CNI 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile +c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CNK (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol +CC1(C2CCC(O1)(CC2)C)C CNL 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane +CC(=O)N CNM acetamide +C(#N)N CNN cyanamide +CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O CNO 2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O CNP 2-propenyl-n-acetyl-neuraminic acid +c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N CNQ 3-(4-chlorophenyl)quinoxaline-5-carboxamide +C[C@@H](C(=O)O)Cl CNR (2s)-2-chloropropanoic acid +CCCCCCCCCCCCCCCCOC(=O)CCCCCCC CNS hexadecyl octanoate +CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O CNT n-methyl-meta-chloro-tyrosine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N CNU 5-cyano-uridine-5'-monophosphate +CCC#N CNV propanenitrile +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N CNW 7-diethylamino-2-oxo-chromene-3-carboxamide +CCCCCCC#N CNX heptanenitrile +C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N CNY 13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] CNZ l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +[Co+2] CO cobalt (ii) ion +CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O CO0 (3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione +C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C CO1 17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol +C(=O)=O CO2 carbon dioxide +C(=O)([O-])[O-] CO3 carbonate ion +Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC CO4 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine +[OH2][Co+3]([OH2])([OH2])([OH2])[OH2] CO5 cobalt ion,5 waters coordinated +CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO6 isobutyryl-coenzyme a +C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O CO7 s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO8 octanoyl-coenzyme a +C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N CO9 1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O COA coenzyme a +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O COB co-methylcobalamin +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC COC cocaine +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O COD dephospho coenzyme a +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O COE furo[2,3d]pyrimidine antifolate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O COF trifluoroacetonyl coenzyme a +CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N COG 2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O COH protoporphyrin ix containing co +CC(C)CC(=O)C(=O)O COI 2-oxo-4-methylpentanoic acid +C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O COJ hydrogenobyrinic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O COK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O COL 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid +C(CS(=O)(=O)O)S COM 1-thioethanesulfonic acid +[NH3][Co+3]([NH3])([NH3])[NH3] CON cobalt tetraammine ion +CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O COO crotonyl coenzyme a +c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O COP n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid +CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N COQ 2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N COR 2,4-diamino-1,5-diphenyl-3-hydroxypentane +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O COS coenzyme a persulfide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O COT coa-s-acetyl tryptamine +c1ccc2c(c1)C=CC(=O)O2 COU coumarin +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C COV (1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O COW anthraniloyl-coenzyme a +Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N COX 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O COY co-(adenin-9-yl-pentyl)-cobalamin +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O COZ coenzyme a +C(=O)(N)OP(=O)(O)O CP phosphoric acid mono(formamide)ester +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7 CP0 (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate +CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N CP1 2-(methylamino)-ethylglycine-carbonylmethylene-cytosine +C[C@@H](CCl)Cl CP2 1,2-dichloro-propane +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C CP3 coproporphyrinogen iii +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl CP4 bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol +c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-] CP5 (2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate +CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl CP6 5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)c2ccccc2 CP7 6-ethyl-5-phenylpyrimidine-2,4-diamine +C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4 CP8 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid +Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O CP9 3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N CPA 2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate +C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O CPB 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one +C[C@H]1C[C@]1(C(=O)O)NC CPC 2-methyl-1-methylamino-cyclopropane carboxylic acid +CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl CPD [1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester +c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4 CPF 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N CPG guanosine-5'-phosphate +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O CPH (1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose +C1CCN[C@H](C1)C(=O)O CPI 6-carboxypiperidine +CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O CPJ bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane +CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O CPK bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CPL 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine +CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O CPM s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane +C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O CPN 2-aminoethylglycine-carbonylmethylene-cytosine +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO CPO coprogen +C[C@@H](CC1CC1)C=O CPP 2-cyclopropylmethylenepropanal +C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CPQ n,n-bis(3-d-gluconamidopropyl)deoxycholamide +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl CPR 6-chloropurine riboside, 5'-monophosphate +C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPS 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate +[NH3][Pt]([NH3])(Cl)Cl CPT cisplatin +c1ccc(cc1)CCCNC(=O)NC2CCCCC2 CPU n-cyclohexyl-n'-(propyl)phenyl urea +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CPV 5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid +C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CPW (s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid +CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4 CPX n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide +C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N CPY 1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one +c1cc(ccc1c2cnc[nH]2)Cl CPZ 4-(4-chlorophenyl)imidazole +Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 CQ0 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O CQ1 [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O CQ2 {(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl CQ3 n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide +[O-][Cr](=O)(=O)[O-] CQ4 chromate +C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4 CQ5 3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one +CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3 CQ6 7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine +Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6 CQ7 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide +CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3 CQ8 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide +CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4 CQ9 (3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione +CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl CQA 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol +CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O CQB (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C CQC 5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione +c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3 CQD 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione +CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F CQE n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide +Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C CQF (6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine +c1cnccc1O CQG pyridin-4-ol +CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-] CQH 5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC CQI [(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +Cc1ccnc(c1)O CQJ 4-methylpyridin-2-ol +c1cnc(cc1c2n[nH]nn2)C(=O)NO CQK ~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +c1cc2c(cc(c(c2nc1)O)I)Cl CQL 5-chloro-7-iodoquinolin-8-ol +C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O CQM citramalyl-coa +CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 CQN bepridil +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN CQO 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine +c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl CQP (4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 CQQ 4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CQR [(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N CQS 2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3 CQT ~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3 CQU n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCCc1ccc(nc1)C(=O)O CQV 5-butylpyridine-2-carboxylic acid +c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl CQW 5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CQX (2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol +CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-] CQY (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone +c1cnc(cc1C(=O)O)NCCCO CQZ 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid +[Cr+3] CR chromium ion +CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O CR0 [2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde +COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CR1 n-(methoxycarbonyl)-beta-d-glucopyranosylamine +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CR2 {(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N CR3 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] CR4 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate +C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O CR5 (2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium +CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CR6 1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O CR7 [(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N CR8 2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate +C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F CR9 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate +COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CRA 1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide +C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O CRB [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid +CCCCCCCCCC(=O)O CRC capric acid +C\C=C\C=O CRD (2e)-but-2-enal +CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C CRE germacrene a +C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O CRF [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O CRG [2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC CRH 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene +Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO CRI 5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F CRJ n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide +CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O CRK 4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate +C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2 CRL n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide +C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O CRM 3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid +CN(CC(=O)O)C(=N)N CRN n-[(e)-amino(imino)methyl]-n-methylglycine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O CRO {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl CRP ((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O CRQ [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5 CRR 3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid +Cc1cccc(c1)O CRS m-cresol +C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC CRT spirilloxanthin +[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O CRU 4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid +c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F CRV n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N CRW [2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N CRX [2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid +C(C(CO)O)O CRY propane-1,2,3-triol +c1ccc2c(c1)c3ccccc3n2CCCC(=O)O CRZ 4-(9h-carbazol-9-yl)butanoic acid +[Cs+] CS cesium ion +C(CSC[C@@H](C(=O)O)N)O CS0 s-(2-hydroxyethyl)-l-cysteine +c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N CS1 s-(2-anilinyl-sulfanyl)-cysteine +C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O CS2 d-mannonic acid +c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N CS3 s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine +c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl CS4 s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C CS5 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C CS7 n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide +CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CS8 3-thiaoctanoyl-coenzyme a +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C CS9 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide +CC(=O)CSC[C@@H](C(=O)O)N CSA s-acetonylcysteine +C([C@@H](C(=O)O)N)S[Pb+] CSB cys bound to lead ion +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O CSC 4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium +C([C@@H](C(=O)O)N)[S@@](=O)O CSD 3-sulfinoalanine +C([C@@H](C(=O)O)N)[SeH] CSE selenocysteine +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O CSF cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N CSG 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O CSH [2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid +[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O CSI amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid +c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N CSJ s-[(2-aminophenyl)carbonyl]-l-cysteine +C[Se]SC[C@@H](C(=O)O)N CSK s-(methylselanyl)-l-cysteine +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O CSL (d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate +COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O CSM 1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O CSN n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium +C([C@@H](C(=O)O)N)SO CSO s-hydroxycysteine +C([C@@H](C(=O)O)N)SP(=O)(O)O CSP s-phosphocysteine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSQ o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate +C([C@@H](C(=O)O)N)S[As](=O)(O)O CSR s-arsonocysteine +C([C@@H](C(=O)O)N)SS CSS s-mercaptocysteine +C([C@@H](C(=O)O)N)SS(=O)(=O)O CSU cysteine-s-sulfonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSV o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate +C([C@@H](C(=O)O)N)S(=O)O CSW cysteine-s-dioxide +C([C@@H](C(=O)O)N)[S@H]=O CSX s-oxy cysteine +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O CSY [(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C([C@@H](C(=O)O)N)S[SeH] CSZ s-selanyl cysteine +c1csc(n1)NC(=O)C(=O)NC2CCCC2 CT0 n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide +CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C CT1 (1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate +CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2 CT2 1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CT3 beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4 CT5 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol +c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4 CT6 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine +CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl CT7 (5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine +c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4 CT8 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N CT9 4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide +c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O CTA cyclotheonamide a +B(CNC(=O)Cc1cccs1)(O)O CTB n-2-thiophen-2-yl-acetamide boronic acid +C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O CTC 7-chlorotetracycline +C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTD 3-deazacytidine +c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N CTE 7-chlorotryptophan +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC CTF (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate +C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O CTG (5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate +C([C@H]([C@@H](C(=O)O)N)O)Cl CTH 4-chlorothreonine +C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5 CTI 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O CTJ 1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium +CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O CTK 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid +c1ccc2c(c1)CC[C@@H]([C@@H]2O)N CTL cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O CTM (2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTN 4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O CTO triacetylchitotriose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O CTP cytidine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CTR cellotriose +C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O CTS castanospermine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O CTT beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7 CTU 3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one +CC(=CCC/C(=C\C#N)/C)C CTV (2z)-3,7-dimethylocta-2,6-dienenitrile +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F CTW n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 CTX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O CTY clarithromycin +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O CTZ c2-hydroxy-coelenterazine +[Cu+2] CU copper (ii) ion +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O CU0 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[Cu+] CU1 copper (i) ion +[Cu+3] CU3 copper (iii) ion +CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F CU4 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide +COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O CU5 s-dihydrowogonin +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 CU6 [cuii(biot-et-dpea)]2+ +C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O CU7 (2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate +Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N CU8 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C CU9 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium +[Cu][Cu] CUA dinuclear copper ion +CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+] CUB cu(i)-s-mo(iv)(=o)o-nbic cluster +C1CCC(CC1)[C@@H](C(=O)O)N CUC cyclohexylglycyl +C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N CUD 3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine +c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O CUE coumestrol +c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F CUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii) +CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O CUG (2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O CUH 2,3,4-trihydroxybenzophenone +S1[Cu]S([Cu]1)([Cu])[Cu] CUK [4cu:2s] cluster +Cl[Cu]Cl CUL copper (ii) chloride +O[Mo+6](=O)S[Cu+] CUM cu(i)-s-mo(vi)(=o)oh cluster +O[Mo+4](=O)S[Cu+] CUN cu(i)-s-mo(iv)(=o)oh cluster +O1[Cu]O[Cu]1 CUO cu2-o2 cluster +c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3 CUP (n-salicyliden-l-phenylalanato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(c(c2)O)O CUQ [3,4-bis(oxidanyl)phenyl]-phenyl-methanone +COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O CUR (1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one +CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2 CUS (n-salicyliden-l-leucinato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(cc2O)O CUT [2,4-bis(oxidanyl)phenyl]-phenyl-methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N CUU [(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni] CUV fe(4)-ni(1)-s(4) cluster, oxidized +C(C[C@H]([C@@H](C(=O)O)N)O)CN CUW (2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid +c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl CUX 2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CUY tetracosyl octadecanoate +S123[Cu]4[Cu]15[Cu]24[Cu]35 CUZ (mu-4-sulfido)-tetra-nuclear copper ion +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C CV0 mesoporphyrin ix containing rh +c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N CV1 (2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide +C=C(c1ccccc1)[C@@H](N)P(=O)(O)O CV2 (s)-(1-amino-2phenylallyl)phosphonic acid +CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O CV3 (3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione +CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F CV4 n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3 CV5 (3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F CV6 tezacaftor +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O CV7 desisobuytyryl ciclesonide +C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC CV8 2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O CV9 (2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 CVA 2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide +B(c1ccc(cc1)\C=C\C(=O)O)(O)O CVB 4-(carboxyvin-2-yl)phenylboronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O CVC [(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate +COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O CVD (2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol +C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 CVE (3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid +CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O CVF 3-[4-(2-acetamidoethyl)phenyl]benzoic acid +Cc1ccc(nn1)O CVG 6-methylpyridazin-3-ol +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C CVI crystal violet +CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3 CVJ (1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4 CVK 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C CVL 5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one +C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CVM cymal-4 +c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F CVN 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one +C1CNCCC1COC(=O)N2CCC(CC2)(CN)F CVO piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate +c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4 CVP 4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide +COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC CVQ 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol +[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O CVR cyclic adenosine 5'-diphosphocarbocyclic ribose +COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3 CVT 3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide +C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O CVU l-fuculose open form +c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O CVV n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide +Cc1ccc2c(c1)c(c[nH]2)CCN CVW 2-(5-methyl-1~{h}-indol-3-yl)ethanamine +CCCCO[P@@](=O)(C)O CVX o-butlylmethylphosphonic acid ester group +CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] CVZ 3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione +c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F CW0 piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O CW1 cotylenin a +C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl CW2 n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C CW4 (4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC CW5 1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea +CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O CW6 2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol +CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O CW7 cotylenin a +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C CWA (4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C CWB 1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide +CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3 CWC 4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl CWD 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CWE r-naringenin +C[C@@H](CCCCCCC(=O)O)N CWF (8s)-8-azanylnonanoic acid +Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C CWG 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine +C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C CWH [(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate +Cc1cc2cc(ccc2[nH]1)OC CWJ 5-methoxy-2-methyl-1h-indole +c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWK 3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile +C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N CWL (3r)-3-[(1r)-1-azanylethyl]nonanedioic acid +Cc1[nH]c2c(n1)cccc2O CWM 2-methyl-1h-benzimidazol-7-ol +Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C CWN ntme polyamide +[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] CWO co(ii)-substituted wells-dawson +Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C CWP n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine +C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O CWQ 2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium +CC1=NCN(C1=O)CC(=O)O CWR (4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid +Cc1ccc2c(c1)c(ncn2)N CWS 6-methylquinazolin-4-amine +CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C CWT (5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O CWU 5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O CWV [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br CWW 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWX 4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide +COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N CWY (1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5 CWZ n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N CX0 [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4 CX1 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O CX2 2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5 CX3 [2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+) +c1cc2c(cc1Cl)ncnc2NCC3CC3 CX4 7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine +c1cc2c(cc1C(=O)N3CCCCC3)nccn2 CX5 piperidin-1-yl(quinoxalin-6-yl)methanone +c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O CX6 2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O CX7 cotylenol +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5 CX8 [2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C CX9 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione +c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N CXA phenylalanine-n-sulfonamide +B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O CXB [(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N CXC [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl CXD 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide +CCCCCCCCCCOCCOCCOCCOCCOCCO CXE pentaethylene glycol monodecyl ether +C1CCC(CC1)NC=O CXF cyclohexylformamide +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O CXG methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +c1cc(c(cc1NC(=O)CS)Cl)Cl CXH ~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide +c1c(cc(cc1F)F)[C@@H](C(=O)O)O CXJ (2s)-(3,5-difluorophenyl)(hydroxy)acetic acid +C1CCC(CC1)O CXL cyclohexanol +CSCC[C@@H](C(=O)O)NC(=O)O CXM n-carboxymethionine +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O CXN cloxacillin +C1CCC(=O)C(=O)C1 CXO cyclohexane-1,2-dione +C1CCC(CC1)CCC(=O)O CXP cyclohexane propionic acid +CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4 CXQ benztropine +[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O CXR cyclic adenosine diphosphate-ribose +C1CCC(CC1)NCCCS(=O)(=O)O CXS 3-cyclohexyl-1-propylsulfonic acid +CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O CXT carboxyatractyloside +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXU cloxacillin (open form) +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXV (2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O CXW 2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol +CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CXX 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O CXY cytidine-5'-diphospho-beta-d-xylose +c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl CXZ 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol +c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N CY0 s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine +CC(=O)NCSC[C@@H](C(=O)O)N CY1 acetamidomethylcysteine +C([C@@H](C(=O)N)N)S CY3 2-amino-3-mercapto-propionamide +CCCC(=O)SC[C@@H](C(=O)O)N CY4 s-butyryl-cystein +CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C CY6 n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide +CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N CY7 s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine +C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 CY8 cyclopamine +C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O CY9 (3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate +O.O CYA two oxygen atoms bound to sg of cys +CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C CYB phycourobilin +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C CYC phycocyanobilin +C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYD 2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid +Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C CYE 45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene +c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O CYF 5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid +C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYG 2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid +C1CCC(=O)CC1 CYH cyclohexanone +[C-]#[N+]C1CCCCC1 CYI cyclohexyl isocyanide +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O CYJ (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine +CCCCCC(=O)N[C@@H](CCS)C(=O)O CYK n-hexanoyl-l-homocysteine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CYL valienamine +CSC[C@@H](C(=O)O)N CYM s-methylcysteine +[C-]#N CYN cyanide ion +O.O.O CYO oxygens bound to cys sg +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N CYP 9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene +C([C@@H](C(=O)O)N)SCP(=O)(O)O CYQ 2-amino-3-phosphonomethylsulfanyl-propionic acid +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N CYR n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate +C([C@@H](C(=O)O)N)S CYS cysteine +C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 l-cysteine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])S CYS_LEO2H l-cysteine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)O)N)S CYS_LFOH l-cysteine free neutral +C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG l-cysteine-free neutral/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW l-cysteine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG l-cysteine-free zwitterion/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH-])S CYS_LL l-cysteine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG l-cysteine-linking embedded fragment/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 l-cysteine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg +C1=C(NC(=O)N=C1)N CYT 6-aminopyrimidin-2(1h)-one +C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O CYU calyculin a +CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C CYV ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate +C[C@H](C(=O)SC[C@@H](C(=O)O)N)O CYW s-[(2r)-2-hydroxypropanoyl]-l-cysteine +C=C(CCP(=O)(O)O)C=O CYX (3-formyl-but-3-enyl)-phosphonic acid +C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N CYY 2-deoxystreptamine +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4 CYZ cyclothiazide +CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O CZ0 8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one +C([C@@H](C(=O)O)N)S[As](O)O CZ2 s-(dihydroxyarsino)cysteine +C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC CZ3 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole] +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl CZ4 5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3 CZ5 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide +B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N CZ6 2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid +B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O CZ7 ({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ8 ({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ9 n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide +CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O CZA (6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO CZB (2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZC [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN CZD (8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O CZE (2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZF [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-] CZG 2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O CZH c2-hydroperoxy-coelenterazine +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO CZI (2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O CZJ (3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O CZK (2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24 CZL l-cluster (fe8s9) +Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C CZM 'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine' +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO CZN (2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O CZO [(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O CZP (8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one +C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F CZQ 2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone +c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N CZS 3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine +C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O CZT (2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O CZU [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F CZV 6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cccc(c1C)[C@H](C)c2c[nH]cn2 CZX 4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole +C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C CZY 6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C([C@@H](C(=O)O)N)S[As]O CZZ thiarsahydroxy-cysteine +CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D00 2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate) +c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-] D01 2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide +COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F D02 methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4 D03 (s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3 D04 4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide +CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O D05 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one +CNc1c2cnn(c2nc(n1)Cl)C D07 6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO D08 2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide +C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D09 5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F D0A n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC D0B 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one +c1cc(ccc1C[C@H](C(=O)O)N)Cl D0C 4-chloro-d-phenylalanine +COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4 D0E 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3 D0F (2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CC[C@H](C)CCCCCCCCCCCCC(=O)O D0G (14s)-14-methylhexadecanoic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C D0H 6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide +COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O D0J (2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC D0K 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O D0L (2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CCC(CC)N D0M pentan-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O D0N (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C D0O (4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid +c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O D0P n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N D0Q 5-methyl-l-tryptophan +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O D0R n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5 D0S n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O D0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c(cc1N)S)C(=O)O D0U 4-azanyl-2-sulfanyl-benzoic acid +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D0V (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0W sampatrilat-asp +CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl D0X [ru(eta(6)-p-cymene)cl-2(pta) +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl D0Y (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0Z sampatrilat +CCCCCCCCCC D10 decane +C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O D11 d-phosphothreonine +CCCCCCCCCCCC D12 dodecane +C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I D13 4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine +C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1 D14 7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide +c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl D15 n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide +CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O D16 tomudex +c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3 D17 n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid +CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N D18 2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5 D19 2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] D1A n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N D1B 2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride +c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N D1C 4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide +C1[C@H]([C@@H](CSS1)O)O D1D (4s,5s)-1,2-dithiane-4,5-diol +CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1F 1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CN(C)Cc1ccc(o1)c2cccnc2 D1G n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine +Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C D1H 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1I 3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one +CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1J 1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1K 3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl D1L 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1M 5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)ccc(c2O)O D1N naphthalene-1,2-diol +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O D1P 2'-deoxy-ribofuranose-5'-phosphate +CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1 D1Q 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4 D1R nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC D1S (4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CCCCCCCCCCS D1T decane-1-thiol +CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C D1U 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide +c1ccc2c(c1)C(=O)NC(=N2)S D1V 2-mercapto(3h)quinazolinone +CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine +C1C(=CC(=O)NC1=O)C(=O)O D1X 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid +c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O D1Y (2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5 D1Z ~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide +COCCNC(=N)NCCC[C@@H](C(=O)O)N D20 n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC D21 (2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate +CCCCCCCCNCCCCCCCC D22 n-octyloctan-1-amine +CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N D23 6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5 D24 2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan +c1ccc(cc1)c2cc(on2)c3cc[nH]n3 D25 3-phenyl-5-(1h-pyrazol-3-yl)isoxazole +c1ccc(cc1)c2ncc(s2)c3cc[nH]n3 D26 phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole +COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O D27 2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid +Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O D28 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid +c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F D29 (z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol +[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N D2A 2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine +CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2B 5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O D2C (2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide +CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2D 5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4 D2E 5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine +CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2F 5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CNCc1ccc(o1)c2cccnc2 D2G n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine +CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2H 5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O D2J 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid +CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2K ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate +CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC D2L [(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate +COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC D2M 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol +CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2N ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4 D2O 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +C([C@@H](CCl)Cl)O D2P (2s)-2,3-dichloropropan-1-ol +CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2Q ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC D2R 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid +c1cc(c(cc1O)O)SSc2ccc(cc2O)O D2S 4,4'-disulfanediyldibenzene-1,3-diol +CS[C@H]([C@@H](C(=O)O)N)C(=O)O D2T (3r)-3-(methylsulfanyl)-l-aspartic acid +Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C D2U (2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D2V (3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol +CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC D2W 4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide +Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O D2X 3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O D2Y methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside +C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2 D2Z 2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium +c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3 1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole +CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F D30 [(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid +c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5 D31 2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide +Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C D32 (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid +c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D33 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5 D34 2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5 D35 2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan +CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D36 n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D37 n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O D38 n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC D39 (2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl D3A (1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid +Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C D3B 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F D3C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC D3D (19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate +C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O D3E n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] D3F 2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene +c1cc(cnc1)c2ccc(o2)CN D3G (5-(pyridin-3-yl)furan-2-yl)methanamine +c1cc(ccc1N)NC(=O)CN D3H ~{n}-(4-aminophenyl)-2-azanyl-ethanamide +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D3J (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3K (2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine +COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3 D3L (5-methoxy-1h-indol-2-yl)-phenyl-methanone +COc1c(ccc(c1C(=O)O)Cl)Cl D3M 3,6-dichloro-2-methoxybenzoic acid +c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3N 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one +[2H][O+]([2H])[2H] D3O trideuteriooxidanium +c1c(cc(cc1O)O)[C@H](C(=O)O)N D3P (2r)-amino(3,5-dihydroxyphenyl)acetic acid +COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3 D3Q (2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O D3R ~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O D3S (6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D3T 2',3'-dideoxy-thymidine-5'-triphosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D3U 2-pcpa derivative +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O D3V 1a,20s-dihydroxyvitamin d3 +COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3W (2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine +COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO D3X n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide +c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O D3Y 3'-deoxy-3'-(d-tyrosylamino)adenosine +C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O D3Z 1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O D40 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3 D41 7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C D42 1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea +CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O D43 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3 D44 n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide +CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C D45 6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1 D46 n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl D47 (3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione +c1ccc2cc(c(cc2c1)O)O D48 naphthalene-2,3-diol +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O D49 2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D4A (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O D4B [(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O D4D 2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O D4F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate +c1cnccc1SSc2ccncc2 D4G 4,4'-dipyridyl disulfide +Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4H (2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O D4I methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D4J (2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4K (2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6 D4L 2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O D4M [(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N D4N 1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O D4O (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +c1cc(ccc1[C@@H](C(=O)O)N)O D4P (2s)-amino(4-hydroxyphenyl)acetic acid +c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N D4Q 2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide +CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC D4R (4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl D4S (6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D4T 2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate +c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O D4U (3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +Cc1cccnc1O D4V 3-methylpyridin-2-ol +c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl D4W 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O D4X (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one +c1cc2c(cc1F)[C@@H](C(=O)N2)O D4Y (3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4 D4Z 2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O D50 n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine +Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N D51 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N D52 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1ccc(cc1)CNCCS(=O)(=O)O D53 2-(benzylamino)ethanesulfonic acid +C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O D54 4-deoxy-l-threo-hex-5-ulosuronic acid +CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC D55 4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide +CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C D56 4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O D57 dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate +C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4 D58 4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide +Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl D59 n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide +c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+] D5B [8-(azaniumylmethyl)anthracen-1-yl]methylazanium +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N D5C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N D5E paromamine +C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O D5F 3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one +CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2 D5G (2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O D5H 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid +c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 D5I n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N D5M 2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F D5N (2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O D5O 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one +Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC D5Q 4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C D5T 1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione +COc1ccccc1C(=O)CCc2ccccc2C(=O)O D5U 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D5V (1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C D5W (2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide +CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D5X (2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate +COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N D5Y methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N D5Z (4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O D60 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid +c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3 D61 (2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N D62 (4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N D63 4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N D64 6-(4-methylphenyl)quinazoline-2,4-diamine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F D65 2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O D66 n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F D67 2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C D68 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione +[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D69 [[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F D6A (3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol +CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC D6C [(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO D6D (1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O D6E (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid +CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC D6F 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O D6G 2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4 D6I 6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine +CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3 D6J (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide +C[C@@H]1C[C@H](OC(O1)(C)C)O D6K (4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O D6M n-hexadecanoyl-l-glutamic acid +C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81 D6N fev +C(=C\C(=O)O)\C(=O)NC=O D6O (~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid +C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O D6P (3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid +c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F D6Q 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC D6R 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D6S (1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC D6T ~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5 D6U 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3 D6V 2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole +CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5 D6W 2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide +Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C D6X n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine +CC(C)(C)c1cc(no1)CC2(COC2)N D6Y 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine +c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F D6Z 2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D70 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4 D71 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl D72 (2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D73 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D74 (1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O D75 daidzein-7-o-glucuronide +C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1 D76 (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide +C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O D77 methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC D78 (5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide +Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C D79 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol +COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N D7A n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5 D7B (s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C D7C 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone +CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2 D7D n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide +CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F D7E 4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide +CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C D7F 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC D7G ((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N D7H (s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O D7I 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate +CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2 D7J tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O D7K 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O D7L 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2 D7M tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F D7N 2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N D7P d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide +CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O D7Q 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid +Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7R 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C D7S (5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid +Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C D7T 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7U 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one +CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3 D7V (3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl D7W 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea +Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C D7X n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide +CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 D7Y tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl D7Z ptcl2(1(r),2(r)-dach) +CCCCc1nc2c(o1)c3ccccc3nc2N D80 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine +CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3 D81 s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N D82 beta-saxitoxinol +[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N D83 2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide +c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F D84 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one +C1CCN(CC1)C(=[NH2+])N D86 [azanyl(piperidin-1-yl)methylidene]azanium +CCCCc1cc2c3ccccc3nc(c2o1)N D87 2-butylfuro[2,3-c]quinolin-4-amine +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC D88 4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C D89 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one +C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D8A (1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol +Cc1cccc(n1)C#Cc2cccc(c2)OC D8B 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine +Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C D8C n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide +CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O D8D 1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline +Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C D8E ~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide +CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] D8F (4-nitrophenyl) hexanoate +Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F D8G 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC D8H 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +COc1cccc(c1)CNCCS(=O)(=O)O D8I 2-[(3-methoxybenzyl)amino]ethanesulfonic acid +c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F D8J 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol +Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO D8K ~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide +CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O D8L (2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid +c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O D8M 2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide +CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2 D8N ~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide +Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C D8P [(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol +CN1C=C(C=CC1=O)C(=O)NCCN D8Q ~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1ccc2c(c1)ccc3c2sc(c3)C(=O)O D8S benzo[g][1]benzothiole-2-carboxylic acid +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O D8T d-arabinonic acid +[2H+] D8U deuterium(1+) +CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O D8V 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N D8W 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D8X (2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate +c1cc(cc(c1)Cl)CCc2cccnc2N D8Y 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine +C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C D8Z artemether +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D90 n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl D91 5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D92 n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D93 n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7 D94 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine +C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C D95 artesunate +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O D96 n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid +c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5 D97 (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N D98 2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide +CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O D99 (3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl D9A n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid +CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C D9B ~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC D9C 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO D9D (1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O D9F (3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one +CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] D9G n-dodecyl-n,n-dimethylglycinate +c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N D9H 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide +Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2 D9K ~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +CC(=O)NCCSC(=O)CCC(=O)O D9L 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid +c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4 D9M (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC D9N methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O D9O 4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5 D9P 1-desthiobiotinylpyrene +CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 D9Q 1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide +CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4 D9S 2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide +CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N D9T ~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN D9U 1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9V (1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br D9W ~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9Y 1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea +c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DA 2'-deoxyadenosine-5'-monophosphate +c1cc(ncc1N)N DA1 pyridine-2,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C DA2 ng,ng-dimethyl-l-arginine +C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N DA3 (2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid +C#Cc1cccc(c1)S(=O)(=O)N DA4 3-ethynylbenzenesulfonamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br DA5 5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br DA6 6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F DA7 5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O DA8 octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside +C(CS)NC(=O)CN=[N+]=[N-] DA9 2-azido-n-(2-sulfanylethyl)ethanamide +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N DAA 8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride +C(CN)[C@@H](C(=O)O)N DAB 2,4-diaminobutyric acid +CCCCCCC\C=C/C(=O)SCCNC(=O)C DAC 2-decenoyl n-acetyl cysteamine +c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N DAD 2',3'-dideoxyadenosine-5'-triphosphate +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAE o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride +C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O DAF 4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N DAG 4-amino-4,6-dideoxy-beta-d-glucopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O DAH 3,4-dihydroxyphenylalanine +CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO DAI (3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione +Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+] DAJ decarbamoyl-2,7-diaminomitosene +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O DAK 4-(n,n-dimethylamino)cinnamoyl-coa +C[C@H](C(=O)O)N DAL d-alanine +CNC(=C)C(=O)O DAM n-methyl-alpha-beta-dehydroalanine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O DAN 2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +CCCCCCCCCCCC(=O)O DAO lauric acid +c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N DAP 6-amidine-2-(4-amidino-phenyl)indole +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAQ o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride +C(C[C@H](C(=O)O)N)CNC(=[NH2+])N DAR d-arginine +C([C@H](C(=O)O)N)C(=O)O DAS d-aspartic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N DAT 2'-deoxyadenosine-5'-diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O DAU 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose +C(CC[NH3+])CC(=O)O DAV delta-amino valeric acid +c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N DAW n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide +C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br DAX 5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide +C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C DAY 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone +N[Zn]N DAZ diaminozinc +C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3 DB0 n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine +c1cc(c(c(c1)O)O)C(=O)N DB1 2,3-dihydroxybenzamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O DB3 (11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC DB4 (2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O DB5 [(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O DB6 (11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCCOC(=O)c1ccccc1C(=O)OCCCC DB7 dibutyl benzene-1,2-dicarboxylate +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N DB9 2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide +Cc1cccc(c1OCC(=O)O)C DBA (2,6-dimethyl-phenoxy)-acetic acid +CC[C@H](C(=O)O)N DBB d-alpha-aminobutyric acid +C([C@@H]1[C@H](OC(O1)O)CS)S DBC (4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol +c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3 DBD 7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +c1cc(ccc1C(=O)c2ccc(cc2)O)O DBE bis(4-hydroxyphenyl)methanone +c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O DBF dibenzofuran-4,6-dicarboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O DBG 3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester +c1cc(c(c(c1)O)O)C(=O)O DBH 2,3-dihydroxy-benzoic acid +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O DBI phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c2c(c1)OCCO2)CO DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol +CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C DBK (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O DBM 9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine +c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6 DBN 6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole +Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O DBO n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide +c1cc(cc(c1)N)CN DBP 1,3-diaminobenzyl phenylalanine +c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O DBQ debromohymenialdisine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DBR adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O DBS 2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid +CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O DBT 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione +C\C=C(\C(=O)O)/N DBU (2z)-2-aminobut-2-enoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O DBV 15,16-dihydrobiliverdin +c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O DBW 4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol +c1cc(c(cc1O)S(=O)(=O)O)O DBX 2,5-dihydroxybenzenesulfonic acid +c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N DBY 3,5 dibromotyrosine +c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N DBZ 3-(benzoylamino)-l-alanine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DC 2'-deoxycytidine-5'-monophosphate +CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N DC0 n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine +CC1(CC(=O)CC(=O)C1)C DC1 5,5-dimethylcyclohexane-1,3-dione +CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O DC2 n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine +Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N DC3 (2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine +c1ccc2c(c1)c3cc(ccc3o2)Cl DC4 2-chlorodibenzofuran +c1ccc(cc1)c2c(cccc2Cl)Cl DC5 2,6-dichlorobiphenyl +CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O DC7 4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol +c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O DC8 (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCA desulfo-coenzyme a +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F DCB 2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCC dodecyl-coa +CCN(CC)C(=S)S DCD diethylcarbamodithioic acid +C(CCl)Cl DCE 1,2-dichloroethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O DCF 2'-deoxycoformycin +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DCG 2'-deoxy-guanosine-5'-monophosphate +CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4 DCH 3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester +CC[C@H](C)CN DCI 2-methyl-butylamine +C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O DCJ n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium +C[N+](C)(C)C[C@H](CC(=O)O)O DCK (2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium +CC(C)C[C@@H](CO)N DCL 2-amino-4-methyl-pentan-1-ol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DCM 2'-deoxycytidine-5'-monophosphate +c1cc(ccc1Oc2ccc(cc2O)Cl)Cl DCN diclosan +C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O DCO 3,3-dichloro-2-phosphonomethyl-acrylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O DCP 2'-deoxycytidine-5'-triphosphate +CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C DCQ 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione +CCCCCCCCCCCCCCCCCCCC(=O)O DCR icosanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O DCS d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DCT 2',3'-dideoxycytidine 5'-triphosphate +C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N DCU 3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium +CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O DCV [(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid +C1CCC(CC1)NC(=O)NC2CCCCC2 DCW dicyclohexylurea +CCCCCCCCCCP(=O)(C)C DCX decyl(dimethyl)phosphine oxide +C([C@H](C(=O)O)N)S DCY d-cysteine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O DCZ 2'-deoxycytidine +c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F DD1 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N DD2 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N DD3 5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine +Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O DD4 (3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol +c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F DD5 (2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C DD6 (3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4 DD7 (1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5 DD8 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one +CCCCCCCCC DD9 nonane +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O DDA beta-d-olivopyranose +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O DDB 3-methyl-2,6-dideoxy-beta-d-allopyranose +c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O DDC 7-hydroxy-2-phenyl-chroman-4-one +C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O DDD (5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid +C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N DDE {3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium +c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O DDF 5,10-dideazatetrahydrofolic acid +c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N DDG 2',3'-dideoxy-guanosine-5'-monophosphate +Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C DDH [7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron +c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N DDI spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci) +COc1cc(ccc1N)c2ccc(c(c2)OC)N DDJ 3,3'-dimethoxybiphenyl-4,4'-diamine +C(CC[C@@H](C[SeH])C(=O)O)CCN DDK (2r)-7-amino-2-(selanylmethyl)heptanoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O DDL 2,6-dideoxy-beta-d-galactopyranose +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DDM 2-hydroxymethyl-piperidine-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O DDN 3,4-dihydro-2'-deoxyuridine-5'-monophosphate +C(CCO)C[C@H](C(=O)O)N DDO 6-hydroxy-d-norleucine +c1(c(nc(nc1O)N)O)N DDP 2,4-diamino-4,6-dihydroxypyrimidine +CCCCCCCCCC[N+](C)(C)[O-] DDQ decylamine-n,n-dimethyl-n-oxide +CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC DDR (2s)-3-hydroxypropane-1,2-diyl didecanoate +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N DDS 2',3'-dideoxyadenosine triphosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O DDT n,o-didansyl-l-tyrosine +C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O DDU 2'-5'dideoxyuridine +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O DDV (1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C(CC[C@@H](CS)C(=O)O)CCN DDW (2r)-7-amino-2-(sulfanylmethyl)heptanoic acid +C1=C[C@H](O[C@@H]1COP(=O)(O)O)O DDX 2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate +C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DDY 2',3'-dideoxycytosine-5'-diphosphate +[C@H](C(O)O)(C(=O)O)N DDZ 3,3-dihydroxy l-alanine +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN DE0 1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine +CCCCCCCCCCO DE1 decan-1-ol +CC(=O)[C@H](CO)O DE2 1-deoxy-l-erythrulose +CCN(CC)C(=O)c1cccc(c1)C DE3 n,n-diethyl-3-methylbenzamide +c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO DE4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol +c1csc(n1)NC(=O)CN DE5 2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN DE6 1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO DE7 (2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol +Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C DE9 3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid +c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N DEA d-eritadenine +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C DEB 6-deoxyerythronolide b +C(CCCCC(=O)O)CCCC(=O)O DEC sebacic acid +CN(C)CCO[P@@](=O)(O)OP(=O)(O)O DED 2-dimethylamino-ethyl-diphosphate +CCOC(=O)c1c([nH]nc1C)C DEE 3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C DEF deferoxamine mesylate fe(iii) complex +CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DEG butyl alpha-d-mannopyranoside +COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O DEH 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium +CS\C=C(\C(=O)O)/O DEI (2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid +CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3 DEJ tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO DEL 4-deoxylactose +CCCCCCCCCCOCO DEM decyloxy-methanol +c1ccc2c(c1)CC=C2 DEN indene +CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O DEO 2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid +CCOP(=O)OCC DEP diethyl phosphonate +Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N DEQ dequalinium +C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DER d-4-phosphoerythronic acid +CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O DES diethylstilbestrol +CCCCCCCCCCC[N+](C)(C)[O-] DET undecylamine-n,n-dimethyl-n-oxide +Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O DEU co(iii)-(deuteroporphyrin ix) +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3 DEV tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1csc2c1CN(CC2)C(=O)CN DEW 2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C DEX dexamethasone +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N DEY (2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide +C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DEZ 4-phospho-d-erythronate +c1ccc(cc1)c2ccc(cc2F)CC(=O)O DF0 (2-fluorobiphenyl-4-yl)acetic acid +C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O DF1 (2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O DF2 (2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol +c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5 DF3 n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O DF4 (3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate +COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N DF5 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium +COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 DF6 n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide +c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO DF7 [4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol +c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N DF8 (2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N DF9 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)C(c2ccccc2)C(=O)O DFA diphenylacetic acid +c1cc(c(c(c1)F)F)CO DFB 2,3-difluorobenzyl alcohol +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DFC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CCCCCCCCCCOC=O DFD decyl formate +CC(OCC(F)(F)F)(F)F DFE 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N DFF 4-benzoyl-d-phenylalanine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DFG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +CC(c1ccccc1)(c2ccccc2)O DFH 1,1-diphenylethanol +CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N DFI 2,2-difluorostatine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O DFJ n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N DFK d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide +c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O DFL 2-(4-hydroxy-phenyl)-chroman-4-one +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N DFM n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O DFN 3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N DFO 2,2-difluoro-3-hydrostatine +CC(C)OP(=O)OC(C)C DFP diisopropyl phosphonate +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC DFQ (2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide +C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O DFR 3-deoxy-3-methyl-beta-d-fructofuranose +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F DFS 2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide +Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DFT 1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate +C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O DFU (2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol +c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O DFV 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O DFW n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine +C1[C@H]([C@@H]([C@H](CO1)F)O)O DFX 1,5-anhydro-2-deoxy-2-fluoro-d-xylitol +CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4 DFY (5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO DFZ 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DG 2'-deoxyguanosine-5'-monophosphate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O DG0 4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid +c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O DG1 (4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O DG2 (2r)-2,3-diphosphoglyceric acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N DG3 2'-3'-dideoxyguanosine-5'-triphosphate +C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O DG4 phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate +C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O DG6 2-deoxy-glucitol-6-phosphate +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4 DG7 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N DG8 2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N DG9 5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC DGA diacyl glycerol +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 DGB (2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O DGC 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC DGD digalactosyl diacyl glycerol (dgdg) +C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O DGF (2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC DGG 1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol +c1cc(ccc1[C@H](C(=O)O)N)O DGH (2r)-amino(4-hydroxyphenyl)acetic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGI 2'-deoxyguanosine-5'-diphosphate +C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O DGJ (2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol +C(CC(=O)O)[C@H](C(=O)O)N DGL d-glutamic acid +[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DGM d-glucopyranosylium +C(CC(=O)N)[C@H](C(=O)O)N DGN d-glutamine +C1=CO[C@@H]([C@H]([C@@H]1O)O)CO DGO d-glucal +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DGP 2'-deoxyguanosine-5'-monophosphate +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O DGQ (s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid +c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O DGR (e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O DGS 3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGT 2'-deoxyguanosine-5'-triphosphate +C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O DGU d-galacturonic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl DGV 1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide +Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl DGW (5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O DGX digoxin +C([C@H](C(=O)O)O)O DGY (2r)-2,3-dihydroxypropanoic acid +C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O DGZ n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide +COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O DH1 2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine +c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DH2 (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N DH3 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine +CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C DH4 2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N DH5 n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc(cc1)/C=C/C(=O)N DH6 cinnamide +CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C DH7 (6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene +C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4 DH8 (2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate +CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O DH9 (2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid +C=C(C(=O)O)N DHA 2-amino-acrylic acid +c1cc(c(cc1C(=O)O)O)O DHB 3,4-dihydroxybenzoic acid +c1cc(c(cc1\C=C\C(=O)O)O)O DHC caffeic acid +C(C(=O)C(=O)O)C(=O)C(=O)O DHD 2,4-dioxo-pentanedioic acid +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O DHE heme d +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N DHF dihydrofolic acid +CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO DHG phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester +C(CCC(O)O)C[C@@H](C(=O)O)N DHH (s)-2-amino-7,7-dihydroxyheptanoic acid +c1c([nH+]c[nH]1)C[C@H](C(=O)O)N DHI d-histidine +C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O DHJ 4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid +C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O DHK 3-dehydroshikimate +C(CS)N DHL 2-amino-ethanethiol +C[C@H](CCCC(C)(C)O)C=C DHM 2,6-dimethyl-7-octen-2-ol +C(C[C@@H](C(=O)O)N)CO DHN 5-hydroxy norvaline +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DHO deoxycholic acid +CCCCCCCCCCC1=C(C(=O)NC1=O)O DHP 3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline +Cc1cccc2c1CCNC2=O DHQ 3,4-dihydro-5-methyl-isoquinolinone +c1cc(ccc1[C@@H](C#N)O)O DHR (2s)-hydroxy(4-hydroxyphenyl)ethanenitrile +C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O DHS 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DHT 5-alpha-dihydrotestosterone +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O DHU 5,6-dihydrouridine-5'-phosphate +CC(C)([C@H](C(=O)O)N)O DHV 3-hydroxy-d-valine +c1cc(c(cc1CC(=O)O)O)O DHY 2-(3,4-dihydroxyphenyl)acetic acid +C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O DHZ 3,4-dihydro-1h-pyrimidin-2-one nucleoside +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O DI 2'-deoxyinosine-5'-monophosphate +CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O DI0 dirithromycin +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C DI1 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI2 ac-(d)phe-pro-borolys-oh +B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI3 ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh +B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI4 ac-(d)phe-pro-borohomolys-oh +B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI5 ac-(d)phe-pro-borohomoornithine-oh +C(CC(=O)O)[C@H]1C(=O)NC(=O)N1 DI6 3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid +Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O DI7 2,6-dimethyl-l-tyrosine +c1ccc2c(c1)C[C@H](NC2)C(=O)O DI8 (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C1CCC(C1)OP(=O)(N)OC2CCCC2 DI9 dicyclopentyl phosphoramidate +C(CCCCN)CCCN DIA octane 1,8-diamine +CN(C)CCCN DIB 3-amino-(dimethylpropylamine) +c1ccc2c(c1)C(=C(OC2=O)Cl)Cl DIC 3,4-dichloroisocoumarin +c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N DID 4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide +CCc1cccc(c1O)CC DIE 2,6-diethylphenol +c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl DIF 2-[2,6-dichlorophenyl)amino]benzeneacetic acid +C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DIG 2,5-dideoxy-2,5-imino-d-glucitol +c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO DIH 7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +CC(C)OP(=O)(C)OC(C)C DII methylphosphonic acid diisopropyl ester +CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C DIK 5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid +CC[C@@H](C)[C@H](C(=O)O)N DIL d-isoleucine +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O DIM diimidazole lexitropsin +c1cc2cc(ccc2c(c1)O)O DIN 1,6-dihydroxy naphthalene +C1COCCO1 DIO 1,4-diethylene dioxide +CCCCCNCCCCC DIP dipentylamine +C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O DIQ 2-methyl-decahydro-isoquinoline-3-carboxylic acid +C([C@@H](C(=O)O)N)N/C(=N/O)/N DIR 3-{[(e)-amino(hydroxyimino)methyl]amino}alanine +O DIS disordered solvent +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC DIT ditercalinium +c1c(cc(c(c1C(=O)O)O)I)I DIU 2-hydroxy-3,5-diiodo-benzoic acid +CC[C@](C)(C(=O)O)N DIV d-isovaline +CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C DIW 1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium +CNCCCC1CCCC1 DIX methyl(cyclopentyl-propyl)amine +CCCC[C@@H]1CCCNC1 DIY 5-butylpiperidine +c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl DIZ (4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid +c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4 DJ1 tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N DJ2 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O DJ3 5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F DJ4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol +c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl DJ6 2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide +Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl DJ8 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4 DJ9 2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C DJB 3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F DJC 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal +Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N DJD 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O DJE 2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O DJF [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F DJH 2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O DJJ 5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br DJK n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+] DJL (1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium +Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C DJM 2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide +CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO DJN n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO DJO (phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate +c1c(cnc(n1)O)F DJP 5-fluoropyrimidin-2-ol +c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7 DJQ 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC DJR (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate +CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O DJS 2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl DJT (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3 DJU n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O DJV n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F DJW 1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one +CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4 DJX n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine +[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N DJY 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N DJZ 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile +C[C@H](Cc1ccccc1)O DK0 (2~{r})-1-phenylpropan-2-ol +c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl DK1 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid +c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O DK2 2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid +CCCCCCCCC[C@@H](CC(=O)OC)O DK3 methyl (3s)-3-hydroxydodecanoate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F DK4 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F DK5 1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +CCC(O)O DK6 propane-1,1-diol +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O DK7 n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C DK8 2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione +CCCCC(O)O DK9 pentane-1,1-diol +CCCCCCCCCC(=O)O DKA decanoic acid +c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O DKD (2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid +CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O DKE fcmaytansine +CCCCCC(O)O DKF hexane-1,1-diol +Cc1ccnnc1 DKG 4-methylpyridazine +Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C] DKH 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide +c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F DKI 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide +C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C DKJ n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide +[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N DKK n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide +CCCCCCC(O)O DKL heptane-1,1-diol +CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O DKM 5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid +C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C DKN disorazole z +CCCCCCCC(O)O DKO octane-1,1-diol +CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O DKP 2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)Cl)\N DKQ 4-chloranylbenzenecarboximidamide +Cc1ccc(cc1)CNC(=O)c2ccc[nH]2 DKR n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl DKS 2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O DKT 4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O DKU 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl DKV 2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O DKW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKX 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O DKY 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKZ 4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl DL0 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4 DL1 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl DL2 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one +CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 DL3 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C DL4 (14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N DL5 spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O DL6 n-(azidoacetyl)-beta-d-glucopyranosylamine +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C DL7 (5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid +c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O DL8 n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine +c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO DL9 (e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol +C[C@H](C(=O)O)O DLA d-lactic acid +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O DLB 3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid +C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O DLC (3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O DLD 2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside +CC(C)C[C@H](C(=O)O)N DLE d-leucine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O DLF 2-deoxy-alpha-l-fucopyranose +CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O DLG hexyl 3-deoxy-beta-d-galactopyranoside +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl DLH 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F DLI (3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DLJ 2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC DLK 2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione +c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O DLL 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine +c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O DLM 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium +CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N DLN 3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC DLP 1,2-dilinoleoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4 DLR (2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C DLS di-acetyl-lysine +C[N+](C)(CCCC(=O)O)CCF DLT 3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium +C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O DLU (4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide +CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O DLW (5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one +C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C DLX 2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione +C(CCN)C[C@H](C(=O)O)N DLY d-lysine +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C DLZ 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +CN(C)CCCC[C@@H](C(=O)O)N(C)C DM0 n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM1 daunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O DM2 doxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM3 6-deoxydaunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O DM4 1-o-demethyl-6-deoxydoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O DM5 idarubicin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O DM6 4'-epidoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I DM7 4'-deoxy-4'-iododoxorubicin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O DM8 2'-bromo-4'-epidaunorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O DM9 n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin +CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C DMA dimethylallyl diphosphate +Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O DMB 2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid +CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O DMC 3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid +Cc1cc2c(cc1C)nc[nH]2 DMD 5,6-dimethylbenzimidazole +C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C DME decamethonium ion +CN(C)C=O DMF dimethylformamide +CN(C)CC(=O)O DMG n,n-dimethylglycine +CN(C)C(=O)C[C@@H](C(=O)O)N DMH n4,n4-dimethyl-asparagine +Cc1[nH+]ccn1C DMI 2,3-dimethylimidazolium ion +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DMJ 1-deoxymannojirimycin +CC(C)([C@@H](C(=O)O)N)C(=O)O DMK 3,3-dimethyl aspartic acid +[CH3].[CH3] DML terminal dimethyl +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O DMM 3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin +CNC DMN dimethylamine +C(CC(C(F)F)(C(=O)O)N)CN DMO alpha-difluoromethylornithine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O DMP [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O DMQ [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone +C([C@H](C(=O)O)O)C(=O)O DMR 2-hydroxy-succinic acid +CS(=O)C DMS dimethyl sulfoxide +C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O DMT 3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid +CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O DMU decyl-beta-d-maltopyranoside +CC[C@](C)([C@H](C(=O)O)O)O DMV 2,3-dihydroxy-valerianic acid +CC1=C(C(=O)c2ccccc2C1=O)C DMW 2,3-dimethyl-1,4-naphthoquinone +C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1 DMX 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O DMY distamycin a +Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3 DMZ 4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)O DN unknown 2'-deoxynucleotide +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4 DN0 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide +CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN1 3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN2 3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 DN3 3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O DN4 [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DN5 (2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3 DN6 n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +c1ccnc(c1)Oc2ccc(cc2)C(=O)O DN7 4-[(pyridin-2-yl)oxy]benzoic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3 DN8 3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O DN9 (2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)O DNA 1,4-dihydroxy-2-naphthoic acid +c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N DNB (2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol +c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-] DNC 3,5-dinitrocatechol +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O DND nicotinic acid adenine dinucleotide +CCCC[C@H](C(=O)O)N DNE d-norleucine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O DNF 2,4-dinitrophenol +CCCC[C@H](C(=O)O)NC=O DNG n-formyl-d-norleucine +C1CC[C@H]([C@@H](C1)N)N DNH 1r,2r-diaminocyclohexane +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DNJ 1-deoxy-nojirimycin +CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DNK (2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +C(CCC=O)CCN DNL 6-amino-hexanal +CCCC[C@H](C(=O)O)NC DNM n-methyl-d-norleucine +C[C@@H]([C@@H](CCCCCC(=O)O)N)N DNN 7,8-diamino-nonanoic acid +C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O DNO d-mannose +C([C@@H](C(=O)O)N)[NH3+] DNP 3-amino-alanine +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-] DNQ 6,7-dinitroquinoxaline-2,3-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O DNR 2'-deoxy-n3-protonated cytidine-5'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N DNS n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine +CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] DNT 2-[1-methylhexyl]-4,6-dinitrophenol +Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DNV 2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N DNW 3-[(2,4-dinitrophenyl)amino]-l-alanine +c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-] DNX 3,4-dinitrophenol +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl DNY 2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N DNZ (2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DO1 2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C(CC(C=O)(O)O)[C@@H](C(=O)O)N DO2 5,5-dihydroxy-6-oxo-l-norleucine +C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O DO3 10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid +C(CC(=O)C(=O)O)C=O DO4 2,5-dioxopentanoic acid +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O DO5 (2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC DO6 (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O DO7 [(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O DO8 3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid +c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4 DO9 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea +C(CCCCCC(=O)O)CCCCCN DOA 12-amino-dodecanoic acid +c1cc(c(cc1O)O)C(=O)O DOB 2,4-dihydroxybenzoic acid +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N DOC 2',3'-dideoxycytidine-5'-monophosphate +[2H]O[2H] DOD deuterated water +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO DOE (s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-] DOF (s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O DOG digoxigenin +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N DOH beta-hydroxy aspartic acid +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DOI 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine +C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3 DOJ n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DOK (2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C DOL 5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O DOM 2'-deoxymaltose +C(CC(=O)CN=N)[C@@H](C(=O)O)N DON 6-diazenyl-5-oxo-l-norleucine +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5 DOO 6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CCCCCCCCOP(=O)(O)OCCCCCCCC DOP dioctylphosphate +C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O DOQ (2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid +C1[C@H](NC(=O)NC1=O)C(=O)O DOR (4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DOS delta-bis(2,2'-bipyridine)imidazole osmium (ii) +c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N DOT 3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate +CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N DOV 1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O DOW (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside +C1COCCO1 DOX dioxane +c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O DOY [(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid +CN(C)[Zn]O DOZ (dimethylamino)(hydroxy)zinc' +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O DP [(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C DP0 disopyramide +C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-] DP1 l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide +C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N DP2 l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide +C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-] DP3 n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine +C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-] DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O DP5 1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop yranose +C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O DP6 (3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid +[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C DP7 ac-(d)phe-pro-boroarg-oh +CN(C)CCOc1ccc(cc1)Oc2ccccc2 DP8 n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine +C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N DP9 l-n(omega)-nitroarginine-(4r)-amino-l-proline amide +COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O DPA 4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate) +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O DPB (s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C DPC 5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid +CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3 DPD n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine +CCCCCCCCCCC[P@@H](=O)OC DPE n-undecanylphosphonate methyl ester group +CCOP(=O)(O)OCC DPF diethyl hydrogen phosphate +CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C DPG phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester +C[C@@H](Cc1ccccc1)C(=O)O DPH deamino-methyl-phenylalanine +CCOP(=S)(O)OCC DPJ o,o-diethyl hydrogen thiophosphate +C[C@H](Cc1ccccc1)N(C)CC=C DPK deprenyl +C1[C@H](NCC1=O)C(=O)O DPL 4-oxoproline +Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O DPM 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +c1ccc(cc1)C[C@H](C(=O)O)N DPN d-phenylalanine +[O-]P(=O)([O-])OP(=O)([O-])[O-] DPO diphosphate +C([C@@H](C(=O)O)N)N DPP diaminopropanoic acid +C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O DPQ (s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid +C1C[C@@H](NC1)C(=O)O DPR d-proline +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O DPS 3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid +Cc1ccnc2c1ccc3c2nccc3C DPT 4,7-dimethyl-[1,10]phenanthroline +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N DPU mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid +CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C DPV dodecyl 2-(trimethylammonio)ethyl phosphate +CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C DPW decyl 2-trimethylazaniumylethyl phosphate +Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C DPX mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester +c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O DPY 2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate +c1c(cc(c2c1C(=O)NNC2=O)N)N DPZ 3,5-diaminophthalhydrazide +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O DQ0 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid +CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N DQ1 ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate +c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DQ2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl DQ3 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O DQ5 2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol +Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ6 (2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ7 (2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN DQ8 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O DQ9 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid +C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O DQA 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid +c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N DQB 4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid +CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F DQD n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O DQF 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DQG 2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DQH (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3 DQJ n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O DQK (2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid +c1c(cc2c(c1O)nc(s2)N)S DQL 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DQM (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC1=C(C(=O)C(=C(C1=O)C)C)C DQN duroquinone +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl DQO 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br DQP {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DQQ 2,5-dideoxy-2,5-imino-d-mannitol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O DQR beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C DQS 5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O DQT methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside +c1cc2c(cc1N)c(nc(n2)N)O DQU 2,6-diamino-3h-quinazolin-4-one +c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O DQV [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@@H](COC[C@H](C)O)O DQW (2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol +c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F DQX 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline +CS(C)CCC(=O)O DQY 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid +c1cc(ccc1CCC(=O)O)Br DQZ 3-(4-bromophenyl)propanoic acid +CCCCCC[N+](C)(C)CO DR0 n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium +Cn1c2ccccc2cc-3nc4ccccc4c13 DR1 5-methyl-5h-indolo[3,2-b]quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O DR2 6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose +CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O DR3 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O DR4 methyl 9-(beta-d-talopyranosyloxy)nonanoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O DR5 methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO DR6 alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl) +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC DR7 (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester +CC#CC#CC#C[N+](C)(C)C DR8 n,n,n-trimethylhepta-1,3,5-triyn-1-aminium +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC DR9 1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O DRA 11-deoxy-beta-rhodomycin +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 DRB delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N DRC 9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5 DRD 2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid +C(CCCNCCCCCCN)CCN DRE n-(6-aminohexyl)hexane-1,6-diamine +CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O DRF (2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid +c1ccc-2c(c1)CCc3c2nnc(c3)N DRG 5,6-dihydro-benzo[h]cinnolin-3-ylamine +CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRH (2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC DRI 2,6-dideoxy-4-o-methyl-beta-d-glucopyranose +CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRJ (2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O DRK 3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one +CC1=NC2=C(CSCC2)C(=O)N1 DRL 2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one +C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O DRM {[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid +[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C DRN bisindolylmaleimide ix +Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl DRO 1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide +c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DRP 2-deoxyribofuranosyl-pyridine-5'-monophosphate +CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DRQ (9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C DRR (9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O DRS (9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O DRT 2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DRU delta-bis(2,2'-bipyridine)imidazole ruthenium (ii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N DRV [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DRW (2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O DRX [(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5 DRY [(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid +C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O DRZ 3',4'-dihydroxy-pentanal-5'-phosphate +C1[C@H](C(=NO1)OP(=O)(O)O)N DS0 [(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate +c1c(cnc(n1)N)O DS1 2-aminopyrimidin-5-ol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O DS2 {4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid +CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O DS3 5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O DS4 [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid +CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS5 (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS6 (4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid +Cc1cc(c(n1C)C)C(=O)O DS7 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O DS8 (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F DS9 (2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one +C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DSA 4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O DSB 4,7-dioxosebacic acid +CCCCCCCCCCCCS(=O)(=O)[O-] DSC dodecanesulfonate ion +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N DSD 7-(carboxyamino)-8-amino-nonanoic acid +CN[C@H](CO)C(=O)O DSE n-methyl-d-serine +[C@H](C(F)(F)F)(OC(F)F)F DSF (2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane +C([C@H](C(=O)O)N)C(=O)N DSG d-asparagine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N DSH 5'-s-(3-aminopropyl)-5'-thioadenosine +C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4 DSI 4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +CC(=O)c1ccc(cc1O)N DSJ 1-(4-amino-2-hydroxyphenyl)ethan-1-one +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O DSK (2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name) +CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C DSL mono-trans, octa-cis decaprenyl-phosphate +CNCCCN1c2ccccc2CCc3c1cccc3 DSM 3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine +C([C@H](C(=O)O)N)O DSN d-serine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DSO adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide +C([C@H](C(=O)O)N)C(=O)O DSP d-aspartic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O DSQ (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S DSR 2,6-dideoxy-4-thio-beta-d-allopyranose +CSC[S@@](=O)C DSS methyl methylsulfinylmethyl sulfide +CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C DST dimethylallyl s-thiolodiphosphate +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O DSU ((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 DSV n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC DSX batimastat +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O DSY 5-(dimethylamino)-2-naphthalenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N DSZ 5'-o-(l-alpha-aspartylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DT thymidine-5'-monophosphate +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DT0 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N DT1 4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N DT2 4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S DT3 (2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N DT4 4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N DT5 4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO DT6 2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose +COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N DT7 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1 DT8 n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC DT9 (1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N DTA (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol] +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O DTB 6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid +c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O DTC bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone] +C1[C@@H]([C@H](CSS1)O)O DTD dithiane diol +c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N DTE 7-cl-d-tryptophan +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O DTF 4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid +CC(C)(C)CC(=O)O DTG des-amino t-butyl glycine +C[C@@H]([C@H](C(=O)O)N)O DTH d-threonine +Cc1csc[n+]1C DTI 3,4-dimethylthiazolium ion +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C DTJ 4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O DTK (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C([C@@H]([C@H](CO)O)O)O DTL l-treitol +CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N DTM 2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +[O-]S(=O)S(=O)[O-] DTN dithionite +C([C@H]([C@@H](CSO)O)O)S DTO 1-hydroxysulfanyl-4-mercapto-butane-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N DTP 2'-deoxyadenosine 5'-triphosphate +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O DTQ 4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N DTR d-tryptophan +c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O DTS 2-{[(s)-phenylsulfinyl]methyl}benzoic acid +C([C@@H]([C@H](CS)O)O)S DTT 2,3-dihydroxy-1,4-dithiobutane +C([C@H]([C@H](CS)O)O)S DTU (2r,3s)-1,4-dimercaptobutane-2,3-diol +C([C@H]([C@@H](CS)O)O)S DTV (2s,3s)-1,4-dimercaptobutane-2,3-diol +c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DTW [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O DTX digitoxigenin +c1cc(ccc1C[C@H](C(=O)O)N)O DTY d-tyrosine +S[Zn]S DTZ zinc(ii)hydrogensulfide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O DU 2'-deoxyuridine-5'-monophosphate +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1 DU0 2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol +CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride +Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU2 2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine +c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU3 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine +C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4 DU4 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine +c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3 DU5 ~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide +c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4 DU6 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea +Cc1cc(nc(n1)N)Cl DU7 4-chloro-6-methylpyrimidin-2-amine +c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N DU8 3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C DU9 6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O DUA 2',5'-dideoxy-5'-(tritylamino)uridine +c1cc(c(c(c1)Cl)O)Cl DUB 2,6-dichlorophenol +C1CNC(=O)NC1=O DUC dihydropyrimidine-2,4(1h,3h)-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O DUD deoxyuridine-5'-diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN DUE (2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid +c1cc(c(cc1OCC=O)Cl)F DUG (3-chloro-4-fluorophenoxy)acetaldehyde +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F DUH 2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide +C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1 DUK (2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide +CCSc1cccc(c1)c2ccc(s2)C(=O)N DUL 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide +* DUM dummy atoms +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O DUN 2'-deoxyuridine 5'-alpha,beta-imido-diphosphate +C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DUO 4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O DUP 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO DUQ (2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O DUR 2'-deoxyuridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O DUS 2'-deoxy-5'-o-sulfouridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O DUT deoxyuridine-5'-triphosphate +[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DUU 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine +C#CCCC[C@H](C=O)C(=O)O DUV (2r)-2-methanoylhept-6-ynoic acid +c1ccc(cc1)C[C@H](C=O)C(=O)O DUW (2r)-2-methanoyl-3-phenyl-propanoic acid +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F DUX 2,3-deoxy-3-fluoro-5-o-trityluridine +CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O DUY (2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid +c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DUZ 5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN DV0 1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O DV1 (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O DV2 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)S DV3 1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol +CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C DV4 4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O DV6 [(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium +c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N DV7 l-(7-hydroxycoumarin-4-yl)ethylglycine +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV8 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide +C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N DV9 (2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid +CC(C)[C@H](C(=O)O)N DVA d-valine +C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O DVC (2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1 DVD n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C DVE obtusifoliol +C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO DVG divanadate glycerol ester +C=C[C@@H]1CC[C@@H]([C@H](C1)O)O DVH (1s,2s,4r)-4-ethenylcyclohexane-1,2-diol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1 DVJ n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C1CN(CCN1CCCCN)CCO DVK 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol +Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O DVL 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde +CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N DVM acetylsisomicin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N DVN [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DVP methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate +C1CN(CCN1CCO)CCO DVQ 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol +c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O DVR 3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid +[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-] DVT decavanadate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C DVW five-coordinate platinum(ii) compound +[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F DVX [(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate +c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DVZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C DW0 1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O DW1 ruthenium pyridocarbazole +c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O DW2 ru-pyridocarbazole-2 +C(C=O)O DW3 2-oxidanylethanal +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW4 benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C DW5 five-coordinate platinum(ii) compound +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW7 benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O DW8 [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O DW9 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol +COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F DWA (4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine +COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl DWB (4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O DWC pyridocarbazole cyclopentadienyl os(co) complex +CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 DWD (4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWE [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F DWF n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5 DWG (6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N DWH methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate +C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5 DWJ (5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWK [2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 DWM (7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N DWN (2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4 DWP (6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWQ [2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5 DWS 3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid +Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DWT 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2 DWV (5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one +B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWW [2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWX [3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWY [4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C DWZ (2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O DX [(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O DX0 steviolmonoside +CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C DX1 6,7-bis(1-methylethyl)pteridine-2,4-diamine +c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N DX2 6-phenylpteridine-2,4,7-triamine +CC1=Nc2c(nc(nc2NC1(C)C)N)N DX3 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine +c1[nH]c2c(n1)C(=S)NC(=N2)N DX4 2-amino-1,9-dihydro-6h-purine-6-thione +C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O DX5 d-xylitol-5-phosphate +c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N DX6 2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX7 2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX8 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O DX9 (2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid +CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC DXA 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC DXB 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DXC (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXD (1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +COCCOC DXE 1,2-dimethoxyethane +CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O DXF (2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O DXG 4-deoxyglucarate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DXH 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(=CCC/C(=C/C=C/C(=O)C)/C)C DXJ (3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one +Cn1c2c(cn1)c(nc(n2)c3cccnc3)N DXK 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine +[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O DXL d-xylaric acid +Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DXM n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXN (1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C DXO 2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine +CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O DXP 1-deoxy-d-xylulose-5-phosphate +C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C DXQ 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N DXR 3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C DXS 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide +C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O DXT (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O DXU (3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O DXV 2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3 DXW 6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C(=O)O)C(=O)O DXX methylmalonic acid +CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXY n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXZ n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +[Dy+2] DY dysprosium ion +C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O DY1 [(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid +Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O DY2 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol +Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO DY3 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol +Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DY4 n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F DY5 (2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one +c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O DY6 2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid +Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br DY7 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2 DY8 morpholinohistidine +C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O DY9 fluostatin c +C(=C(/C(=O)O)\N)\C(=O)O DYA didehydroaspartate +B1(OCCO1)OCCCC[NH3+] DYB 4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium +c1cc(ccc1c2csc3n2ccn3)Br DYC 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole +C[C@@H](CC[C@H](C)O)O DYD (2s,5s)-hexane-2,5-diol +CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O DYF [(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O DYG (3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid +CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O DYH (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O DYJ 1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5 DYK n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine +C=CC[C@H](C(=O)O)N DYL (2r)-2-aminopent-4-enoic acid +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O DYM (2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO DYN 5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine +CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DYP 1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one +c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N DYR 2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN DYS s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine +c1c([nH]cn1)C[C@@H](C(=O)O)Cl DYT (2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C DYU ~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O DYV 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline +C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O DYW (2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl DYX 1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide +c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F DYY 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3 DYZ 7-ethyl-3-(phenylmethyl)purine-2,6-dione +C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O DZ [(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O DZ0 (2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C DZ1 n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide +c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl DZ2 2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br DZ3 n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N DZ4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +c1cc(ccc1/C=C(/C(=O)O)\S)F DZ5 (2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N DZ6 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide +COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2 DZ7 (2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4 DZ8 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N DZ9 3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide +CN(C)NC(=O)CCC(=O)O DZA daminozide +c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3 DZB n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5 DZC 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide +c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O DZD 5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C DZE methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N DZF 5-deazafolic acid +COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4 DZG 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5 DZH ~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide +c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O DZI 3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide +c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O DZJ 3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one +c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O DZK (2~{s})-2-(phenylmethylsulfanyl)butanedioic acid +CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5 DZL 2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide +Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DZM 3-deaza-3-methyladenine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O DZN daidzin +c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl DZO 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine +CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl DZP 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one +CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F DZR ~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide +c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl DZS 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid +CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZT (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol +Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6 DZU 8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl DZV 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one +CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZW (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol +C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O DZX deoxy-galacto-noeurostegine +Cc1c(nc(s1)C)CC(=O)O DZY (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid +COP(=S)(O)OC DZZ o,o-dimethyl hydrogen thiophosphate +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O E n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate +C[N+](C)(C)Cc1ccccc1 E00 benzyltrimethylammonium +C1CC2(CCC1N)C3CC4CC(C3)CC2C4 E01 (1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl E02 5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide +c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N E03 6-fluoro-d-tryptophan +CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C E04 3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran +CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E05 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol +[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O E06 [(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O E07 trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron +[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O E08 trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron +Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO E09 3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol +CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC E0A n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C E0B n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br E0C 5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide +CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O E0D (3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid +CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E0E (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol +CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4 E0F ~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C E0G 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl E0H 5-(3,4-dichlorophenyl)furan-2-carboxylic acid +Cc1cc(ccc1OCc2ccccn2)OC E0J 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine +Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4 E0K (2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O E0L 3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4 E0M 2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one +CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl E0N (2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)Cl E0O 2-(4-chloranylphenoxy)-2-methyl-propanoic acid +CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C E0P ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O E0Q 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O E0R 4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4 E0S 2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide +c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O E0T 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O E0U 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid +CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1 E0V 4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine +[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O E0Y (3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl E0Z 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E10 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC E11 n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E12 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C E13 n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide +CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E14 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E15 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E16 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C E17 n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide +CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 E18 2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate +C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O E1B 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid +CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O E1C 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E1D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C E1E 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N E1F 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2 E1G 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +[H]/N=C\C E1H ethanimine +COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3 E1J n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide +C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl E1K 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F E1L n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide +C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4 E1M (2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1 E1N 12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O E1O (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid +CCOC(=O)C(=O)N1CCCCC1 E1P ethyl oxo(piperidin-1-yl)acetate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O E1R (2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid +Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E1S n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine +c1cc2ccc(nc2nc1)C(=O)O E1T 1,8-naphthyridine-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O E1U (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3 E1W 6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one +CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O E1X phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester +C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C E1Z s-trichostatin a +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4 E20 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine +CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C E21 21-hydroxy-oligomycin +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3 E22 (2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide +CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F E23 n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F E24 n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide +CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C E26 (4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione +c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl E27 2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2 E28 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2 E29 (2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O E2B 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl E2C 5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4 E2F 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine +Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O E2G (2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide +CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E2I 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3 E2J 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one +c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N E2K 4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4 E2L 2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine +c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 E2M cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid +Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F E2N 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4 E2O 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine +CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O E2P prostaglandin b2 +c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] E2Q 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N E2R 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C E2T ~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN E2U 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine +CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC E2V (2r)-2-(hexadecanoyloxy)propyl nonadecanoate +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O E2W 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol +c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4 E2X 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine +c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3 E2Z 2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine +c1cc(ccc1c2[nH]nnn2)N E30 4-(1h-tetrazol-5-yl)aniline +CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N E31 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide +c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5 E32 7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC E33 (8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +CCOC(=O)c1ccc(c(c1)N)N E34 ethyl 3,4-diaminobenzoate +CCOC(=O)c1cc(cc(c1)O)O E35 ethyl 3,5-dihydroxybenzoate +c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl E36 2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N E37 n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine +c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl E38 5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F E39 (2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole +c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F E3A 1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione +CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C E3B 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone +CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N E3C 3-ethyl, cytidine-5'-monophosphate +Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C E3D dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium +c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5 E3E 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC E3F (8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E3G estrone beta-d-glucuronide +CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C E3H ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide +c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E3K azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N E3M (1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F E3N 1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O E3O (16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol +c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E3P n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C E3Q 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one +CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC E3S (1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C E3T ~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O E3U (6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one +CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C E3V {cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid +CN1CCC(=CC1)c2ccc(cc2)O E3X 4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol +COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl E3Y 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine +C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl E3Z ~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide +CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC E40 (2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide +CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 E41 n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide +c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N E42 (r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid +O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3 E43 12-polytungstate +COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl E44 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine +c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2 E46 n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C E48 6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C E49 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O E4A (4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CCOC(=O)c1ccc(cc1)O E4B ethyl 4-hydroxybenzoate +c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O E4D (2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol +CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O E4E 6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN E4F 5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O E4G (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C E4H (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O E4J 2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide +Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O E4K 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid +CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC E4L ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate +C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C E4M 1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +CC[N+](CC)(CC)CC E4N tetraethylammonium ion +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O E4O (2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide +C([C@H]([C@H](C=O)O)O)OP(=O)(O)O E4P erythose-4-phosphate +Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O E4Q 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O E4R (3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol +COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F E4S 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide +CC1CC(CC(C1)(O)O)(O)O E4T 5-methylcyclohexane-1,1,3,3-tetrol +B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O E4U [(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid +c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N E4V 4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine +Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl E4W azd5991 +C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br E4X 4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O E4Y (2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide +c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O E4Z baloxavir acid +CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl E50 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O E51 (2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide +CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O E52 methylated ruthenium pyridocarbazole +C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC E53 everolimus +CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC E55 3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose +c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N E56 3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile +CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C E57 n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E59 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O E5A (10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione +CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5C (3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C E5D (9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +c1cc(c(cc1[C@H](C[NH3+])O)O)O E5E noradrenaline +C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O E5G 5-hydroxypentyl alpha-d-glucopyranoside +c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3 E5H 2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide +CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl E5J 5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC E5K 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone +CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC E5L 2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide +C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E5M (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +C[C@H](CCC(=O)O)C(=O)O E5N (2~{r})-2-methylpentanedioic acid +CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br E5O 2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine +C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5 E5P (9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O E5Q 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol +C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5R (3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O E5S (3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O E5T 3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +COC(C(=O)O)C(=O)O E5U 2-methoxypropanedioic acid +COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O E5V (4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F E5W 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +c1cc(ccc1CO)C(=O)O E5X 4-(hydroxymethyl)benzoic acid +CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O E5Y (5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N E5Z ~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide +C1C(=O)NC(=S)S1 E60 2-sulfanylidene-1,3-thiazolidin-4-one +C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E61 (10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O E62 (3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O E63 6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one +CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O E64 n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine +Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C E65 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN E67 7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N E68 ~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide +[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O E69 n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide +c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br E6A (2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N E6B ~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide +CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O E6C n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane +CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O E6D ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 E6E 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +C1CC[C@@H]([C@H](C1)C(=O)O)N E6F (1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E6G 6-ethyl, guanosine-5'-monophosphate +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O E6J (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O E6K 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid +COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4 E6L 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide +C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E6M (10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-] E6N (4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one +C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl E6O 5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide +C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O E6P (10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6Q 3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C E6R 1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C E6S (3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6T 3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one +c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O E6U n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C E6V (3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4 E6W 2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C E6Y (5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4 E6Z 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide +COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O E70 n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide +c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5 E71 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN E72 7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O E74 (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O E75 trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol +CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O E77 (4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C E78 ~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C[C@H](CC(=O)O)N[C@@H](C(=O)O)O E79 (3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid +C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O E7A (10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide +C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C E7B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C E7C methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC E7D n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide +c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN E7E ~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide +c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O E7F 1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one +CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E7G 7-ethyl, guanosine-5'-monophosphate +c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N E7H 4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide +CC(C)C[C@H](C(=O)SCCNC(=O)C)N E7L s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5 E7M 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide +CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 E7N ~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide +C(CP(=O)(O)O)[C@@H](C(=O)O)N E7P (2s)-2-amino-4-phosphonobutanoic acid +CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O E7Q ~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide +CCCn1cnc2c1C(=O)N(C(=O)N2C)C E7R 1,3-dimethyl-7-propyl-purine-2,6-dione +Cc1cc2c(cc1C)nc([nH]2)CO E7S (5,6-dimethyl-1h-benzimidazol-2-yl)methanol +CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O E7T 5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one +C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1 E7U (1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol +CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl E7V 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN E7W (1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N E7X (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO E7Y (5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide +CN1C=C(C(=O)C=C1C(=O)O)O E7Z 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid +CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O E80 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN E82 3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide +CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3 E83 2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3 E84 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate +c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl E86 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC E87 (2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate +CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN E88 (2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid +COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 E89 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN E8B ~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide +CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F E8C (2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3 E8E (2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8F (2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8G (2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O E8H 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC E8J (1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4 E8K [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate +CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O E8L 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO E8M (3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide +CCC1(CCCCC1)C E8N 1-ethyl-1-methyl-cyclohexane +CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O E8O 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O E8P (2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC E8Q 2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid +Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO E8R (2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO E8S n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide +C(CC(=O)O)[C@H](CC(=O)C(=O)O)O E8U (4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid +c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) +CC(C)O[P@](=O)(C)OC E8W 2-[methoxy(methyl)phosphoryl]oxypropane +CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E8X (2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O E8Z ~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E90 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O E91 4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl E92 ~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N E94 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile +Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N E95 7-methyl-l-tryptophan +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O E96 4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene] +CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C E97 [3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F E98 ~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide +C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C E9A [(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate +C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N E9C (2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC E9D heteroaryldihydropyrimidine tetramethylrodamine +CCO[P@](=O)(C)OC E9E 1-[methoxy(methyl)phosphoryl]oxyethane +C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5 E9F 4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine +C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O E9G {hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid +CCCCCCCCCCCCCCCCOP(=O)(O)O E9H hexadecyl dihydrogen phosphate +C[C@@H](c1ccccc1)NC(=O)C(=O)O E9J oxo{[(1s)-1-phenylethyl]amino}acetic acid +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO E9K (1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C E9L (1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium +CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O E9M n-methyl-l-tryptophan +c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O E9N (2~{r})-2-(phenylmethylsulfanyl)butanedioic acid +CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E9O (2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +CCc1ccc(c(c1)O)Oc2ccccc2 E9P 5-ethyl-2-phenoxyphenol +C1CCN(C1)c2c(c([nH]n2)N)C#N E9Q 5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile +c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O E9R (2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid +c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O E9S (2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O E9T 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O E9U (2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid +CN[C@@H](Cc1cnc[nH]1)C(=O)O E9V n-methyl-l-histidine +C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E9W azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C E9X 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC E9Y 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl E9Z 5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine +CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C EA0 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide +c1cn2cnc3c(c2n1)nc[nH]3 EA1 3h-imidazo[2,1-i]purine +C(CO[P@@](=O)(O)OP(=O)(O)O)N EA2 aminoethanolpyrophosphate +c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO EA3 4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCOC(=O)CNC(=O)NCc1ccc(cc1)N EA4 ethyl n-[(4-aminobenzyl)carbamoyl]glycinate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O EA5 (4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C EA6 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C EA7 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EA9 (4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O EAA ethacrynic acid +c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O EAB (3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +CCOC(=O)CC(=O)C EAC ethyl 3-oxobutanoate +CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O EAD {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC EAE (1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one +CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EAF (4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O EAG 2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O EAH (5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid +COc1ccccc1c2cccc(c2)C(=O)O EAJ 3-(2-methoxyphenyl)benzoic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O EAL 1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline +CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C EAM 2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O EAN [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C EAO 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione +C(=COP(=O)(O)O)N EAP 2-amino-vinyl-phosphate +CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4 EAQ 6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide +CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl EAR ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAS 5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O EAT (2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N EAU 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide +Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAV n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide +c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br EAW n-(2-bromophenyl)pyrrolidine-1-sulfonamide +C([C@H]([C@H](C(=O)O)O)O)O EAX (2r,3r)-2,3,4-trihydroxybutanoic acid +[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O EAY (2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N EAZ (2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F EB0 1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O EB1 seocalcitol +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4 EB2 n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4 EB3 n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O EB4 n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) +CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC EB5 n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4 EB6 methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F EB7 2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC EB8 methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4 EB9 n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide +Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3 EBB 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one +C(CNC(=O)CI)NC(=O)CI EBC n,n'-ethane-1,2-diylbis(2-iodoacetamide) +Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N EBD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO EBE (2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide +COc1ccc2c(c1)OC(=O)C=C2 EBF 7-methoxychromen-2-one +C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EBG 2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside +C[C@@H](CBr)O EBH (2s)-1-bromopropan-2-ol +C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F EBI 1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide +c1c([nH]nn1)S EBJ 1h-1,2,3-triazole-5-thiol +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl EBK 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CC(C)NC(=O)c1ccccc1I EBM 2-iodo-n-(1-methylethyl)benzamide +[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl EBN (s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide +Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O EBO (2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid +CCOP(=O)(Cc1ccc(cc1)C)OCC EBP diethyl 4-methylbenzylphosphonate +C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O EBQ (3s)-3-hydroxybutyl alpha-d-glucopyranoside +CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O EBR [(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate +CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O EBS 3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium +CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O EBT n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine +[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O EBU pepide inhibtor +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N EBV (2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one +C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C EBW 4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium +CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C EBX 4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EBY n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide +c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-] EC0 7-chloranyl-5-nitro-quinolin-8-ol +c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O EC2 (2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl EC3 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EC4 6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5 EC5 (2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O EC6 n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC EC7 (s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide +c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O EC8 n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3 EC9 n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide +c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O ECA n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide) +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ECB 1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C(CC(=O)N)[C@@H](CO)N ECC (4s)-4-amino-5-hydroxypentanamide +C1[C@H](NC(=[NH2+])N1)CCC(=O)O ECD (4r)-4-(2-carboxyethyl)imidazolidin-2-iminium +C1CCC(=O)OCC1 ECE caprolactone +c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N ECF 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC ECG 3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C ECH beta,beta-caroten-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N ECI [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N ECJ (5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate +c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECL 1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl ECM 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid +c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECN 1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O ECO estradiol-6 carboxyl-methyl-oxime +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C ECP (2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O ECQ (3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one +c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F ECR 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O ECS 2,3,17beta-trihydroxy-1,3,5(10)-estratriene +Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC ECT ecteinascidin 743 +c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br ECU 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol +CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F ECV 2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +CCSC[C@@H](C(=O)O)N ECX s-ethyl-l-cysteine +Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C ECY 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid +COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F ECZ 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O ED1 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED2 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C ED3 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C ED4 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C ED5 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED7 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide +CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F ED8 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C ED9 (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O EDA 3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate +c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N EDB 2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide +c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O EDC n3,n4-etheno-2'-deoxycytidine-5'-monophosphate +CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N EDD 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide +[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N EDE edeine b +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C EDF (3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one +C1[C@@H]([C@H]([C@@H](N1)CO)O)O EDG 1,4-dideoxy-1,4-imino-l-arabinitol +CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N EDH n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI EDI 2'-deoxy-1-(2-iodoethyl)inosine +CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br EDJ 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid +CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4 EDK (2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid +CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C EDM 6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine +C(CN)N EDN ethane-1,2-diamine +C(CO)O EDO 1,2-ethanediol +CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC EDP 5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CC[N+](C)(C)c1cccc(c1)O EDR edrophonium ion +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O EDS (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide +C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O EDT {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O EDU 2'-deoxy-5-ethynyluridine +C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O EDV 1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 EDX (2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid +c1ccc(c(c1)CCO)NC(=O)Nc2cnns2 EDZ 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea +CCC[C@H](C(=O)O)N EE0 (2~{r})-2-azanylpentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N EE1 (3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O EE2 (2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N EE3 (2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid +CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC EE4 n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide +CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O EE5 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid +CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C EE6 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one +Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EE7 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCOc1ccc(cc1Cl)NC(=O)C EE8 ~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C EE9 (3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEA n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EEB uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid +c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEC n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide +C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC EED (9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol +CCOC(=O)C EEE ethyl acetate +c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEF n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEG n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC EEH n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide +CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl EEJ methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate +c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl EEK ~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide +C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O EEL (2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid +C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EEM [(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O EEN 2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O EEO (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid +C[C@@](C[C@@H](C(=O)O)N)(CO)O EEP (2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O EEQ 2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O EER (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O EES 3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol +CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O EET (5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O EEU estradiol-pyridinium tetraacetic acid +Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EEV 4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC EEW [(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid +C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O EEX (1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl EEY 2-chloro-5-nitro-n-(pyridin-4-yl)benzamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl EEZ ~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O EF0 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid +CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O EF1 (2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O EF2 s-thalidomide +[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C EF3 (e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C EF4 oligomycin c +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4 EF5 2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide +c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl EF6 n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N EF8 6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium +C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O EF9 (3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid +C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N EFA 5'-deoxy-2-ethynyl-5'-fluoroadenosine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFB oligomycin b +C(CSSC[C@@H](C(=O)O)N)F EFC s,s-(2-fluoroethyl)thiocysteine +Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F EFD avacopan +C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O EFE enantio-pyochelin fe(iii) +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N EFF 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide +c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F EFG 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one +O[Mo]=O EFK oxidanyl(oxidanylidene)molybdenum +CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C EFL 5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C EFM 5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C EFN 5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFO oligomycin a +CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC EFP n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide +COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O EFQ n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N EFR 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide +CCOP(=O)(O)O EFS ethyl dihydrogen phosphate +c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N EFT (2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4 EFU n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide +COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N EFV {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile +c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O EFW 6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide +COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O EFX 3-(3-methoxycarbonylphenyl)benzoic acid +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 EFY n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F EFZ (-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O EG0 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid +c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N EG1 aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N EG2 aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N EG3 phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6 EG5 (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O EG6 n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine +Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F EG7 (2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid +c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3 EG8 n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine +CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O EGA ethyl beta-d-galactopyranoside +CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C EGB (4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO EGC 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol +[H]/N=C(\N)/NCC EGD n-ethylguanidine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O EGE 4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid +Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4 EGF ~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O EGG (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br EGH (4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one +C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O EGJ (2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid +C(CO)O EGL ethylene glycol +CCc1ccc(cc1)C(=O)O EGM 4-ethylbenzoic acid +CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 EGN 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one +Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4 EGO 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid +CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6 EGP n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea +CCOC(=O)c1cc(c(c(c1)O)O)O EGR ethyl 3,4,5-trihydroxybenzoate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O EGT 2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol +CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl EGU 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid +[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O EGV (4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F EGW 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide +c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5 EGX 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C EGY (4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium +C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O EGZ (3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid +c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O EH0 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid +c1cc(ccc1C2CCCCC2)C(=O)O EH1 4-cyclohexylbenzoic acid +c1ccc(c(c1)/C=C/c2cccs2)C(=O)O EH2 2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid +CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl EH3 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid +COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O EH5 n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide +c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O EH6 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid +Cn1cnc(c1c2ccncc2)c3ccccc3 EH8 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine +CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N EH9 (2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol +CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5 EHA (5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid +CCN\1c2cc(ccc2S/C1=C\C(=O)C)O EHB (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one +c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl EHC 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O EHD 4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione +CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3 EHE 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one +CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O EHF (2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N EHG 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine +Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN EHH [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine +CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3 EHK 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one +Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-] EHL 5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide +C([C@H]([C@H](C(=O)NO)O)O)O EHM (2r,3r)-n,2,3,4-tetrahydroxybutanamide +CC EHN ethane +c1ccc(cc1)Nc2ccccc2C(=O)O EHO 2-phenylazanylbenzoic acid +c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP 3-hydroxyphenylalanine +Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3 EHQ 3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole +c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O EHR 2-[(2-phenylphenyl)amino]benzoic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O EHS 2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3 EHT 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole +CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O EHU 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid +Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br EHV (2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F EHW 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole +c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO EHX (9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole +c1ccc(cc1)CCNC(=S)Nc2cccnc2 EHY n-(2-phenylethyl)-n'-pyridin-3-ylthiourea +CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O EHZ ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate +CCc1c2cc(ccc2nn1c3ccc(cc3)O)O EI1 3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol +Cc1ccc(nc1)c2ccc(cn2)C EI3 5-methyl-2-(5-methylpyridin-2-yl)pyridine +C1CNCC2=C1C(=O)NO2 EI7 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4 EI8 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4 EI9 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O EIC linoleic acid +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-] EIE ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC EIJ (2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC EIM (1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O EIN (1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O EIO (3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine +C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO EIP 4-hydroxy-3-methyl butyl diphosphate +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O EIS n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3 EIT ((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +Cn1cncc1[N+](=O)[O-] EIV 1-methyl-5-nitro-1h-imidazole +[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EJ1 (2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid +[H+]([Fe](C#N)(C#N)C#[O+])[Ni] EJ2 ni-fe reduced active center +c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8 EJ4 (4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol +c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O EJ5 4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid +Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F EJ6 5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide +C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC EJ7 n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O EJ8 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C EJ9 (2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O EJA s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine +CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O EJB 7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCOc1ccc2c(c1)cc[nH]2 EJC 5-propoxy-1h-indole +c1cc(ccc1c2ccsc2)C(=O)O EJD 4-(thiophen-3-yl)benzoic acid +Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN EJE [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2 EJF n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O EJH [(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid +c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJK 4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O EJL (9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid +c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJN (2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol +CCN(CC)c1ccc2c(c1)OC(=O)C=C2 EJO 7-(diethylamino)chromen-2-one +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N EJP (3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile +c1cc(ccc1NC(=O)CN2CCCC2)F EJQ ~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F EJR n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5 EJS (4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide +c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-] EJT 1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene +CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC EJU 8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine +CCCCCCCc1ccc(cc1)C(=O)O EJV 4-heptylbenzoic acid +c1ccc(cc1)c2cc(on2)C[NH3+] EJW (3-phenyl-1,2-oxazol-5-yl)methylazanium +c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-] EJY 2-benzyl-5-nitro-1h-benzimidazole +C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-] EJZ 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl EK0 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O EK1 (2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid +c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4 EK2 {4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F EK3 n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine +c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F EK4 n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide +c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5 EK5 4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F EK6 ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate +CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O EK7 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O EK8 (2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4 EK9 n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +C1CCC(CC1)N(C(=O)C(=O)O)O EKA [cyclohexyl(hydroxy)amino](oxo)acetic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC EKB 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +C1CCC(CC1)NC(=O)C(=O)O EKD (cyclohexylamino)(oxo)acetic acid +C[C@H]([C@H](CCC(=O)O)N)O EKE (4s,5r)-4-amino-5-hydroxyhexanoic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 EKF n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O EKG (2r)-2,3-dihydroxypropyl hexadecanoate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl EKH 5-chlorotubercidin +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC EKJ 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br EKK 5-bromotubercidin +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC EKL 6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C EKM 1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium +C(CN[C@@H](CC(=O)O)C(=O)O)N EKN (2~{s})-2-(2-azanylethylamino)butanedioic acid +c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl EKO 4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C EKP 2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid +C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O EKQ (2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5 EKR n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C EKS 2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid +CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C EKT 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one +c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O EKU 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one +CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C EKV n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine +C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O EKX (1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +CC(C)(C)c1ccc(c(c1)O)O EKZ 4-tert-butylbenzene-1,2-diol +Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C EL ellipticine +CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C EL1 3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide +CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5 EL2 1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide +C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C EL3 (3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene +C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C EL5 biliverdin +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC EL6 [(2s)-2-octadecanoyloxypropyl] octadecanoate +CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EL7 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name) +C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F EL8 (6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide +CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6 EL9 cyclometalated-carbene platinum(ii) complex +CCCCCCCC\C=C\CCCCCCCC(=O)O ELA 9-octadecenoic acid +c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N ELB 4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +CCCCCCCCC=CCCCCCCCC(=O)N ELD (9e)-octadec-9-enamide +C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O ELE 2-keto 3 deoxy 6 phospho gluconate +C1C[C@H](C(=O)NC1)C[C@@H](C=O)N ELF (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O ELG (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O ELH 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O ELI 6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid +Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl ELJ chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii) +Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC ELK ~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](C=O)N ELL (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal +CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O ELM n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide +c1cc(ccc1NC(=O)CC#N)Cl ELN ~{n}-(4-chlorophenyl)-2-cyano-ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O ELP (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F ELQ [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone +C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELR phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O ELS n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +CCOP(=O)(N(C)C)O ELT ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid +C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELU phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O ELV 6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O ELW 5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C ELX (2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol +CCN(CC)CCCC[C@@H](C(=O)O)N ELY n~6~,n~6~-diethyl-l-lysine +CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O ELZ 10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C EM1 (3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O EM2 (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EM4 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO EM5 4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCC1=C(N=C2C(=CNN2C1=O)C#N)C EM6 6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N EM7 3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide +C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F EM8 (3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O EM9 n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide +c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N EMA (adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate +CCOC(=O)NC EMB methyl-carbamic acid ethyl ester +CC[Hg+] EMC ethyl mercury ion +C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC EMD 5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one +CN[C@@H](CCC(=O)O)C(=O)O EME n-methyl-l-glutamic acid +CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O EMF ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate +CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EMG n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide +CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C EMH 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile +CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O EMJ 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione +CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O EMK (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO EML 2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol +CN(C=C)C(=O)O EMM [methyl(vinyl)amino]methanol +C[C@H](COCCOC)COC[C@H](C)N EMN (2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine +Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O EMO 3-methyl-1,6,8-trihydroxyanthraquinone +CCN[C@H]1CO[C@H](C[C@@H]1OC)O EMP 2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose +CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4 EMQ 1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea +C1COCCN1CCN EMR n-aminoethylmorpholine +[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EMS (2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid +CC[Hg]Sc1ccccc1C(=O)O EMT 2-(ethylmercuri-thio)-benzoic acid +c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 EMU n-benzyl-9h-purin-6-amine +CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3 EMV (2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine +Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC EMW (3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide +COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O EMZ 6-o-methyl-beta-d-galactopyranose +Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O EN0 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1cc(ccc1/C=C(\C(=O)O)/O)O EN1 (2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid +CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F EN2 ~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2 EN3 (e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione +C1CCC(C1)N(C(=O)C(=O)O)O EN4 [cyclopentyl(hydroxy)amino](oxo)acetic acid +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN EN5 n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO EN6 n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide +C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC EN8 (2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine +c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl EN9 (2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N ENA etheno-nad +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C ENB ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CC[N+]#C ENC ethyl isocyanide +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O END 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O ENE (4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol +CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1 ENF n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O ENG (2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl ENH 1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S ENJ (4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid +c1ccc(cc1)c2nc(on2)CN ENK (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine +C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O ENL (1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F ENM (5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one +CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N ENN ~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide +c1cc(ccc1CC(=O)C(=O)O)O ENO 3-(4-hydroxy-phenyl)pyruvic acid +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O ENP etheno-nadp +c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O ENQ [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate +CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC ENR 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide +COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N ENS methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O ENT 3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC ENU 6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O ENV (2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O ENW 2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate +CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N ENX enacyloxin iia +COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O ENY (2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid +CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3 ENZ (4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one +CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC EO0 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C EO1 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine +CC(=C)C[C@@H](C(=O)O)N EO2 4,5-dehydro-l-leucine +CCCCCCCCCCCCCCCCCCCCCC(=O)O EO3 docosanoic acid +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C EO4 n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine +Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6 EO5 ~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EO6 (1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N EO7 2-chloro-5'-o-sulfamoyladenosine +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O EO8 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid +[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O EO9 [(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc(cc1)CCNC=O EOA n-phenethyl-formamide +c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOB {1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOC (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O EOD 11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid +C1C[C@H](NC1)CC(=O)O EOE beta3-proline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOF (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl EOG 1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CCO EOH ethanol +C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S EOI [[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl EOJ 1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C EOK (~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide +COc1cc(ccc1O)CC=C EOL 2-methoxy-4-(prop-2-en-1-yl)phenol +CCOC[O-] EOM ethyloxymethoxyl +COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N EON 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O EOO (1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid +C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOP {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl EOQ 4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide +CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N EOR 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C EOS 1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO EOT [(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid +COC(=O)/C=C/C(=O)OC EOU dimethyl (~{e})-but-2-enedioate +Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O EOW (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCO EOX ethyloxy group +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C EOY 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O EOZ 3,5-bis[(phosphonoacetyl)amino]benzoic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C EP epothilone a +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O EP0 n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +C1CN(CCN1CCCS(=O)(=O)O)CCO EP1 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O EP2 methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate +CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EP4 5'-deoxy-5'-(dimethylamino)adenosine +c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] EP5 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium +CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C EP6 5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC EP7 1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4 EP8 5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 EP9 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O EPA 5,8,11,14,17-eicosapentaenoic acid +Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C EPB 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O EPC (1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C EPD epothilone d +C1CN(CCN1CCO)CCS(=O)(=O)O EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid +C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EPG (2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside +CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN EPH l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine +CCC1CCNCC1 EPI 4-ethylpiperidine +c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl EPJ epibatidine +CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C EPK 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one +CCOP(=O)(OCC)Oc1ccc(cc1)OC EPL diethyl 4-methoxyphenyl phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O EPM n-palmitoyl-l-methionine +c1cc(ccc1[N+](=O)[O-])OCCCO EPN 3-(4-nitro-phenoxy)-propan-1-ol +[C@@H]1(C(O1)C(=O)O)C(=O)O EPO (2r,3r)-oxirane-2,3-dicarboxylic acid +CN(C)C(=O)CC[C@@H](C(=O)CF)N EPQ (4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide +C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O EPR {5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid +C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O EPS 5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +CCCCCCCc1ccc(cc1)O EPT heptanyl-p-phenol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O EPU uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C EPV 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O EPW cystargolide b- bound form +c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N EPY 1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EPZ (2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N EQ1 [2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid +CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 EQ2 1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C EQ3 (3'r)-3'-hydroxy-beta,beta-caroten-4-one +c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O EQ4 5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine +c1ccc2c(c1)ccn2CCC(=O)O EQ5 3-indol-1-ylpropanoic acid +CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl EQ7 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F EQ8 [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium +Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N EQ9 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one +c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F EQA (2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid +CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQB (2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid +COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O EQC arctigenin +c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl EQD 5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQE (2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid +C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C EQF (3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3 EQG benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate +c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N EQH cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O EQI equilin +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O EQJ (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine +c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O EQL 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid +CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O EQM methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C EQO 4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O EQP (1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N EQQ ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine) +c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O EQR 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EQS (1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(c(c1)Cl)c(n[nH]2)N EQT 4-chloranyl-1~{h}-indazol-3-amine +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O EQU equilenin +C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O EQV loganic acid +c1c(cnc(n1)NC2CCOCC2)Cl EQW 5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine +Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O EQX 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid +COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4 EQY methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate +COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl EQZ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O ER0 [(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate +S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34 ER2 fe4s4 +[Er+3] ER3 erbium (iii) ion +COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O ER4 (3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O ER5 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O ER6 (3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid +Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C ER7 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one +CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ER8 ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide +c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O ER9 3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid +CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O ERA (7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C ERB erythromycin b +COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O ERC 8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one +c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O ERD (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O ERE 4-epi-vancosamine +B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O ERF phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C ERG ergosterol +Cc1cc(cc(c1)O)C ERH 3,4-dimethylphenol +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C ERI 3-c-methyl-4-o-acetyl-alpha-l-olivopyranose +c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O ERJ 9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine +C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ERK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C ERM ergotamine +CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O ERN (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one +C=CC1=C(NC(=O)NC1=O)C(=O)O ERO 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERP 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine +Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC ERR 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERS (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol +CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O ERT methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate +CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N ERU (13z)-docos-13-enamide +CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ERW ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide +Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC ERX 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ERY erythromycin a +Cc1cnc(nc1)Nc2cnn(c2C)C ERZ ~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine +c1cc2c(c(c1)O)[nH]c(n2)N ES0 2-amino-1h-benzimidazol-7-ol +c1ccc2c(c1)c(ccn2)O ES1 quinolin-4-ol +c1cc2c(cc1Cl)NC(=O)C2 ES2 6-chloro-1,3-dihydro-2h-indol-2-one +c1c(nc[nH]1)Br ES3 4-bromo-1h-imidazole +c1[nH]c2c(n1)c(ncn2)Cl ES4 6-chloro-9h-purine +c1cc2cc(ccc2nc1)N ES5 quinolin-6-amine +C1=CNC(=O)C(=C1)C(=O)O ES6 2-oxo-1,2-dihydropyridine-3-carboxylic acid +Cn1c2ccccc2nc1N ES7 1-methyl-1h-benzimidazol-2-amine +c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O ES8 [(9h-fluoren-9-ylideneamino)oxy]acetic acid +c1cc2c(cc1Cl)nc[nH]2 ES9 5-chloro-1h-benzimidazole +CCS(=O)(=O)O ESA ethanesulfonic acid +CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N ESB 3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +CCSCC[C@@H](C(=O)O)N ESC 2-amino-4-ethyl sulfanyl butyric acid +C(CSCC(=O)O)N ESD (2-amino-ethylsulfanyl)-acetic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O ESE (1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O ESF (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide +CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N ESG l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N ESH 4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide +c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I ESI 4-iodobenzo[b]thiophene-2-carboxamidine +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O ESJ (4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O ESL estriol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC ESM 1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether +Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESN (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O ESO o3-phosphonoestrone +c1cc2cc(sc2nc1)C(=[NH2+])N ESP thieno[2,3-b]pyridine-2-carboxamidine +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5 ESQ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4 ESR 5-alpha-estran-3,17-dione +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ESS (1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O EST estradiol +CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESW 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide +c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX benzo[b]thiophene-2-carboxamidine +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O ESY benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O ESZ (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol +CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N ET ethidium +COc1ccc2c(c1)c(c[nH]2)CCC(=O)O ET0 3-(5-methoxy-1h-indol-3-yl)propanoic acid +COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid +c1cc2c(cc1F)[nH]c(n2)N ET2 6-fluoro-1h-benzimidazol-2-amine +CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O ET3 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide +c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN ET5 (3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ET6 (1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4 ET8 3-phenyl-5-(pyridin-4-yl)-1h-indazole +C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N ET9 [[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate +C(CO)N ETA ethanolamine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O ETB ethyl coenzyme a +CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O ETC (r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol +C#C ETD ethenylene group +COCCOCCOCCOCCO ETE 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol +C(C(F)(F)F)O ETF trifluoroethanol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4 ETG (3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C[CH2] ETH ethyl group +CCI ETI iodoethane +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O ETK 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +C[N+](C)(C)CCS ETM 2-(trimethylammonium)ethyl thiol +CCNC ETN methylethylamine +CCOC=O ETO ethoxycarbonyl group +B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O ETP 3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid +CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl ETQ 3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide +CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C ETR n-ethyl retinamide +CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C ETS (4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O ETT 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C ETU (3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone +C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F ETV 4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O ETW 5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid +CCOCCO ETX 2-ethoxyethanol +CCc1ccc(cc1)O ETY 4-ethylphenol +CCOCC ETZ diethyl ether +[Eu+2] EU europium ion +C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C EU1 (2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 EU2 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one +[Eu+3] EU3 europium (iii) ion +CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N EU4 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 EU5 (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide +C[C@@H](C12CC3CC(C1)CC(C3)C2)N EU7 (1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine +c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O EU9 [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium +c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N EUB 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile +CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C EUD eudesmane cation +CS(=O)(=O)c1ccc2c(c1)sc(n2)N EUE 6-methylsulfonyl-1,3-benzothiazol-2-amine +CCSSc1nc2ccccc2s1 EUF 2-(ethyldisulfanyl)-1,3-benzothiazole +C/C=C/c1ccc(c(c1)OC)O EUG 2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol +c1cc2c(cc1SC(F)(F)F)sc(n2)N EUH 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O EUI [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC EUJ (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl EUK 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine +c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br EUL 2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide +Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4 EUN 2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one +CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3 EUO 6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine +C([C@@H]([C@@H](C(=O)O)N)O)N EUP 4-amino-l-allothreonine +CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUQ 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl EUR 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O EUS n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide +c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F EUT (8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one +CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C EUU 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine +CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUW 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C EUX n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C EUY (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide +CCCC1=CC(=O)NC(=N1)N EV0 2-amino-6-propylpyrimidin-4(3h)-one +COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC EV1 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline +c1ccc2c(c1)nc(c(n2)N3CCCC3)N EV2 3-pyrrolidin-1-ylquinoxalin-2-amine +c1cc2c(cc1Cl)nc(n2CCCO)N EV3 3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol +CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl EV4 4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide +CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl EV5 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide +CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl EV6 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4 EV7 2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N EV8 methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC EV9 [(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate +[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O EVA (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O EVB sulfonato-calix[8]arene +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C EVC n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +c1ccc2c(c1)cc(o2)S(=O)(=O)N EVD 1-benzofuran-2-sulfonamide +c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N EVE 1h-benzimidazole-2-sulfonamide +c1ccc2c(c1)nc(s2)S(=O)(=O)N EVF 1,3-benzothiazole-2-sulfonamide +c1cc(oc1)S(=O)(=O)N EVG furan-2-sulfonamide +c1cnc([nH]1)S(=O)(=O)N EVH 1h-imidazole-2-sulfonamide +c1csc(n1)S(=O)(=O)N EVI 1,3-thiazole-2-sulfonamide +c1cc(sc1)S(=O)(=O)N EVJ thiophene-2-sulfonamide +CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl EVK 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C EVL n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O EVM l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene] +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O EVN (2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2 EVO (3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one +C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O EVP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside +C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl EVQ 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide +CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC EVR 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide +C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O EVS 16-epi-vellosimine +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O EVT (2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 EVU 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one +CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O EVV n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid +c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N EVW 2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide +CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O EVY (2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EVZ methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate +Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC EW0 7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide +Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6 EW1 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5 EW2 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F EW3 [(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C EW4 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 EW5 1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide +C[C@](CO)(C(=O)O)N EW6 alpha-methyl-l-serine +CCCCCCCCCCCCCCCCCCC(=O)O EW8 nonadecanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C EW9 (1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O EWA [(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid +[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O EWB [(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-) +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O EWC [(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3 EWD 2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O EWE [(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium +c1cc(cc(c1)C(=O)O)c2c[nH]nc2 EWG 3-(1h-pyrazol-4-yl)benzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl EWH ~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F EWJ 5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EWK 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide +CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWL 6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one +CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O EWM n-[(3s)-2-oxooxolan-3-yl]dodecanamide +CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F EWN 6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one +c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F EWO (4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CC1=CC(=O)N(c2c1cc(cc2OC)OC)C EWQ 6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O EWR (2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid +c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl EWS (2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium +c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl EWT 2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWU 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one +COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5 EWV epiberberine +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N EWW 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N EWX 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N EWY 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl EWZ 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N EX0 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C EX1 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C EX3 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine +C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F EX4 (5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one +CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC EX5 jerantinine b +c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O EX7 2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol +C1[C@@H]([C@@H]([C@H](N1)C=O)F)O EX8 (2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O EXA n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine +c1ccc2c(c1)ncn2CCC(=O)O EXB 3-(1h-benzimidazol-1-yl)propanoic acid +CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C EXC 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical +c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F EXD 2-(trifluoromethyl)-1h-benzimidazol-7-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXE (2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F EXF n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide +c1ccc(cc1)Cn2cnc3c2cccn3 EXG 1-benzyl-1h-imidazo[4,5-b]pyridine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXH (2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC EXI n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl EXJ (3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile +Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N EXL 1-methyl-l-tryptophan +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C EXM (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione +CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C EXN [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium +C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O EXO (1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol +CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br EXP 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N EXR (2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid +CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O EXS (2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O EXT {5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate +CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C EXU 1,3,7-trimethyl-9h-purine-2,6,8-trione +c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O EXV 3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid +CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C EXW 2-fluoro-3,7,18-dolabellatriene +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br EXX 4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole +C1[C@H](O1)CCCC[C@@H](C(=O)O)N EXY 6-[(2r)-oxiran-2-yl]-l-norleucine +Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O EY0 3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione +c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5 EY1 2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide +CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C EY2 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium +CC(C)Oc1ccc2c(c1)cc[nH]2 EY3 5-propan-2-yloxy-1h-indole +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C EY4 (3a,5a)-3-hydroxypregnane-11,20-dione +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C EY5 erythromycin d +c1cc2c(cc[nH]2)cc1OCCF EY6 5-(2-fluoranylethoxy)-1h-indole +COc1c(nc2ccccc2n1)CCC(=O)O EY7 3-(3-methoxyquinoxalin-2-yl)propanoic acid +c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2 EY8 [(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide +COCCOc1ccc2c(c1)cc[nH]2 EY9 5-(2-methoxyethoxy)-1h-indole +CN1C(=Nc2ccccc2C1=O)CCC(=O)O EYA 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid +CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C EYB [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl EYC 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid} +CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C EYE [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO EYF 1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide +CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N EYG {(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid +Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl EYH (4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +c1ccc2c(c1)nc(s2)CCC(=O)O EYJ 3-(1,3-benzothiazol-2-yl)propanoic acid +CC(C)(C)c1cc(ccc1O)O EYK 2-tert-butylbenzene-1,4-diol +c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO EYL ~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide +CN1c2ccccc2N=C(C1=O)CCC(=O)O EYM 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC EYN 2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +C1COCCOCCOCCOCCO1 EYO 1,4,7,10,13-pentaoxacyclopentadecane +c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O EYP 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5 EYQ ~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide +CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C EYR (6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene +C([C@@H](C=O)[NH3+])S[SeH] EYS s-selanylcysteinal +c1ccc2c(c1)nc(s2)CC(=O)O EYV (1,3-benzothiazol-2-yl)acetic acid +C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 EYW 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide +c1ccc2c(c1)ccc(n2)CCC(=O)O EYY 3-(quinolin-2-yl)propanoic acid +c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O EYZ (2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid +C=CC[Se]c1ccc(cc1)S(=O)(=O)N EZ1 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide +C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3 EZ2 ~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide +C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O EZ3 (3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O EZ4 (2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC EZ5 ~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide +CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F EZ6 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid +CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C EZ7 n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide +c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO EZ8 [1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium +CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F EZ9 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C EZA n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide +Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4 EZB 5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one +CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 EZC 2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O EZE trans-oxyresveratrol +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN EZF methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-] EZG n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide +c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O EZH cis-oxyresveratrol +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4 EZK [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium +CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-] EZM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide +c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN EZN [3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine +CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O EZO 2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O EZP n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide +CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N EZR 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C EZS 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O EZT (17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol +C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 EZU 1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 EZW 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate +c1ccc(c(c1)CNCC(=O)O)N(=O)=O EZY n-[(2-nitrophenyl)methyl]glycine +CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O EZZ (3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +[F-] F fluoride ion +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O F00 (2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F F01 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one +CCN(CC)c1ccc(cc1)C(=O)NN F02 4-(diethylamino)benzohydrazide +CC(=O)NC1=Nc2ccccc2C(=O)N1 F03 n-(4-oxo-3h-quinazolin-2-yl)acetamide +CCN1C(=O)c2ccccc2C(=N1)C F04 2-ethyl-4-methyl-phthalazin-1-one +c1ccc2c(c1)CN=C2N F05 1h-isoindol-3-amine +[H]/N=C(\N)/SCc1ccccc1Cl F06 2-chlorobenzyl carbamimidothioate +c1cncc2c1ncc3c2scc3 F07 thieno[3,2-c][1,6]naphthyridine +COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 F08 methyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCCCCCCCO F09 nonan-1-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC F0A 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0B (3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +COc1ccc(cc1)CC2=NCCC3=C2CCCC3 F0C 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr F0D 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8 F0E cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate +CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2 F0F (1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O F0G (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl F0H [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +COc1ccc(c(c1)OC)O F0J 2,4-dimethoxyphenol +Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0K (3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0L nickel-sirohydrochlorin +COc1cc(ccc1O)N(=O)=O F0M 2-methoxy-4-nitrophenol +c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4 F0N (3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1c(sc(n1)Cl)C(=O)O F0O 2-chloranyl-1,3-thiazole-5-carboxylic acid +c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O F0P (2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br F0Q 1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea +Cc1ccccc1NC(=S)NCc2ccco2 F0R 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5 F0S (4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2 F0T ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate +Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl F0U 5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide +Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C F0V 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C F0W ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0X cobalt-sirohydrochlorin +Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC F0Y methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate +c1ccc(c(c1)C2=NCCCN2)S F0Z 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol +c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F F10 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6 F11 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine +CC(=O)Nc1c(ccs1)C(=O)O F12 2-(acetylamino)thiophene-3-carboxylic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3 F13 3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC F14 2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCCCCCCCCCCCCCC(=O)O F15 pentadecanoic acid +c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O F16 5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O F17 n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide +c1cc(ccc1/N=N\c2c([nH]nc2N)N)O F18 4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O F19 2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N)C F1A 2,4,6-trimethylbenzenesulfonamide +CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2 F1B (3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C F1C 3,5-bis(3-acetamidophenyl)benzoic acid +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC F1D methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C F1E ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate +Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F F1G 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide +c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS F1H n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide +COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC F1I n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F F1J (2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F F1K (2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide +COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br F1L n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N F1M n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide +Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N F1N n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide +C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1P 1-o-phosphono-beta-d-fructopyranose +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2 F1Q ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate +COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N F1R n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4 F1S n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide +Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F F1T 3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine +CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O F1U (1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol +CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC F1V n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C F1W 4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1X 1-o-phosphono-beta-d-fructofuranose +CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO F1Y n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide +CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N F1Z ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4 F20 n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide +c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF F21 (3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O F22 (4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid +CCCCCCCCCCCCCCCCCCCCCCC(=O)O F23 tricosanoic acid +C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C F24 (7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid +c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F F25 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine +Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C F26 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene +c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O F27 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N F29 1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N F2A 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine +c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N F2B n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide +c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O F2C 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C F2D 3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one +C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO F2E 1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea +c1cc(c(cc1C[C@@H](C(=O)O)N)F)F F2F 3,4-difluoro-l-phenylalanine +CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1 F2G 3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-] F2H 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C F2I n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4 F2J n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide +c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl F2K (5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile +CC(=O)Nc1c(cccc1F)F F2L ~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide +C/C=C/N(C)Cc1ccco1 F2M (~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7 F2N [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +O([Fe])[Fe] F2O mu-oxo-diiron(iii) +C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O F2P 1,6-di-o-phosphono-d-allitol +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O F2R adp-ribosyl-l-arginine +CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C F2S 11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F F2T 2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine +C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F F2U 2'-deoxy-5-ethynyl-2',2'-difluorouridine +C[NH+]1CCc2cc(c(cc2C1)OC)OC F2W 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium +C[C@@H]1CC(=O)c2c(cccc2O)C1=O F2X (2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N F2Y 3,5-difluoro-l-tyrosine +COc1cc2c(cc1OC)CNC(=O)C2 F2Z 6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one +CC(=O)c1ccc(c(c1)OC)N F31 1-(4-azanyl-3-methoxy-phenyl)ethanone +c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5 F32 (5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O F33 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one +CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O F34 n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O F35 3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione +CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F36 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one +C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 F37 (5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N F38 [4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide +CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O F39 [(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N F3A 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F F3B 1,3,5-trichloro-2,4,6-trifluorobenzene +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O F3C 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4 F3D 4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide +c1ccc(cc1)c2ccnc(n2)N F3E 4-phenylpyrimidin-2-amine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F F3F s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O F3H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O F3I (mi2-acetato-o, o')-hexaaquo-dirhodium (ii) +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7 F3J 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br F3K ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine) +COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O F3M methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3N 3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3O 3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate) +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O F3P (1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6 F3Q ~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide +S1[Fe]2S[Fe]3[S]2[Fe]1S3 F3S fe3-s4 cluster +C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O F3T 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid +CC(=O)CN F3V 1-aminopropan-2-one +c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N F3W (~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7 F3Z (3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide +c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F40 2-phenyl-3h-quinazolin-4-one +c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2 F41 n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O F42 coenzyme f420 +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O F43 factor 430 +c1ccnc(c1)CCCc2ccccn2 F44 2,2'-(propane-1,3-diyl)dipyridine +c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O F45 [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6 F46 n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide +c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O F47 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol +c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F48 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile +COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O F49 [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2 F4A 4-[(9h-purin-6-yl)amino]benzamide +c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F4B (~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile +c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F F4C 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N F4D 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide +COC(=O)c1cc2c([nH]1)cco2 F4E methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate +CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O F4F (5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid +c1cc(cnc1)c2cnc3n2cccc3C(=O)N F4G 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O F4H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol +c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O F4J 5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one +c1ccn(c1)c2ccc(cc2)CO F4K (4-pyrrol-1-ylphenyl)methanol +CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O F4M 1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] F4N ~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide +Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O F4O 6-methoxy-streptovaricin c +c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F F4P 1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N F4Q [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CCCCCCCCCCCCNC=S F4R n-dodecylmethanethioamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3 F4S fe4-s3 cluster +COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC F4T methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate +c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O F4U 2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione +C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 F4W 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C F4X 8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid +c1c(c(nc(c1Cl)Cl)O)Cl F4Z 3,5,6-trichloro-2-pyridinol +CC(=O)OO F50 ethaneperoxoic acid +Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O F51 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid +c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O F52 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO F53 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate +Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C F54 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl F55 n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O F56 3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O F57 (2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate +C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F58 n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O F59 n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid +c1c(c(c(c(c1F)F)F)F)F F5B 1,2,3,4,5-pentafluorobenzene +C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F F5C penta-fluorocinnamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N F5D 5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C F5E ~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide +C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C F5F 3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O F5G (2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O F5H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol +CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O F5I cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii) +c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O F5J 7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F5L (1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O F5M 5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2 F5N 2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide +CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC F5O 4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N F5P (2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5 F5Q 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide +[H]/N=C(\c1ccc(cc1)Br)/N F5R 4-bromanylbenzenecarboximidamide +C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O F5S (1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one +CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O F5T cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii) +COc1ccc2c(c1)c(c[nH]2)CCN F5U 2-(5-methoxy-1h-indol-3-yl)ethanamine +Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C F5V n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide +COc1ccc2c(c1)[nH]cc2CCN F5X 2-(6-methoxy-1h-indol-3-yl)ethanamine +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC F5Y 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2 F5Z 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide +c1cc(cc2c1cc[nH]2)O F60 1h-indol-6-ol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O F61 n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C F62 n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide +CNCc1ccc(o1)Oc2cccnc2 F63 n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine +C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C F64 (2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC F65 methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate +Cc1c(c2ccccc2[nH]1)CCN F66 2-(2-methyl-1h-indol-3-yl)ethanamine +C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3 F67 (3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one +Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F68 n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(c(c1)CO)c2cccs2 F69 (2-thiophen-2-ylphenyl)methanol +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F6A n-biphenyl-3-yl-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F F6B n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C F6C chlorophyll f +Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N F6D (3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile +CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4 F6E (6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one +c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F F6F 2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O F6G 6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O F6H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol +CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4 F6J 2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O F6K homosalinosporamide a - bound form +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C F6L 4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid +CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C F6M n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide +c1c(nc(o1)CN)C(=O)O F6N 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid +CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C F6O n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O F6P 6-o-phosphono-beta-d-fructofuranose +c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F6Q n,n-pyridylbenzimidazole derivative-pd complex +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O F6R fructose -6-phosphate +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F F6T (3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O F6U [(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N F6W 4-(2-phenylethylsulfanyl)benzenesulfonamide +C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O F6X [(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F6Y 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid +c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F6Z 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N F70 cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 F71 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O F72 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O F73 [(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O F74 8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate) +c1c(nc(s1)CN)C(=O)O F75 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N F76 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate +CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F77 3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O F78 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F79 2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid +c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F7A n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide +c1cc2c(cc1Cl)C(=O)CCS2 F7B 6-chloranyl-2,3-dihydrothiochromen-4-one +[C@H](C(=O)C(=O)O)(C(=O)O)O F7C (2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C F7D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O F7E [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate +Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O F7F 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O F7H 4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one +c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4 F7I ~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N F7J 3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N F7K 2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one +c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F F7L (2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol +Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5 F7M 4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide +CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3 F7N [(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium +c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N F7O [(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O F7P 1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO F7Q (2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid +C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O F7R [(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@@H](C[C@@H](C(=O)O)NC)CO F7S (4s)-5-hydroxy-n-methyl-l-leucine +c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F7T alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex +c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N F7U 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide +C/C=C/C[C@@H](C(=O)O)N F7V (2s,4e)-2-aminohex-4-enoic acid +c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N F7W 7-fluorotryptophan +c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N F7X [(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC F80 n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine +COc1cccc(c1O)Br F81 2-bromo-6-methoxyphenol +CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC F82 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl F83 (3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F85 n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N F86 [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C F87 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F88 ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O F89 s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F F8A 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F8B ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F8C (1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO F8D 1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2 F8E methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate +[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N F8F (2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid +C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O F8G s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3 F8H ~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3 F8I ~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C F8J 2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C F8L [(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate +CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O F8M 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4 F8N ~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide +c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O F8P 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C F8R 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone +c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O F8S 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O F8U (2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid +CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F F8V (3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide +c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid +[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N F8X 2-amino-2-deoxy-beta-d-altropyranuronic acid +CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C F8Y (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO F8Z 1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea +[H]/N=C(\N)/SCc1ccc(cc1)Cl F90 4-chlorobenzyl carbamimidothioate +c1cc2c(cc1NCc3ccncc3)OCCO2 F91 n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine +c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F F92 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol +c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O F93 (2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid +c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O F94 7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one +c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O F95 (7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid +CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5 F97 n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine +CC(=O)N(CCCP(=O)(O)O)O F98 3-[ethanoyl(hydroxy)amino]propylphosphonic acid +CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F F9A n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide +c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O F9B 2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol +C#CC[C@H](C(=O)O)N F9D (2r)-2-aminopent-4-ynoic acid +CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N F9E [(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate +c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O F9F 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate +COc1ccc(cc1O)Br F9G 5-bromo-2-methoxyphenol +Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4 F9J 5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine +CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F F9K (1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline +CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 F9N 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide +C1CCC(CC1)C(=O)NO F9P n-hydroxycyclohexanecarboxamide +Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O F9R digitoxin +c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O F9S 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O F9T 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C F9U (3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O F9V (2s)-2-phenylbutanedioic acid +c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO F9W (1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O F9X (2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid +c1cc(cc2c1cc[nH]2)C#N F9Y 1h-indole-6-carbonitrile +CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O F9Z 2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FA folic acid +c1cc(c(cc1F)N)C(=O)O FA0 2-amino-4-fluorobenzoic acid +C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O FA1 2,3 -anhydro-quinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N FA2 5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O FA3 2-anhydro-3-fluoro-quinic acid +[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO FA4 sm-25453 +c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FA5 adenosine-5'-[phenylalaninyl-phosphate] +C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O FA6 3-hydroxyimino quinic acid +CC(C)C\C=C\C=C/C(=O)O FA7 (2z,4e)-7-methylocta-2,4-dienoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FA8 [[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8 FA9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O FAA n5-(4-hydroxybenzyl)flavin-adenine dinucleotide +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C FAB flavin-adenine dinucleotide-n5-isobutyl ketone +C(C(F)(F)F)(C(F)(F)F)(O)O FAC 1,1,1,3,3,3-hexafluoropropanediol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAD flavin-adenine dinucleotide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O FAE flavin-n7 protonated-adenine dinucleotide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C FAF 2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O FAG [1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group +C(C(=O)O)F FAH fluoroacetic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N FAI 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O FAJ fad-trans-2-phenylcyclopropylamine adduct +C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N FAK n~6~-(trifluoroacetyl)-l-lysine +CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FAL (2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O FAM alpha-fluoro-amidocarboxymethyldethia coenzyme a complex +c1ccc(cc1)NC=O FAN formanilide +Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAO [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FAP (2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O FAQ phenylacetyl coenzyme a +C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C FAR farnesyl +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAS arabino-flavin-adenine dinucleotide +CCCCCCCCCCCCCCCC(=O)O FAT 1-hexyldecanoic acid +CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3 FAV n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC FAW (2s)-3-hydroxypropane-1,2-diyl ditetradecanoate +c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N FAX [(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAY [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate +CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl FAZ 8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O FB 5a-formylbicyclomycin +C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C FB0 (2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1ccc(c(c1)S(=O)(=O)N)Cl FB1 2-chlorobenzenesulfonamide +c1ccc(cc1)S(=O)(=O)N FB2 benzenesulfonamide +c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl FB4 2-(2-amino-4-chlorophenoxy)-5-chlorophenol +B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O FB5 2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine +B(CCCCC(C)(C(=O)O)N)(O)O FB6 6-(dihydroxyboranyl)-2-methyl-l-norleucine +c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N FB7 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine +COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6 FB9 (3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +c1cc(ccc1C[NH3+])F FBA 4-fluorobenzylamine +c1cc2c(cc1F)sc(n2)N FBB 6-fluoro-1,3-benzothiazol-2-amine +c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O FBC 3',5'-difluorobiphenyl-4-carboxylic acid +c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FBD n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid +C(/C=C/CN)C(=O)O FBE (3e)-5-aminopent-3-enoic acid +[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N FBF 4-(trifluoromethyl)benzenecarboximidamide +c1c(cc(c2c1COCO2)C(=O)O)F FBG 6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid +CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O FBI 7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid +C1CC=C(C1)C(=O)NO FBJ n-hydroxycyclopent-1-ene-1-carboxamide +c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O FBK 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FBL (2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +C1CCC(=CC1)C(=O)NO FBM n-hydroxycyclohex-1-ene-1-carboxamide +c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-] FBN 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N FBO l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O FBP 1,6-di-o-phosphono-beta-d-fructofuranose +Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O FBQ 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol +CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br FBR (9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one +c1cc(ccc1F)S(=O)(=O)N FBS 4-fluorobenzenesulfonamide +c1cc(c(c(c1)F)S(=O)(=O)N)F FBT 2,6-difluorobenzenesulfonamide +c1c(cc(cc1F)S(=O)(=O)N)F FBU 3,5-difluorobenzenesulfonamide +c1ccc(c(c1)F)S(=O)(=O)N FBV 2-fluorobenzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)F FBW 3-fluorobenzenesulfonamide +CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F FBX ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate +CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F FBY (7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one +C[C@@H](CC(=O)O)c1ccccc1 FBZ (3s)-3-phenylbutanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O FC0 n-carboxy-l-phenylalanine +CN(C)CCCOC1=CC(=O)Sc2c1cccc2 FC1 thiocoumarin +c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl FC2 5-(2,5-dichlorophenyl)-2-furoic acid +c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F FC3 5-[2-(trifluoromethyl)phenyl]-2-furoic acid +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl FC4 (2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)C=CC(=S)O2 FC5 6-hydroxy-2h-chromene-2-thione +C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N FC6 hexacyanoferrate(3-) +C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC FC7 fusicoccin a-thf +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N FC8 ~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine +c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N FC9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O FCA alpha-d-fucopyranose +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O FCB beta-d-fucopyranose +c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5 FCC 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one +c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl FCD 5-(2-chlorophenyl)furan-2-carboxylic acid +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C FCE ferrichrome +c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2 FCF 3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O FCG (n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide +c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N FCH (2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C FCI ferricrocin-iron +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N FCJ 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine +c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2 FCK 3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid +c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL 3-chloro-l-phenylalanine +CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F FCM (9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@H]1[C@H](O1)P(=O)(O)O FCN fosfomycin +C(#N)[Fe](=C=O)C#N FCO carbonmonoxide-(dicyano) iron +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FCP (2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1 FCQ 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1cc(ccc1C(F)(F)F)O FCR alpha,alpha,alpha-trifluoro-p-cresol +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C FCS (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O FCT deoxy-2-fluoro-b-d-cellotrioside +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3 FCV 3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide +c1cc2c(cc1C3CCCCC3)CC(=O)N2 FCW 5-cyclohexyl-1,3-dihydroindol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O FCX alpha-fluoro-carboxymethyldethia coenzyme a complex +C([C@@H](C(=O)O)N)S FCY free cysteine +Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N FCZ 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N FD1 n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N FD2 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N FD3 n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide +CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3 FD4 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine +Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O FD5 [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl FD6 n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine +[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC FD7 n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea +c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F FD8 n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide +Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N FD9 (2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FDA dihydroflavine-adenine dinucleotide +Cc1c[nH]c2c1C(=O)NC(=N2)N FDB 2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O] FDC iron(iii) dicitrate +Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C FDD fe(iii) 2,4-dimethyl deuteroporphyrin ix +Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C FDE fe(iii) deuteroporphyrin ix +C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF FDF (2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O FDG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl FDH 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O FDI 4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FDJ 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO FDK (1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol +CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N FDL n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F FDM 3'-fluoro-3'-deoxythymidine monophosphate +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F FDN (5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O FDP 2,6-di-o-phosphono-beta-d-fructofuranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O FDQ 2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol +CC1=Nc2c(c3c(s2)CCC3)C(=O)N1 FDR 2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one +c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O FDS fluorescin +Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O FDT (7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F FDU 1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O FDV 5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N FDW 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O FDY 5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2 FDZ 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea +[Fe+3] FE fe (iii) ion +C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O FE0 (1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC FE1 methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate +[Fe+2] FE2 fe (ii) ion +c1cc(c(cc1C(=O)O)Cl)CCN FE3 4-(2-aminoethyl)-3-chlorobenzoic acid +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N FE5 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl FE6 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2 FE7 n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide +[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N FE8 (10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S FE9 iron-guanylyl pyridinol cofactor +[N-]=[N+]=N[Fe]O[Fe] FEA monoazido-mu-oxo-diiron +CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O FEB n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O FEC 1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O FED [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name) +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O FEE n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide +c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2 FEF (2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime} +Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O FEG 5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine +c1ccc(cc1)[C@H](CO)O FEH (1r)-1-phenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O FEJ (2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name) +C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO FEK (1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +[OH2][Fe+3]([OH2])[OH2] FEL hydrated fe +C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12 FEM n-(2-ferrocenylethyl)maleimide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C FEN n-(4-hydroxyphenyl)all-trans retinamide +O([Fe])[Fe] FEO mu-oxo-diiron +c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FEP [(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO FEQ (1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol +COc1cc(ccc1O)\C=C\C(=O)O FER 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid +S1[Fe]S[Fe]1 FES fe2/s2 (inorganic) cluster +COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F FEU 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine +CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O FEV (2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid +CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C FEW 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide +CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4 FEX methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FEY (1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O FEZ (1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate +c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O FF0 (2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol +Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C FF1 (4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1cc2c(cc(s2)C(=O)NO)c(c1)Cl FF2 4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide +c1(nnc(s1)N)C(F)(F)S(=O)(=O)N FF3 1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O FF4 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N FF5 ~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FF7 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O FF8 (2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid +CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O FF9 (2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C FFA (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one +c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N FFB n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O FFC 2-deoxy-2-fluoro-b-d-cellobioside +c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O FFD (1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol +O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O FFE [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron +CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C FFF trifluorofurnesyl diphosphate +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O FFG (r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN FFH 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O FFJ 2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C FFK [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate +C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N FFM s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine +CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1 FFN 5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one +c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N FFO n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1cc(c(c(c1)F)O)F FFP 2,6-difluorophenol +CC[C@H](O)P(=O)(O)O FFQ [(1r)-1-hydroxypropyl]phosphonic acid +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O FFR 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid +c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4 FFS n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine +CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C FFT (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C FFU n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide +C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F FFV n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O FFW 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one +C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O FFX (2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol +C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5 FFY n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC FFZ 3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide +c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2 FG0 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] +c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O FG1 n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC FG2 5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC FG3 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3 FG4 {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3 FG5 (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3 FG6 {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +CCOC(=O)c1cccc(c1)N FG7 ethyl 3-aminobenzoate +c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl FG8 (~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide +c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N FG9 ~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine +C(CC(=O)O)[C@H](C(=O)O)N FGA gamma-d-glutamic acid +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N FGD n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3 FGE ~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC FGF n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C FGG (2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate +CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C FGH 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC FGJ (2r)-3-hydroxypropane-1,2-diyl dihexanoate +C(C(=O)O)(C(=O)O)N FGL 2-aminopropanedioic acid +CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O FGM (2r,3r)-2-hexyl-3-hydroxytridecanoic acid +c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl FGN (~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide +c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N FGO [(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate +[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N FGP 2-amino-3-hydroxy-3-phosphonooxy-propionic acid +Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F FGQ 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O FGR n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine +CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O FGS 5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol +c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O FGT 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one +CC(C)C[C@@H](C(=O)SCCNC(=O)C)N FGU s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate +C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O FGV (1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)] +CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C FGW dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium +[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O FGX [(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO FGY n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide +c1c(cc(c(c1Cl)O)Cl)C(=O)O FGZ 3,5-dichloro-4-hydroxybenzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5 FH0 ~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH1 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO FH2 (1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C FH3 (s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide +CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH4 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C FH5 (s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide +C(C[C@H](C(=O)O)N)CN(C=O)O FH7 n^5^-formyl-n^5^-hydroxy-d-ornithine +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O FH8 5-carboxy methylrhodamine +CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O FH9 (2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N FHA 2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(=O)O)F)O FHB 3-fluoro-4-hydroxybenzoic acid +c1cc(ccc1\C=C(/C(=O)[O-])\F)O FHC 2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate +CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C FHD 3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide +CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N FHE 2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F FHF n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N FHG 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O FHH methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O FHI 2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid +Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4 FHJ dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O FHK 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid +C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N FHL (e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine +C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O FHM s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O FHN (2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium +C(C[C@@H](C(=O)O)N)CN(C=O)O FHO n^5^-formyl-n^5^-hydroxy-l-ornithine +CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C FHP 1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid +c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br FHQ ~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FHR ~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FHS (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br FHT [[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O FHU (5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate +Cc1cccc(c1)NC(=O)N2CCCC2 FHV n-(3-methylphenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHW (2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N FHX 3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O FHY (2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid +COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHZ (2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O FI0 (2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5 FI1 6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl FI3 n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide +C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O FI4 (2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol +CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C FI8 fidaxomicin +c1(c(c(c(c(c1F)F)I)F)F)F FIB 1,2,3,4,5-pentafluoro-6-iodobenzene +c1cc2c(cc1F)cc([nH]2)C(=O)O FIC 5-fluoroindole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FID (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F FIF 2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid +c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O FIG 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F FIH 5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C FII [(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid +C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl FIJ 4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIK (1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC FIL (1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O FIN (1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N FIO n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine +c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O FIP 5-fluoroindole propanol phosphate +CN1C(=O)C=C(NC1=O)C2CC2 FIQ 6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione +c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3 FIR (2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FIS (2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C FIT (4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide +c1ccc2cc(ccc2c1)C(=O)O FIV naphthalene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIW (1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O FIX d-fructuronic acid +Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6 FJ0 2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide +CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C FJ1 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC FJ2 n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide +CC(C)c1cc(c(cc1O)O)c2cc(on2)N FJ3 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol +COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl FJ4 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5 FJ5 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC FJ6 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O FJ7 (1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 FJ8 ~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5 FJ9 n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide +CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC FJA fusicoccin j aglycone +c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+] FJB [[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FJC ~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl FJD 3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F FJE [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O FJF 5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione +C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5 FJG trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5 FJH ~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 FJI 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O FJJ (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O FJK 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea +C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O FJL (2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O FJM (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8 FJN [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium +C(CO)C(O)(O)O FJO propane-1,1,1,3-tetrol +CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C FJP (2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl FJQ tioconazole +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C FJR 2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6 FJS n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2 FJT ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC FJU 2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide +C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1 FJV 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine +c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O FJX 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol +Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C FJY 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline +c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3 FJZ n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide +c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O FK0 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol +c1cc(cc2c1cc[nH]2)Br FK1 6-bromo-1h-indole +C(C=O)C(=O)O FK2 3-oxidanylidenepropanoic acid +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O FK3 (3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O FK4 s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC FK5 8-deethyl-8-[but-3-enyl]-ascomycin +c1ccc(cc1)COC(=O)N FK8 (phenylmethyl) carbamate +CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O FK9 3-(propylsulfanyl)propyl alpha-d-mannopyranoside +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC FKA benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester +C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N FKB (2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C FKC (4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O FKD 3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N FKE 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C FKF (4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1 FKG 3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N FKH n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +C([C@@H](C(=O)C(=O)O)N)C(F)F FKI 5,5-di-fluoro-2-keto-3-aminopentanoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3 FKJ 3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F FKK 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5 FKL n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide +C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O FKM n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide +CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl FKN 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine +c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl FKO 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole +CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C FKP methylpiperazinoforskolin +c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O FKQ 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide +CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F FKR 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C(CCC(C(F)(F)F)(O)O)CCNCCCN FKS 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol +CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F FKU 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3 FKV 3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-] FKW 2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide +Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N FKY 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide +CCCCCCCCN FKZ octan-1-amine +c1ccc(cc1)C(=O)CBr FL0 2-bromanyl-1-phenyl-ethanone +c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N FL1 5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC FL2 flurbiprofen methyl ester +CC(=O)c1ccc2ccccc2c1 FL3 1-naphthalen-2-ylethanone +Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F FL4 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine +CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C FL5 12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium +COC(=O)C[C@@H](C(=O)O)N FL6 (2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl FL7 flurazepam +CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br FL8 6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone +c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O FL9 3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone +[C@H](C(=O)O)(C(F)(F)F)N FLA trifluoroalanine +CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F FLB 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene +C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O FLC citrate anion +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC FLD bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine +CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1 FLE furoyl-leucine +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F FLF 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid +CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O FLG fluoresceinylthioureido +C=O FLH formaldehyde +CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O FLI (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one +Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5 FLJ (3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +C1C[NH+]=C(N1)NNC(=O)CCCl FLK 3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide +c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl FLL octahedral ru-pyridocarbazole +Cc1c(cccc1F)N FLM 3-fluoro-2-methyl-aniline +c1ccc(cc1)C2=CC(=O)c3ccccc3O2 FLN 2-phenyl-4h-chromen-4-one +[F-] FLO fluoro group +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLP flurbiprofen +CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O FLQ n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide +C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLR (2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid +C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLS 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F FLT fluoromalonyl tyrosine +c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O FLU 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid +c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O FLV flaviolin +CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F FLW 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3 FLX n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid +CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLY 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4 FLZ 8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O FM0 (3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid +CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1 FM1 2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol +C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FM2 2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O FM4 [(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid +CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O FM5 3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid +c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O FM6 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid +c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F FM7 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid +c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O FM8 [(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid +CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F FM9 4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide +CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C FMA 6-(3-tetradecanoic acid) flavine mononucleotide +C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMB formycin b +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMC (1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol +C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O FMD 4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +CSCC[C@@H](C(=O)O)NC=O FME n-formylmethionine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O FMF 2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F FMG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N FMH 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide +CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C FMI fe-(4-mesoporphyrinone)-r-isomer +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N FMJ 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine +C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C FMK 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F FML 6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F FMM n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FMN flavin mononucleotide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O FMO 2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O FMP formycin-5'-monophosphate +Cc1c(cnn1c2ccc(cc2)F)CO FMQ [1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol +C(=C/C(=O)[O-])\C(=O)[O-] FMR fumarate +C(F)(F)(F)S(=O)(=O)N FMS trifluoromethane sulfonamide +C(=O)O FMT formic acid +C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F FMU 5-fluoro-5-methyluridine-5'-monophosphate +C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C FMV (1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol +CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C FMW ~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4 FMX famoxadone +c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 FMY n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C FMZ (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid +CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O FN0 (3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one +CN1CCC[C@H]1c2cc(cnc2)F FN1 5-fluoronicotine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FN2 (1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O FN3 [(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O FN5 cmp-3f(a)-neu5ac +c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N FN6 (2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +Cc1cc(nc(c1C(=O)O)C)C FN7 2,4,6-trimethylpyridine-3-carboxylic acid +CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O FN8 (~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide +Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C FN9 3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one +c1ccc(cc1)Nc2cccc3c2cccc3 FNA n-phenylnaphthalen-1-amine +C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC FNB 1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4 FNC 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C FND 11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C(#O)[Fe]1(S[Ni]1)(C#O)C#O FNE (mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni) +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O FNF (2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N FNG 5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4 FNH (2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid +c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5 FNI 3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide +CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O FNJ 4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C FNK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3 FNM (5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one +c1cc(c(cc1O)F)[N+](=O)[O-] FNN 3-fluoro-4-nitrophenol +CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C FNO 2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione +c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FNP {[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid +c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FNQ 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FNR 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-] FNS n-sulfo-flavin mononucleotide +C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O FNT (2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O FNU 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) +Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F FNV 4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N FNX (4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O FNY 1-fructofuranosyl-d-nystose +c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F FNZ 4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O FO0 6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O FO1 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol +CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 FO2 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O FO4 sphingomyelin +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N FO5 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile +c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F FO7 {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol +c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FO8 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N FO9 famotidine +c1cc(oc1)C(=O)O FOA 2-furoic acid +CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O FOB [(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O FOC fucitol +c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N FOD (2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid +CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N FOE 2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide +CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C FOF (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N FOG (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C FOH (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO FOI methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate +c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O FOJ 3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile +CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O FOK forskolin +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FOL folic acid +C(CN(C=O)O)CP(=O)(O)O FOM 3-[formyl(hydroxy)amino]propylphosphonic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FON n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O FOO (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid +C[C@H](C[NH3+])O FOP 2-hydroxy-propyl-ammonium +CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O FOQ [(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C=O FOR formyl group +c1ccc(cc1)COC(=O)NCP(=O)(O)O FOS [[n-(benzyloxycarbonyl)amino]methyl]phosphate +C1(=C(NC(=O)NC1=O)C(=O)O)F FOT 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +[C@H]1(C([C@H](NC(=O)N1)O)F)O FOU (5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F FOV n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline +c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FOW 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O FOX ((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 FOY 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FOZ n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO FP0 (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate +CN\1C=CC=C/C1=C/NO FP1 n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine +c1ccc(c(c1)O)F FP2 2-fluorophenol +c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl FP3 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol +c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO FP4 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol +B(CNC(=O)Cc1ccccc1)(O)O FP5 phenylacetamidomethyl boronic acid +C1CCN(C1)C=O FP6 pyrrolidine-1-carbaldehyde +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O FP7 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FP8 (1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C1[C@H](CN[C@@H]1C(=O)O)F FP9 (4r)-4-fluoro-l-proline +C(=O)(C(F)(F)Br)O FPA bromo(difluoro)acetic acid +c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N FPB n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide +C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O FPC d-fructose-6-phosphate (open form) +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O FPD 5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin +C([C@@H](C(=O)O)OP(=O)(O)O)F FPE 3-fluoro-2-(phosphonooxy)propanoic acid +CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C FPF (2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O FPG (1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1 FPH 3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol +C1CCN(CC1)C=O FPI n-formylpiperidine +CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FPJ 5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine +C1C[C@H](N(C1)C=O)C(=O)O FPK 1-formyl-l-proline +c1ccc(cc1)Oc2ccc(cc2O)F FPL 5-fluoro-2-phenoxyphenol +C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O FPM (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +c1cc(ccc1O)F FPN 4-fluorophenol +[O-]P(=O)([O-])F FPO fluoro-phosphite ion +CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPP farnesyl diphosphate +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C FPQ (2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid +c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N FPR (3s)-3-amino-4-oxo-7-phenylheptanoic acid +CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPS s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N FPT n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5 FPU 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5 FPW 1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F FPX n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide +C1=C([C@@H](NC(=O)N1)O)F FPY (4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one +c1ccc(cc1)P(c2ccccc2)c3ccccc3 FPZ triphenylphosphane +CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C FQ0 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ4 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQ5 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl FQ7 2-[(3,5-dichlorophenyl)amino]benzoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O FQ8 [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate +c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N FQA n~6~-benzyl-l-lysine +CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQB 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl FQC 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one +c1cc(ccc1c2csc3c2C(=O)NC=N3)F FQD 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one +CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQE 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C FQF (2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O FQG 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide +c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQH 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1C(=O)N)Cl FQI 5-chloro-2-thiophenecarboxamide +Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl FQJ 2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5 FQK 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O FQL (2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide +c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N FQM 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5 FQN 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O FQP 4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate +CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl FQQ 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQR [(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate +CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC FQT [(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate +C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQU 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +CC#CC[Se]c1ccc(cc1)S(=O)(=O)N FQV 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide +c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N FQW 2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-] FQX [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide +c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2 FQY 4-(cyclohexylselanyl)benzene-1-sulfonamide +C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O FQZ (1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid +c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N FR0 n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O FR1 2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid +c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N FR2 1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide +c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N FR3 1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR4 1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N FR5 1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O FR6 1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O FR7 1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide +c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR8 1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR9 1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide +CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O FRA [4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid +c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N FRB 2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide +C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O FRC 1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide +C[C@H](Cc1ccccc1)N FRD 1-phenyl-2-aminopropane +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O FRE feruloyl coenzyme a +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N FRF phe-reduced-phe +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC FRG 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester +[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O FRH 5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid +CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N FRI 2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br FRJ 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide +CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O FRK n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide +C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O FRL 1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide +Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F FRM 2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone +C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O FRO (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N FRP n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide +c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F FRQ 5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione +C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O FRR (3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4 FRS 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC FRT n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O FRU beta-d-fructofuranose +Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC FRV 4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O FRW 4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl FRX (s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl FRY (2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N FRZ 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +S[Fe]1S[Fe]S1 FS0 fe2/s3 cluster +S=[Fe] FS1 iron/sulfur cluster +O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6 FS2 fe-s-o hybrid cluster +S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6 FS3 fe3-s4 cluster +[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92 FS4 iron/sulfur cluster +S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 FS5 iron/sulfur penta-sulfide connected clusters +C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1 FS7 (2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O FS8 n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide +c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F FS9 1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide +C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O FSA 1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose +c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F FSB n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC FSC fusicoccin +C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O FSD amicetin +c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O FSE 3,7,3',4'-tetrahydroxyflavone +O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3 FSF 4fe-2s-o hybrid cluster +[C@H](C(=O)NO)(F)P(=O)(O)O FSG [(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid +Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FSH (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O FSI 5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O FSJ (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF FSK 6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O FSL (2r)-2-phenylbutanedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O FSM forsmann antigen +c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F FSN (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine +O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S] FSO iron/sulfur/oxygen hybrid cluster +CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F FSP [1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate +C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O FSQ (1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O FSR (2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C FSS 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C FST o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate +COCCCN1Cc2cccc(c2C1=O)C(=O)N FSU 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O FSV 5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O FSW methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside +[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5 FSX bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii) +Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O FSY fevipiprant +[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2 FSZ 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine +c1ccc(cc1)Oc2ccc(cc2O)C=O FT0 3-hydroxy-4-phenoxybenzaldehyde +c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl FT1 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde +c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl FT2 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol +c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl FT3 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol +CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F FT4 [(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid +C1[C@H](C(C(CC1C(=O)O)O)O)O FT5 (3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N FT6 6-fluoro-l-tryptophan +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C FT7 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S FT8 omapatrilat +c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3 FTA 3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F FTB n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl FTC n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F FTD [(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +c1ccc(cc1)N=C=S FTE phenylisothiocyanate +c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O FTG (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide +Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N FTH 1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N FTI 1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl FTJ (2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid +c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F FTK 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione +Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N FTL 4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile +C(C(=O)N)F FTM 2-fluoroacetamide +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F FTN n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O FTO ~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate +Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-] FTP 3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium +CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C FTQ bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold +c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N FTR fluorotryptophane +c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF FTS (3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CCCCCCCCCCC[C@H](CC(=O)O)O FTT 3-hydroxy-tetradecanoic acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F FTU 5-fluorotubercidin +C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl FTV (2r)-2-(2,4-dichlorophenoxy)propanoic acid +CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC FTW 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl FTX (1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O FTY deoxy-difluoromethelene-phosphotyrosine +c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F FTZ n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine +c1cc(oc1)CCOC(=O)O FU0 2-(furan-2-yl)ethyl hydrogen carbonate +C1CCOC1 FU1 tetrahydrofuran +c1cc(oc1)C=O FU2 furfural +c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl FU3 2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O FU4 2,6-anhydro-1-deoxy-d-galactitol +Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F FU5 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine +C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2 FU6 3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide +CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F FU7 2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] FU8 dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+) +c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F FU9 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid +C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C FUA fusidic acid +C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O FUB beta-l-arabinofuranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O FUC alpha-l-fucopyranose +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O FUD d-fructose +C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C FUE 2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O FUF 2-deoxy-2-fluoro-beta-l-fucopyranose +CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C FUG fumagillin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O FUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl FUI n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea +COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O FUJ [(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C FUK 2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O FUL beta-l-fucopyranose +C(=C/C(=O)O)\C(=O)O FUM fumaric acid +c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl FUN 5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5 FUO 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F FUP 2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate +O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O FUQ mo5 cluster +c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-] FUR furazolidone +NS(=O)(=O)N FUS sulfuric diamide +c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3 FUU 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid +c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O FUV (5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine +c1cc(oc1CO)C=O FUX 5-hydroxymethyl-furfural +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O FUY beta-l-fucosyl-azide +c1ccc(c(c1)C(=O)O)NCc2ccco2 FUZ 2-[(furan-2-ylmethyl)amino]benzoic acid +CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O FV0 (2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol +C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O FV1 dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium +[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O] FV2 mo8 cluster +CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C FV3 (2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl FV4 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FV5 (1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl FV7 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O FV8 (4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O FV9 {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +CC(C)[C@@H](C(=O)O)NC=O FVA n-formyl-l-valine +B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O FVC [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl FVD 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FVE (1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O FVF o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl FVG 1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N FVH [[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl FVJ 6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O FVK ~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl FVM 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole +C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O FVN ~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O FVP 2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside +c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O FVQ 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5 FVR 3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O FVS (7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol +C(CC(=O)O)C(=O)CN FVT 5-azanyl-4-oxidanylidene-pentanoic acid +c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F FVV 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole +CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O FVW (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F FVX fluvoxamine +Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F FVY 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine +c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FVZ (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC FW1 fusicoccin a aglycone +C([C@H]([C@H](CO)O)O)C(=O)C(=O)O FW2 l-2-keto-3deoxy-gluconate +Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F FW4 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole +COC[C@H](CO)O FW5 (2~{s})-3-methoxypropane-1,2-diol +CCc1cccc(c1)OP(=O)(O)O FW6 (3-ethylphenyl) dihydrogen phosphate +c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F FW7 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O FW8 1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea +COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4 FW9 n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl FWA 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole +C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N FWB 3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O FWC n-methylanthraniloyl-coa +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F FWD 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N FWE 4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C FWF n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4 FWG cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C FWH 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FWI (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F FWJ 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FWK (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol +C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O FWL 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4 FWM 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CCOCCOCCOCCO FWN 2-[2-(2-ethoxyethoxy)ethoxy]ethanol +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N FWO (2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid +COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWP 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWQ p-sulfonatocalix[6]arene +C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5 FWS (2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWT p-sulfonatocalix[8]arene +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl FWV n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O FWW 4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C FWX 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide +c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWY hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium +Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O FWZ (2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O FX0 (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid +C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O FX1 beta-d-threo-hexo-2,4-diulo-2,5-furanose +CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC FX2 7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one +COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O FX3 5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose +COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O FX4 [(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid +c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol +CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N FX6 (2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid +CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate +Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O FX8 (2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl FXA n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate +Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC FXE 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea +CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2 FXG n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide +CN(C)Cc1c2ccccc2ccc1O FXH 1-[(dimethylamino)methyl]naphthalen-2-ol +CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C FXI 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXJ 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate +c1ccc2c(c1)c(c[nH]2)CO FXK 1~{h}-indol-3-ylmethanol +CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C FXM 2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate +c1cc2c(cc1F)cc([nH]2)C(=O)NCCS FXN 5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide +[H]/N=C(/N)\NCCCCNC(=N)N FXQ 1-(4-carbamimidamidobutyl)guanidine +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O FXR 6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-] FXS 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate +[H]/N=C(/N)\NCCCCCNC(=N)N FXT 1-(5-carbamimidamidopentyl)guanidine +CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N FXU (2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide +C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-] FXV methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate +c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6 FXW 6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N FXX (3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid +CCCCCC[C@@H](C)NC=O FXY 1-methylheptylformamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O FY0 (2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid +COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FY1 n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide +c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O FY2 2,3-difluoro-l-tyrosine +c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N FY3 2,3,5-trifluoro-l-tyrosine +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-] FY4 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate +C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O FY5 estrone 3-sulfate +C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O FY6 (1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol +c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FY7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate +c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O FY8 n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide +CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O FY9 (2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one +c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FYA adenosine-5'-[phenylalaninol-phosphate] +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O FYB ~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide +C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3 FYC 3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide +COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FYD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O FYE 6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide +C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O FYF (1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol +C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N FYG (2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3 FYH 3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC FYI n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide +c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O FYJ phenyl 1-thio-beta-d-glucopyranosiduronic acid +c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O FYK 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O FYL 2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3 FYM 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O FYN s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate +C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N FYO 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F FYP ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N FYQ n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide +c1ccc(cc1)c2ccc(c(c2)O)C(=O)O FYR 2-oxidanyl-4-phenyl-benzoic acid +CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O FYS 4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol +C1=C(C(=O)NC(=O)N1)C=O FYU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde +c1cc2ncc(n2nc1)c3ccncc3 FYV 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F FYW 6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide +c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N FYX 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile +B(c1ccccc1)(c2ccc(cc2)Br)OCCN FYY 2-aminoethyl (4-bromophenyl)phenylborinate +c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FYZ (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol +c1cc(cc(c1)OC(F)(F)F)NC(=O)CN FZ0 2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide +COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5 FZ1 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline +c1cc(ccc1CCCn2ccnc2)Cl FZ3 1-[3-(4-chlorophenyl)propyl]imidazole +B(c1ccccc1)(c2ccccc2)OCCN FZ4 2-aminoethyl diphenylborinate +CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FZ5 scorzodihydrostilbene a +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N FZ6 (2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide +c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4 FZ8 4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine +c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4 FZ9 4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine +CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC FZA (13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one +CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C FZB 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5 FZE 8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5 FZF 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5 FZH 8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FZI (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C FZJ 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZK 5'-o-(n-(l-seryl)-sulfamoyl)uridine +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O FZL 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(cc1)c2cn3c(n2)CCC3 FZM 2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O FZN (2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O FZO 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F FZP (4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZQ 5'-o-(n-(l-seryl)-sulfamoyl)cytidine +Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4 FZR 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O FZS (2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZT 5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine +C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O FZU (2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 FZV tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F FZW 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(cc1)Cn2ccnc2C(=O)O FZX 1-(phenylmethyl)imidazole-2-carboxylic acid +Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C FZZ 1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G guanosine-5'-monophosphate +[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC G00 4-butoxy-3-chlorobenzyl imidothiocarbamate +C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O G01 n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F G02 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O G03 methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC G04 (3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC G05 (4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O G06 methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O G07 4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N G08 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5 G09 2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N G0B (1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O G0C [6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0D tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F G0E 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O G0F [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5 G0G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide) +Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0H 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0J nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide +Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0K 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0M tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F G0N 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2 G0O (s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide +c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O G0P n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl G0Q ~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +[H]/N=C(/N)\NCCCCNC(=O)C G0R n-(4-carbamimidamidobutyl)ethanamide +C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O G0S 3-(beta-d-galactopyranosylthio)propanoic acid +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O G0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O G0U 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0V tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] G0W 1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil +c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl G0X 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0Y tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O G0Z [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N G10 (3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4 G11 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide +CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br G12 3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC G13 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide +c1ccc(cc1)c2[nH]cc(n2)C(=O)O G14 2-phenyl-1h-imidazole-4-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl G15 5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O G16 1,6-di-o-phosphono-alpha-d-glucopyranose +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F G17 n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc2c(c1)-c3ccsc3NC2=O G18 4h-thieno[2,3-c]isoquinolin-5-one +C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O G19 (2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N G1C 5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G1D nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N G1E (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O G1G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine +C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C G1H 2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3 G1J tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O G1K 5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid +CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F G1L 3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide +C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G1M 2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine +c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O G1N 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC1=CNC(=O)c2c1c(ccc2)N G1O 5-amino-4-methylisoquinolin-1(2h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O G1P 1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N G1R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC G1S diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1T 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO G1W methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate +C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N G1X (2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid +c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4 G1Y n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1Z 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O G20 5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C G21 5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C G23 (2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid +Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O G24 [4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G25 guanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C G26 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide +c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO G27 (3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol +CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C G28 5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C G29 (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO G2A 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate +C[C@@H]([C@@H](CNC(=O)N)N)O G2B 1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N G2C 2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5 G2D n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O G2F 2-deoxy-2-fluoro-alpha-d-glucopyranose +Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6 G2G 5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium +C(C(CO)OP(=O)(O)O)O G2H 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO G2I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5 G2J n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O G2K 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O G2L 3'-o-methyoxyethyl-guanosine-5'-monophosphate +CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G2M 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3 G2N ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C G2O chlorophyll a ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N G2P phosphomethylphosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N G2Q guanosine diphosphate ribose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N G2R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N G2S guanosine-5'-dithiophosphorate +CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC G2T diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate +CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4 G2V 6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline +C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F G2X 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O G2Y 1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside +C[C@@H](CNC(=O)O)N G2Z [(2~{s})-2-azanylpropyl]carbamic acid +c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F G30 (1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid +C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N G31 3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G32 o6-methyl-2'-deoxy-guanosine-5'-monophosphate +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N G33 8-methyl-2'-deoxyguanosine 3'-monophosphate +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C G34 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate +[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O G35 (5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G36 o6-ethyl-2'-deoxyguanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C G37 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N G38 3'-amino-2'-deoxy-guanosine-5'-monophosphate +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O G39 (3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G3A guanosine-p3-adenosine-5',5'-triphosphate +Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C G3B 2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole +c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O G3C (1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N G3D guanosine-3'-monophosphate-5'-diphosphate +c1ccc2c(c1)C=C(C(=O)N2)O G3E 3-hydroxyquinolin-2(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O G3F 3-deoxy-3-fluoro-beta-d-glucopyranose +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N G3G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide) +C([C@H](C=O)O)OP(=O)(O)O G3H glyceraldehyde-3-phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO G3I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl G3J 1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one +CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl G3K 2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C G3L nomilin +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O G3M (3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N G3N (2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O G3O (1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol +C([C@H](COP(=O)(O)O)O)O G3P sn-glycerol-3-phosphate +CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O G3Q r-talinolol +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2 G3R 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol +CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O G3S 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid +CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3 G3T 1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F G3U 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO G3V n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid +c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F G3W 2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O G3X (4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol +CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4 G3Z 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O G40 methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O G42 8-oxo-2'-deoxy-guanosine-5'-monophosphate +CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC G43 [(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate +[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N G44 4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N G45 5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N G46 guanosine-5'-monothiophosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS G47 n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O G48 2'-o-methyoxyethyl-guanosine-5'-monophosphate +CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 G49 n2-methyl-2'-deoxy-guanosine-5'-monophosphate +CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O G4A 2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium +CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C G4B thalassospiramide c +C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O G4C 2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone +C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO G4D 4-deoxy-alpha-d-glucopyranose +Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4 G4E ~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N G4F [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N G4G 4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4H ~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide +Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F G4J [(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4K borussertib +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O G4M [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4N ~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide +CC(C)N G4O propan-2-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N G4P guanosine-5',3'-tetraphosphate +CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4Q ~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O G4S 4-o-sulfo-beta-d-galactopyranose +CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4T ~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide +CCCCCCCCCCCCCC=S G4U tetradecanethial +[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F G4V (z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine +c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N G4W 6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile +CCCCCCCCCCCCCCCC=S G4X hexadecanethial +[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5 G4Y n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl G4Z (1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol +c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O G50 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F G51 (5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G52 (3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC G53 methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate +C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N G54 [(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC G55 (5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F G56 (2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N G57 2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F G58 n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C G59 (5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N G5A 5'-o-(glycylsulfamoyl)adenosine +C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl G5B (3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N G5C 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N G5D 4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide +c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F G5E 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione +C[C@](C[C@@H](C(=O)O)N)(CO)O G5G (2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5H 5'-o-(n-(l-aspartyl)-sulfamoyl)uridine +COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O G5J 5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G5K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one +CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O G5L 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O G5M (2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5N 5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl G5O 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G5P p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5Q 5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine +Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4 G5R 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea +c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3 G5T 3-(6-morpholin-4-ylpyridin-2-yl)phenol +CC1=C(C(=O)C(=CO1)O)C(=O)O G5V 5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N G5W (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N G5X 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide +C1=COC(=C(C1=O)O)C(=O)O G5Y 3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N G5Z (2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide +Cc1c(c2cc(ccc2[nH]1)Cl)CCN G60 2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC G61 tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4 G62 3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N G63 mannose-alpha-1,3-2-aminodeoxymannojirimycin +Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O G64 n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C G65 masitinib +CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC G67 (3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide +c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 G68 3-[6-(oxan-4-yl)pyridin-2-yl]phenol +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO G69 n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de +Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4 G6A n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N G6B (2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide +C1=CC(=O)NC=C1O G6C 5-oxidanyl-1h-pyridin-2-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O G6D alpha-d-quinovopyranose +C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N G6E (2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N G6F 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C G6G n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F G6H n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F G6I n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide +CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F G6J (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one +CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G6K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one +CCCN[C@H]1CCc2c(sc(n2)N)C1 G6L (6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3 G6M 2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O G6O (4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O G6P 6-o-phosphono-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O G6Q glucose-6-phosphate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G6R n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O G6S 6-o-sulfo-beta-d-galactopyranose +c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N G6T 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide +CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F G6U ~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3 G6V 2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N G6W 2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O G6X 2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O G6Y 3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid +CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N G6Z 1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C G70 (2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid +c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G71 n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O G72 (1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N G73 (2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C G74 ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 G75 ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] G76 [2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate) +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G77 (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G79 (3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F G7A (5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid +CC(=O)c1csc(n1)NC(=O)C(C)(C)N G7B 2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide +c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O G7D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid +CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4 G7E ~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O G7G genistein-7-o-glucuronide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O G7H (2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1C=C2C=C(C(=O)C=C2N1)O G7J 5-hydroxy-1,2-dihydro-6h-indol-6-one +COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F G7K trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O G7M n7-methyl-guanosine-5'-monophosphate +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C G7N (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O G7P 6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose +CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F G7Q (2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F G7T ~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N G7V 4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N G7W (~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C G7X ispinesib mesilate +CNC(=O)CCN1C(=O)CCC1=O G7Z 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C G80 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C G81 ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G82 ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G83 ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5 G84 o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3 G85 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C G86 n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl G87 metosulam +C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O G88 (2s)-2-(phosphonomethyl)pentanedioic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC G89 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC G8A ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N G8B 3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC G8C 1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O G8D [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N G8E 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide +COc1cccc(c1)S(=O)(=O)N G8F 3-methoxybenzenesulfonamide +Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C G8G (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate +c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3 G8H 2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3 G8J 6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4 G8K [2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +c1cc2cccnc2c(c1)S(=O)(=O)N G8L quinoline-8-sulfonamide +C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O G8M (1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N G8N 3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +COc1cc(c(cc1c2cccs2)C(=O)O)OC G8O 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid +CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O G8Q (1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G8R (1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl G8S 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O G8T (1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol +Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl G8U 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +CN(C)c1cc[n+](cc1)Cc2ccccc2 G8V 1-benzyl-4-(dimethylamino)pyridinium +c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F G8W (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1CN[C@@H]([C@@H]1O)C(=O)O G8X (2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid +c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G8Y (8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO G8Z prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside +CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O G90 2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile +c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G91 (8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F G92 [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone +CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4 G93 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol +c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G94 n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4 G95 n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide +CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4 G97 n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide +CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4 G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C(/C=C/C(=O)O)C(=O)O G9A (2e)-pent-2-enedioic acid +CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N G9B n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide +C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F G9C n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide +c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4 G9D 3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one +COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F G9E [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone +CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O G9F 2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3 G9G 2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one +CN(C)Cc1nc2cccc3c2n1CCNC3=O G9H 2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5 G9I 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O G9J (2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol +COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5 G9K [2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4 G9L 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one +c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O G9M n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide +COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl G9N (2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide +CCCCCCCCCCCCCC(=O)NO G9O n-oxidanyltetradecanamide +c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O G9P (11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid +CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C G9Q 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C G9R chlorophyll d isomer +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O G9S s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br G9U (6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5 G9V 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O G9W (3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl G9X (6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4 G9Y 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O G9Z agropinic acid +[Ga+3] GA gallium (iii) ion +C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN GA0 glycylalanyl-n-2-naphthyl-l-prolineamide +c1nc2c(n1COC(CO)CO)N=C(NC2=O)N GA2 9-(1,3-dihydroxy-propoxymethane)guanine +C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O GA3 gibberellin a3 +C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O GA4 gibberellin a4 +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA5 tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O GA6 3-[4-(methylsulfonylamino)phenyl]benzoic acid +C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O GA7 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA8 tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate +c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl GA9 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one +c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] GAA 3-nitrophenyl alpha-d-galactopyranoside +c1cc(cc(c1)N)C(=O)O GAB 3-aminobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO GAC dihydro-acarbose +C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O GAD 2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid +[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O GAE d-galactaric acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O GAF 2-deoxy-2-fluoro-alpha-d-galactopyranose +c1c(c(no1)O)C(=O)O GAG 3-hydroxyisoxazole-4-carboxylic acid +[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N GAH n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide +C(=N)(N)N GAI guanidine +c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4 GAJ n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide +S1[Ga]S[Ga]1 GAK [2ga-2s] cluster +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GAL beta-d-galactopyranose +C[C@](CCC(=O)O)(C(=O)O)N GAM alpha-methyl-l-glutamic acid +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N GAN 2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N GAO guanine arabinose-5'-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N GAP glycyl-adenosine-5'-phosphate +C(CCO)CC=O GAQ 5-hydroxypentanal +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-] GAR glycinamide ribonucleotide +c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N GAS n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid +c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O GAT 4-aminophenyl alpha-d-galactopyranoside +C(CC(=O)O)[C@@H](CO)N GAU (4s)-4-amino-5-hydroxypentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N GAV guanosine-5'-rp-alpha-thio-triphosphate +Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C GAW 2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide +c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 GAX 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea +COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GAZ l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine +CP(=O)(O)O GB methylphosphonic acid ester group +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GB0 bacteriochlorophyll g' +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB1 (2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB2 (2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O GB3 (2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol +c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO GB4 (2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide +c1cc(ccc1\C=C\C(=O)NO)Cl GB5 (2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O GB6 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one +CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2 GB7 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N GB8 (2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F GB9 n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N GBA 8-bromoadenosine +C1CC(C=C(C1)C(=O)O)N GBC gabaculine +c1(c(nsn1)O)C(=O)O GBD 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid +C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O GBE 3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GBF bacteriochlorophyll g +[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N GBG n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine +C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O GBH 2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid +c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBI s-(3-iodobenzyl)glutathione +CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C GBJ 4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol +COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3 GBK (2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine +C1CC(=O)OC1 GBL gamma-butyrolactone +COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl GBM 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide +C1CCC(CC1)(CC(=O)O)CN GBN [1-(aminomethyl)cyclohexyl]acetic acid +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 GBO (2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br GBP s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F GBQ 5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N GBR 5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O GBS 4-carbamimidamidobenzoic acid +Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5 GBT (8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one +Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C GBU (1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol +c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3 GBV n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O GBW (2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBX 2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid +c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O GBZ (2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O GC1 2,6-anhydro-l-gulonic acid +CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O GC2 6-acetamido-6-deoxy-castanospermine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O GC3 (3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O GC4 4-deoxy-beta-d-glucopyranuronic acid +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N GC6 [(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone +C(CCCN)CCCNC(N)N GC7 1-guanidinium-7-aminoheptane +c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl GC8 2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide +C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O GC9 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C GCA 6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil +[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O GCB (2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid +C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N GCC [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O GCD 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC GCE (2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N GCF 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N GCG bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C GCH glycocholic acid +c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O GCK phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O GCL 1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane +CC(=O)CN GCM glycylmethylene group +C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N GCN 2-amino-2,3-dideoxy-alpha-d-glucoyranose +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O GCO d-gluconic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GCP phosphomethylphosphonic acid guanylate ester +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F GCQ gemcitabine diphosphate +CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C GCR gallichrome +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O GCS 2-amino-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O GCT 2,6-anhydro-3-deoxy-l-xylo-hexonic acid +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O GCU alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O GCV 4-o-methyl-alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O GCW 4-o-methyl-beta-d-glucopyranuronic acid +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O GCY n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2 GCZ n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide +[Gd] GD gadolinium atom +CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I GD0 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol +[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N GD1 2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[Gd+3] GD3 gadolinium ion +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C GD4 (5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione +Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl GD5 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +C[C@H](C(C)(C)C)O[P@@H](=O)C GD7 (1r)-1,2,2-trimethylpropyl (r)-methylphosphinate +C[C@H](C(C)(C)C)O[P@H](=O)C GD8 (1r)-1,2,2-trimethylpropyl (s)-methylphosphinate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6 GD9 2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O GDA 4-amino-4-deoxy-beta-d-glucopyranose +c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDB 1-(s-glutathionyl)-2,4-dinitrobenzene +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDC guanosine-5'-diphosphate-beta-l-galactose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDD guanosine-5'-diphosphate-alpha-d-mannose +c1c(cc(c(c1O)O)O)C(=O)O GDE 3,4,5-trihydroxybenzoic acid +CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC GDF vinorelbine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N GDG gdp-alpha-d-glucose +Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC GDH 7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3 GDI (2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide +Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3 GDK 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O GDL 2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC GDM geldanamycin +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDN glutathione s-(2,4 dinitrobenzene) +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N GDO 3'-deoxy-guanosine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GDP guanosine-5'-diphosphate +C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO GDQ (1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GDR guanosine-5'-diphosphate-rhamnose +C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GDS oxidized glutathione disulfide +CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O GDT (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O GDU galactose-uridine-5'-diphosphate +CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3 GDV (5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide +CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2 GDW 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N GDX guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester +c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3 GDY (5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C GDZ 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one +CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O GE0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate +C1C[C@H]([C@H](O[C@@H]1CN)O)N GE1 2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose +C1[C@H](CC(C[C@H]1N)O)N GE2 3,5-diamino-cyclohexanol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O GE3 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC GE5 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F GE6 [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C GE7 (2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid +CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl GE8 2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide +C1CN(CCN1CCC=O)CCC=O GEB 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal +COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O GEC 4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +CCOC(=O)CN GEE ethyl glycinate +COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O GEF 4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +C\C=C(/CCC(=O)O)\N GEG (4e)-4-aminohex-4-enoic acid +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl GEH 2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F GEI (2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N GEK (2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate +CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O GEL 1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine +C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N GEM (2-guanidinoethylmercapto)succinic acid +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O GEN genistein +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F GEO gemcitabine +C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O GEP n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion +c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6 GEQ 5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C GER geran-8-yl geran +CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C GES 3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name) +C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O GET geneticin +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C GEU 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione +Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 GEV (5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC GEW 3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide +CSc1ccccc1N2CCNCC2 GEX 1-(2-methylsulfanylphenyl)piperazine +CCCCCCCCC/C=C\C(=O)O GEY (2z)-dodec-2-enoic acid +Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C GEZ 6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N GF0 2'-deoxy-2'-fluoroguanosine +C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O GF1 (2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GF2 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)COC23CCNCC3 GF3 spiro[1h-2-benzofuran-3,4'-piperidine] +CCC1=C(NN(C1=O)c2[nH]nnn2)C GF4 4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one +C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GF5 (2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +c1cc(cc(c1)NC(=O)N)C(F)(F)F GF6 1-[3-(trifluoromethyl)phenyl]urea +CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O GF7 (3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid +c1cc(c(cc1CC(=O)NCCS)Cl)Cl GF8 2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide +CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl GF9 2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl GFA 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GFB guanosine-5'-diphosphate-beta-l-fucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GFC 5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C GFE 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N GFF 2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N GFH 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6 GFJ 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine +COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F GFK 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GFL 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O GFM 2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F GFN 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4 GFO 2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O GFP 2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose +CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GFQ 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O GFR 4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1 GFT (2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid +COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O GFU 4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O GFV hydroxy pioglitazone (m-iv) +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C GFW ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5 GFZ 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide +C(C(=O)NCC(=O)O)N GG0 2-(2-azanylethanoylamino)ethanoic acid +CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4 GG1 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid +COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O GG2 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide +C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O GG3 {1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-] GG4 (2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide +c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F GG5 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine +C[C@@H]([C@@H](O)P(=O)(O)O)O GG6 [(1s,2s)-1,2-dihydroxypropyl]phosphonic acid +C[C@H](N)P(=O)(O)O GG7 [(1r)-1-aminoethyl]phosphonic acid +c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GG8 ~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O GG9 (3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N GGA d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide +[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N GGB l-canavanine +c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GGC 1-menaphthyl glutathione conjugate +CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC GGD nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester +COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O GGE (1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N GGF 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one +C(C(=O)NCC(=O)NCC(=O)O)N GGG glycylglycylglycine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N GGH 2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine +COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N GGJ 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine +CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GGK 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)N GGL gamma-l-glutamic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O GGM 3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate +CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GGN 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2 GGO (4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one +c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O GGP beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose +CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C GGS phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid +Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O GGT trioxacarcin a +CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC GGV methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC GGW methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate +Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C GGX methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C GGY 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N GGZ (2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide +COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3 GH1 (5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GH2 ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N GH3 3'-deoxy-guanosine-5'-triphosphate +[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F GH4 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile +c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F GH5 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one +C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O GH7 (3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5 GH8 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide +C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O GHA 1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt +CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F GHB 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHC n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O GHE (2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid +C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O GHG (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name) +C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C GHJ (3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N GHK 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide +c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O GHM benzene-1,2,4-tricarboxylic acid +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GHN ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1cc(ccc1[C@H](C(=O)O)N)O GHP (2r)-amino(4-hydroxyphenyl)ethanoic acid +c1ccc(cc1)C(=O)NCCC(F)(F)F GHQ ~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl GHR [[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate +[H]/N=C(\N)/NCCCCCC(=O)O GHS 6-carbamimidamidohexanoic acid +CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O GHT boldine +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC GHU ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate +CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO GHV (2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide +Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHW n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 GHX (phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHY propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHZ 2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O GI1 methoxycarbonyl-substituted glucoimidazole +COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GI2 methyl acetate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O GI3 carboxylate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O GI4 methyl acetic acid-substituted glucoimidazole +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N GI6 (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N GI8 (4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O GIA 3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O GIC n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine +C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO GIF d-galacto-isofagomine +COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F GIG methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate +[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N GIL 2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid +c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GIM glucoimidazole +CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3 GIN 2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide +C1C[C@H]2C(=O)NCC(=O)N2C1 GIO cyclo-(glycine-l-proline) inhibitor +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I GIP s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione +Cn1c2ccc3c(c2nc1N)cccn3 GIQ 3-methyl-3h-imidazo[4,5-f]quinolin-2-amine +c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O GIR girodazole +CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl GIS ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate +CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3 GIT [1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate +C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O GIV beta-l-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C GIX protoporphyrin ix containing ga +Cc1cc(ccc1OCc2cccc(n2)CO)OC GJ1 {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GJ2 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GJ5 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N GJ7 2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GJ8 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N GJA 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O GJB 1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N GJD 4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide +c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-] GJE 4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ncc1C(=O)N)NC2CCCCC2 GJG 6-(cyclohexylamino)pyridine-3-carboxamide +CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N GJJ 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide +CC(=O)/C=C/c1ccc(c(c1)OC)O GJK (~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one +Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C GJL 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one +CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-] GJO 4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide +c1ccc2c(c1)c(c(cn2)C(=O)O)O GJP 4-hydroxyquinoline-3-carboxylic acid +c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-] GJQ (2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine +c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl GJR 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine +c1cc(c(cc1O)C(=O)O)C(=O)O GJS 4-hydroxybenzene-1,2-dicarboxylic acid +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O GJT (3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid +C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl GJU 9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N GJV 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine +c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4 GJW 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one +CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F GJY methyl-9z,12z,15z-octadecatrienylphosphonofluoridate +c1ccc(cc1)[C@@H]2C[C@H]2N GJZ (1r,2s)-2-phenylcyclopropanamine +c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O GK0 3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide +Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O GK1 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde +B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O GK2 [(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid +Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C GK3 n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C GK4 n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4 GK5 n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5 GK6 n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C GK7 methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N GK8 {[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl +COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl GK9 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C GKA (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide +Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F GKB (2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide +C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GKC (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N GKD guanosine 5'-diphosphate-4-keto-beta-l-gulose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GKE guanosine 5'-diphosphate-beta-l-gulose +c1cc(c2c(c1)c(n[nH]2)I)C=O GKF 3-iodanyl-1~{h}-indazole-7-carbaldehyde +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C GKG 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O GKH [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate +CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C GKJ pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N GKK 2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile +CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N GKL n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C GKM 1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O GKN 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid +c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O GKP (2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid +c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4 GKQ ~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide +[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O GKR d-glucarate +C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O GKS 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol +Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4 GKT 3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +C[C@H](Cc1ccc(cc1)O)NC GKU 4-[(2r)-2-(methylamino)propyl]phenol +COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO GKW 1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2 GKX (2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid +CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC GKY n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine +Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl GKZ 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide +C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O GL0 beta-d-gulopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O GL1 1-o-phosphono-alpha-d-galactopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O GL2 (5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +C(C(=O)S)N GL3 thioglycin +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O GL4 (5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O GL5 (5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC GL6 n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine +CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL7 8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O GL8 galanthamine derivative +CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL9 n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLA alpha-d-galactopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GLB beta-d-galactose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLC alpha-d-glucopyranose +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O GLD 4,6-dideoxy-alpha-d-xylo-hexopyranose +CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC GLE 1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O GLF alpha-d-glucopyranosyl fluoride +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O GLG alpha-d-glucopyranosyl-2-carboxylic acid amide +C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N GLH n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O GLI ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome +C(CC(O)O)[C@@H](C(=O)O)N GLJ 5,5-dihydroxy-l-norvaline +C(CC(=O)O)[C@@H](C(O)O)N GLK (4s)-4-amino-5,5-dihydroxypentanoic acid +C12C(NC(=O)N1)NC(=O)N2 GLL glycoluril +CC(=O)CN GLM 1-amino-propan-2-one +C(CC(=O)N)[C@@H](C(=O)O)N GLN glutamine +C(CC(=O)N)[C@@H](C(=O)[O-])[NH-] GLN_LEO2 l-glutamine c-terminal deprotonated fragment +C(CC(=O)N)[C@@H](C(=O)O)[NH-] GLN_LEO2H l-glutamine c-terminal protonated fragment +C(CC(=O)N)[C@@H](C(=O)O)N GLN_LFOH l-glutamine free neutral +C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] GLN_LFZW l-glutamine free zwitterion +C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL l-glutamine - linking embedded fragment +C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 l-glutamine n-terminal protonated fragment +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O GLO d-glucose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O GLP 2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C(CC(=O)O)C(C=O)N GLQ 4-amino-5-oxo-pentanoic acid +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] GLR 2,3-dihydroxy-5-oxo-hexanedioate +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O GLS beta-d-glucopyranose spirohydantoin +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O GLT 5-thio-alpha-d-glucopyranose +C(CC(=O)O)[C@@H](C(=O)O)N GLU glutamic acid +C(CC(=O)O)[C@@H](C(=O)[O-])[NH-] GLU_LEO2 l-glutamic acid c-terminal deprotonated fragment +C(CC(=O)O)[C@@H](C(=O)O)[NH-] GLU_LEO2H l-glutamic acid c-terminal protonated fragment +C(CC(=O)[O-])[C@@H](C(=O)O)[NH-] GLU_LEO2H_DHE2 l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2 +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-] GLU_LEO2_DHE2 l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)O)N GLU_LFOH l-glutamic acid free neutral +C(CC(=O)[O-])[C@@H](C(=O)O)N GLU_LFOH_DHE2 l-glutamic acid-free neutral/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+] GLU_LFZW l-glutamic acid free zwitterion +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GLU_LFZW_DHE2 l-glutamic acid-free zwitterion/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL l-glutamic acid - linking embedded fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 l-glutamic acid n-terminal protonated fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2 +C(=O)C(=O)O GLV glyoxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O GLW 6-deoxyglucose +*=C(*)CC[C@@H](C(=O)O)N GLX glu/gln ambiguous +C(C(=O)O)N GLY glycine +C(C(=O)[O-])[NH-] GLY_LEO2 l-glycine c-terminal deprotonated fragment +C(C(=O)O)[NH-] GLY_LEO2H l-glycine c-terminal protonated fragment +C(C(=O)O)N GLY_LFOH l-glycine free neutral +C(C(=O)[O-])[NH3+] GLY_LFZW l-glycine free zwitterion +C([C-]=O)[NH-] GLY_LL l-glycine - linking embedded fragment +C([C-]=O)[NH3+] GLY_LSN3 l-glycine n-terminal protonated fragment +C(C=O)N GLZ amino-acetaldehyde +C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O GM0 4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose +C(C(=O)N)N GM1 aminomethylamide +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O GM2 n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O GM3 n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide +C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O GM4 (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol +c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO GM5 ~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC GM6 3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide +c1cc(c(cc1N)C(=O)O)C(=O)O GM7 4-aminobenzene-1,2-dicarboxylic acid +CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O GM8 (2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid +CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3 GM9 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +C(CC(=O)O)[C@@H](C(=O)N)N GMA 4-amido-4-carbamoyl-butyric acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMB 1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O GMC (2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO GMD (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol +COC(=O)CC[C@@H](C(=O)O)N GME 5-o-methyl-glutamic acid +[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC GMF 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine +c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O GMG [4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O GMH l-glycero-alpha-d-manno-heptopyranose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O GMI [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F GMJ 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O GMK (3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GMM glucose monomycolate +CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC GMN 2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium] +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O GMO {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N GMP guanosine +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C GMQ 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one +CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C GMR 3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N GMS 2'-deoxyguanosine-5'-monoselenophosphate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O GMT (2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N GMU 2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N GMV guanosine-5'-phosphovanadate +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O GMW (9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O GMX 2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one +C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC GMY geldanamycin +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMZ 1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN0 (2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O GN1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN2 (2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N GN3 [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O GN4 2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose +CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 GN5 2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one +c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N GN6 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N GN7 n7-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S GN8 (z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C GN9 gallinamide a, bound form +CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N GNA 2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid +c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GNB s-p-nitrobenzyloxycarbonylglutathione +CN[C@@H](CCC(=O)N)C(=O)O GNC n~2~-methyl-l-glutamine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+] GND 2-amino-5-guanidino-pentanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O GNE 1,n2-ethenoguanine +COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3 GNF n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N GNG 2'-deoxy-guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N GNH aminophosphonic acid-guanylate ester +c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl GNI (3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid +c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O GNJ 4-hydroxy-8-sulfoquinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl GNK (1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one +CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O GNL (3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O GNM 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4 GNO 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GNP phosphoaminophosphonic acid-guanylate ester +C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3 GNQ n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide +c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO GNR 2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O GNS 2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose +C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O GNT (-)-galanthamine +COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO GNU (2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O GNV 4-hydroxyquinoline-3,8-dicarboxylic acid +c1cc(cc(c1)Cl)CN2CCNCC2 GNW 1-[(3-chlorophenyl)methyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O GNX 2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +CC(C)c1cccc2c1ncc(c2O)C(=O)O GNY 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F GNZ (1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one +c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl GO0 3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid +c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl GO1 3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid +[H]/N=C(/N)\Nc1nc2ccccc2s1 GO2 1-(1,3-benzothiazol-2-yl)guanidine +c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl GO5 (1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one +COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO GO6 (2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O GO7 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide +CC(C)Sc1[nH]c2c(ncnc2n1)N GO8 8-propan-2-ylsulfanyl-7~{h}-purin-6-amine +C(COCCOCC(CO)(COCCO)COCCO)O GO9 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol +C(C(=O)O)O GOA glycolic acid +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC GOB 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOC n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F GOD 6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide +CCCNC(=O)Nc1cccc(n1)C GOE 1-(6-methylpyridin-2-yl)-3-propyl-urea +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOF n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +c1cc(c(c(c1)O)C(=O)O)C(=O)O GOG 3-hydroxybenzene-1,2-dicarboxylic acid +c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4 GOH 5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole +c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O GOI 2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside +CCOC(=O)c1c[nH]nc1 GOJ ethyl 1~{h}-pyrazole-4-carboxylate +Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO GOK 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide +C(C(CO)O)O GOL glycerol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N GOM glutamol-amp +c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N GON 1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide +CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N GOO (1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol +C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O GOP glucopine +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid +C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O GOS d-glucitol-1,6-bisphosphate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC GOT phospholipid pg(16:0/cy17:0) +CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GOU 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine +C[C@@H](CNCc1ccc2c(c1)OCO2)O GOV (2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol +Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GOW 3-benzamido-4-methyl-~{n}-oxidanyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O GOX (2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol +C1CCN(CC1)C(=O)N2CCCCC2 GOY di(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N GOZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F GP0 5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O GP1 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GP2 phosphomethylphosphonic acid guanosyl ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP3 diguanosine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O GP4 2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP5 diguanosine-pentaphosphate +[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N GP6 1-(4-amidinophenyl)-3-(4-chlorophenyl)urea +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC GP7 (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N GP8 1-(2-amidinophenyl)-3-(phenoxyphenyl)urea +C(C(COP(=O)([O-])[O-])O)O GP9 (2r)-2,3-dihydroxypropyl phosphate +[H]/N=C(/N)\NC[C@@H](C(=O)O)N GPA 2-amino-3-guanidino-propionic acid +Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GPB n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N GPC 2'-fluoroguanylyl-(3'-5')-phosphocytidine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N GPD (2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl +C(CO[P@](=O)(O)OC[C@@H](CO)O)N GPE l-alpha-glycerophosphorylethanolamine +C(C(=O)O)NCP(=O)(O)O GPF n-(phosphonomethyl)glycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N GPG guanylyl-2',5'-phosphoguanosine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPH 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2 GPI (2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate +C(C(=O)O)[NH2+]CP(=O)(O)O GPJ glyphosate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F GPK 5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N GPL lysine guanosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O GPM (1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N GPN 2-aminoethylglycine-carbonylmethylene-guanine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPO 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C GPP geranyl diphosphate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl GPQ 5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPR (9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene +c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPS l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O GPT (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br GPU 5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I GPV 1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F GPW 1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N GPX guanosine 5'-diphosphate 2':3'-cyclic monophosphate +CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GQ0 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O GQ1 4-o-sulfo-alpha-d-glucopyranose +CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N GQ3 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C GQ5 1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N GQ6 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine +c1cc(ccc1c2ccc(o2)CO)N GQ7 [5-(4-aminophenyl)furan-2-yl]methanol +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6 GQ8 1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N GQ9 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine +CN1C=CC=C(C1=S)O GQA 1-methyl-3-oxidanyl-pyridine-2-thione +c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N GQB ~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide +Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br GQC 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium +C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O GQD (e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GQE 3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3 GQG n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine +C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQH (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O GQJ methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GQK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O GQL (e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol +COc1ccc(c(c1)O)c2cc[nH]n2 GQM 5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol +COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO GQN 4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C GQO 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)F GQP 1-[(4-fluorophenyl)methyl]benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2 GQQ ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide +c1ccc2c(c1)CC[C@@H]2N GQR (1~{s})-2,3-dihydro-1~{h}-inden-1-amine +Cc1nnc(s1)Nc2cccc(c2)F GQS n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQT (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O GQU (3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CN1C=CC=C(C1=O)O GQV 1-methyl-3-oxidanyl-pyridin-2-one +c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO GQW ~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide +COc1cc(ccc1N)N2CCOCC2 GQY 2-methoxy-4-morpholin-4-yl-aniline +c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO GQZ ~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide +CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C GR0 geranylgeranyl monophosphate +CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O GR1 6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid +CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O GR2 (3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C GR3 3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C GR4 r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR5 (2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR6 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate +COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR8 (2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N GR9 3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O GRA glutaryl-coenzyme a +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O GRB 8-bromoguanosine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GRC 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3 GRD benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate +c1cc(c(c(c1)O)C(=O)O)O GRE 2,6-dihydroxybenzoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O GRF 5-o-phosphono-beta-d-ribofuranosylamine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C GRG geranylgeranyl diphosphate +C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl GRH (2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide +COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O GRI 6-formyl-9-methoxyphenazine-1-carboxylic acid +COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO GRK 4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO GRL (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5 GRM n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +C[C@@](c1ccccc1)(C(=O)O)N GRN 2-phenyl-l-alanine +C[C@H](c1ccccc1)C(=O)O GRO r-2-phenyl-proprionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O GRP [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC(=CCC/C(=C/C=O)/C)C GRQ geranaldehyde +CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O GRR (2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid +CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GRT (2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +Cc1c(n2ccccc2n1)C(=O)NCC(C)C GRV 2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide +C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O GRW (2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O GRX (1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol +Cc1cc(nc(n1)Nc2ccc(cc2)N)C GRY ~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine +c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F GRZ 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N GS guanosine-5'-thio-monophosphate +CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C GS0 bacteriochlorophyll a isomer +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O GS1 1-thio-beta-d-glucopyranose +CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC GS2 2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide +CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F GS3 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GS4 4-thio-beta-d-glucopyranose +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl GS5 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl GS6 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C GS7 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GS8 s-hydroxy-glutathione +c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O GS9 naphthalen-2-yl 1-thio-beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O GSA o4-sulfonylgalactose +c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSB s-benzyl-glutathione +CCS[C@@H](C(=O)O)N GSC 2-ethylthio glycine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GSD 4-thio-d-glucose +C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O GSE l-alpha-glycerophosphorylserine +C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSF l-gamma-glutamyl-3-sulfino-l-alanylglycine +CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C GSG 1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSH glutathione +CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSI 2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide +CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl GSJ 1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)- +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl GSK 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O GSL (2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid +CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSM l-gamma-glutamyl-s-methylcysteinylglycine +C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N GSN 2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate +c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O GSO l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N GSP 5'-guanosine-diphosphate-monothiophosphate +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl GSQ 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide +c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSR 2'-deoxy-n2-(r)styrene oxide guanosine monophosphate +c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSS 2'-deoxy-n2-(s)styrene oxide guanosine monophosphate +CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C GST geranyl s-thiolodiphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N GSU o5'-(l-glutamyl-sulfamoyl)-adenosine +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSV 2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N GSW d-gamma-glutamyl-l-cysteinylglycine +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl GSX 5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide +C(CO)n1c2c(nc1S)N=C(NC2=O)N GSY 7-(2-hydroxyethyl)-8-mercaptoguanine +CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 GSZ n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide +Cc1c(c(c(cn1)CO)COC)O GT0 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)COC)O GT1 [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl GT2 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O GT3 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide +COCC(=O)Nc1ccc(cc1)O GT4 ~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN GT5 ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC GT6 (2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] +C1CCC(CC1)NC(=O)CC#N GT7 2-cyano-~{n}-cyclohexyl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GT8 (2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCCCSC[C@@H](C(=O)O)N GT9 s-nonyl-cysteine +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O GTA p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTB s-(p-nitrobenzyl)glutathione +C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O GTC (1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid +C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTD 1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene +[OH] GTE glucose 4-o4 group +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F GTF 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O GTG 7-methyl-guanosine-5'-triphosphate-5'-guanosine +C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C GTH 3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside] +c1ccc(cc1)c2nc(sn2)N3CCNCC3 GTI 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine +CCCn1c2ccccc2nc1NC(=O)CC GTJ ~{n}-(1-propylbenzimidazol-2-yl)propanamide +[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O GTK beta-d-galactofuranuronic acid +C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O GTL (2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O GTM methyl 4-thio-beta-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GTN phosphoaminophosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GTO phosphomethylphosphonic acid-guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GTP guanosine-5'-triphosphate +c1cc(c(cc1O)C(=O)O)O GTQ 2,5-dihydroxybenzoic acid +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O GTR beta-d-galactopyranuronic acid +C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GTS glutathione sulfonic acid +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] GTT glutathione +CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N GTU n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C GTV [(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN GTW ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] GTX s-hexylglutathione +CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GTY l-gamma-glutamyl-s-octyl-d-cysteinylglycine +C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O GTZ (5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] GU0 2,3,6-tri-o-sulfonato-beta-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU1 2,3-di-o-methyl-beta-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU2 2,3-di-o-methyl-alpha-l-idopyranuronic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O GU3 methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O GU4 2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O GU5 2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O GU6 2,3,6-tri-o-sulfo-alpha-d-glucopyranose +c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N GU7 2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O GU8 2,3,6-tri-o-methyl-beta-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O GU9 2,3,6-tri-o-methyl-alpha-d-glucopyranose +C(CC(=O)O)CC(=O)O GUA glutaric acid +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O GUB 9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N GUC n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GUD glucose-uridine-c1,5'-diphosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N GUE 5,10-methenyltetrahydrofolate +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O GUF 2-deoxy-2-fluoro-beta-d-glucopyranuronic acid +CC(C)NC(=O)c1ccc2ccccc2n1 GUG ~{n}-propan-2-ylquinoline-2-carboxamide +O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O GUH mo6 cluster +CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl GUI 5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine +Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4 GUJ 3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine +CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl GUK 6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine +C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O GUL (2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C GUM 4-methyl-umbelliferyl-n-acetyl-chitobiose +c1[nH]c2c(n1)C(=O)NC(=N2)N GUN guanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N GUO [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O GUP alpha-l-gulopyranose +COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3 GUQ 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione +C12C(NC(=O)N1)NC(=O)N2 GUR glycoluril +[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O GUS (e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine +CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O GUT ~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C GUU 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide +Cc1nccc(n1)c2cccc(c2)NC(=O)NC GUV 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea +COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C GUW ~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide +C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-] GUX (1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +CCCn1c(nnn1)NC(=O)c2ccco2 GUY ~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O GUZ 2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F GV0 golvatinib +Cc1c(sc2c1c(ncn2)N(C)C)C GV1 ~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6 GV2 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide +Cc1c(c(n(n1)C)C)NC(=O)CC#N GV4 2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide +CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C GV5 8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N GV6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O GV7 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol +Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C GV8 8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC(=O)Nc1ccsc1C(=O)O GV9 3-(acetylamino)thiophene-2-carboxylic acid +[H]/N=C(/N)\NCCCCC(=O)O GVA 5-{[amino(imino)methyl]amino}pentanoic acid +Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC GVB (3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine +Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O GVC 1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5 GVD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile +COC(=O)CCCN GVE methyl 4-aminobutanoate +c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O GVF benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1c(c[nH]n1)c2ccccc2 GVG 3-methyl-4-phenyl-1h-pyrazole +c1cc2cc[nH]c2nc1 GVH 1h-pyrrolo[2,3-b]pyridine +CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2 GVI n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N GVJ (s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl GVK 6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O GVL o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine +CC(C)(C)C[C@H](CC(=O)O)O GVM (3r)-3-hydroxy-5,5-dimethylhexanoic acid +c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl GVN (2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl GVO (2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl GVP 4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine +c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl GVQ (2r)-2-(4-chlorophenyl)-2-phenylethanamine +c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3 GVR (2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide +CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 GVS ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate +CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO GVT 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol +CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O GVU (2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid +CCC(=O)Nc1ccc(cc1O)C GVV ~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVW (2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GVX l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine +c1cc(ccc1c2nnc(s2)N)O GVY 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVZ (2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C GW0 {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid +Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 GW1 (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone +C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O GW2 (2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N GW3 7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5 GW4 n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide +CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3 GW5 (2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid +C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F GW6 (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate +CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F GW7 n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C GW8 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea +c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] GW9 2-chloro-5-nitro-n-phenylbenzamide +CC(=O)Nc1cccc(c1)NC(=O)COC GWA ~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide +CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3 GWB 4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one +c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2 GWD (3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O GWE n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide +c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F GWF tropifexor +Cn1c2ccccc2c(n1)C(=O)N GWG 1-methylindazole-3-carboxamide +C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C GWH 3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine +CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl GWI n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N GWJ 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide +CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 GWK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N GWL 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide +Cc1ccc(cc1)OP(=O)(O)O GWM (4-methylphenyl) dihydrogen phosphate +O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O GWN mo8 cluster +c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O GWO (2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid +c1c(nc([nH]1)C2CC2)C(=O)N GWP 2-cyclopropyl-1~{h}-imidazole-4-carboxamide +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N GWQ ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine) +CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO GWR 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione +c1cc(cnc1)NC(=O)CC2CCCCC2 GWS 2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4 GWT (2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide +CC(C)NCc1ccc(cc1)N(C)C GWV ~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline +O[Mo](O)(O)(O)O GWW pentakis(oxidanyl)molybdenum +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O GWX (2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid +CN(C[C@@H]1CCOC1)c2c(cncn2)Cl GWY 5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine +CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3 GWZ (2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4 GX0 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N GX1 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine +O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O GX2 mo14o47 cluster +CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C GX3 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F GX4 cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone +CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N GX6 n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +C1CCC(CC1)NC2=CNC(=O)NC2=O GX7 5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC GX8 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid +Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F GXA 5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide +CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O GXB sialylated precision glycomacromolecule +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C GXC n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide +c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl GXD 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)[SeH] GXE benzeneselenol +c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F GXG 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC GXH 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O GXJ (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2 GXK 6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O GXL alpha-l-galactopyranose +c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-] GXM (2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid +COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N GXN [2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate +CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C GXO [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate +C([C@@H](C=O)O)C(=O)C(=O)O GXP (4s)-4-hydroxy-2,5-dioxopentanoic acid +C1CC(CCC1NCCCN)NCCCN GXQ n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine +C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C GXR (8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one +C([C@H](C=O)O)C(=O)C(=O)O GXS (4r)-4-hydroxy-2,5-dioxopentanoic acid +C(=O)C=O GXT ethanedial +Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC GXU 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione +C([C@@H](C=O)O)O GXV l-glyceraldehyde +[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXW cu(ii)-substituted wells-dawson +COc1cc(c(cc1Br)OC)N GXY 4-bromo-2,5-dimethoxyaniline +[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXZ ni(ii)-substituted wells-dawson +C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O GY0 methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate +CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C GY3 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione +c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl GY4 2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O GY5 5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O GY6 2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O GY7 2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O GY8 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O GY9 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O GYA 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3 GYB (8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O GYC [(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N GYD n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide +C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O GYE beta-d-fucofuranose +COC(=O)CCS GYF methyl 3-sulfanylpropanoate +[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O GYG (1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C GYI 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3 GYK (8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F GYL n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)O GYM (2r)-2,3-dihydroxypropyl tetradecanoate +C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O GYN gymnodimine a +COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4 GYO ~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O GYP methyl alpha-d-glucopyranoside +c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N GYQ 2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile +Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4 GYR {(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O GYS [(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O GYT bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine +CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C GYU 2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O GYV 2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose +c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5 GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C GYX n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN GYY n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide +C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O GYZ [(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N GZ0 [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +C1CC(=CC(=O)C1)Nc2[nH]nnn2 GZ2 3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one +C/C(=C\P(=O)(O)O)/C(=O)O GZ3 (e)-2-methyl-3-phosphonoacrylate +Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4 GZ4 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N GZ5 (2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +C(=[NH2+])(N)N GZ6 guanidinium +Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O GZ7 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium +C1=CC(=S)C=C(C1C(=O)O)C(=O)O GZ8 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid +Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C GZ9 (2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3 GZA 2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one +c1ccc(cc1)C(=O)NCC(=O)O GZB 2-benzamidoethanoic acid +[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N GZC n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine +C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2 GZD n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N GZE [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N GZF [(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4 GZG 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid +c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N GZH 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC[C@@H](C(=O)O)NC(=O)C GZJ (2s)-2-(acetylamino)butanoic acid +c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl GZK 1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one +C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O GZL beta-d-galactofuranose +CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl GZM 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl GZN 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC GZO methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate +c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O GZP 1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol +CC(=O)N(C)c1ccc(cc1Cl)Cl GZQ ~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide +Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F GZR 1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one +CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F GZT 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide +Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F GZV (2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl GZW 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C GZX (1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)OC GZY 1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one +[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N GZZ n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine +[H+] H etnam h hydrogen atom +C(CC(=O)O)CS H00 4-sulfanylbutanoic acid +Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O H01 protoporphyrin ix 2,4-disulfonic acid +CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C H02 n-methyl protoporphyrin ix 2,4-disulfonic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C H03 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide +CCOc1ccccc1N2CCNCC2 H04 1-(2-ethoxyphenyl)piperazine +CCCc1nc2ccccc2c3n1nc(n3)N H05 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine +[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N H06 (e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide +CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl H07 (2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl H08 2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC H0A 1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl H0B 6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O H0C [(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate +CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl H0D n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea +CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C H0E (10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol +Cc1cccc(c1)CC(=O)Nc2ccon2 H0G 2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4 H0H ~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O H0I 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid +c1ccnc(c1)c2ccc(s2)C(=S)N H0J 5-(pyridin-2-yl)thiophene-2-carbothioamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO H0K 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol +COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F H0L (2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +c1ccnc(c1)NC(=O)Cc2cccc(c2)O H0M 2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide +c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl H0N 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(cc(c1)O)CC(=O)Nc2cccnc2 H0P 2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl H0Q 2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F H0R (2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 H0S n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5 H0T [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N H0U ~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide +c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N H0V 5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8 H0W 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N H0X [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O H0Y 6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid +CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 H0Z bicuculline methochloride +C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O H10 1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea +CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C H11 (5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one +CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H12 6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one +CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO H13 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide +c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O H14 (2s,3r)-beta-hydroxy-phenylalanine +CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO H15 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3 H16 6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one +C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H17 2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3 H18 6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one +c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+] H19 huprine 19 +CCC(CC)C(=O)Nc1ccccc1O H1A 2-ethyl-n-(2-hydroxyphenyl)butanamide +CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F H1B n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC H1C methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate +C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N H1D (2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3 H1F 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide +COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3 H1G 2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide +C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C H1H 5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid +C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5 H1I n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide +c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F H1J n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide +COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC H1K 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl H1L (2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO H1M methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside +CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5 H1N n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide +Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC H1O 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole +c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O H1P 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one +c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N H1Q adenosine divanadate +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F H1R (2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-] H1S heparin disaccharide i-s +O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O] H1T [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium +c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4 H1U n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C H1V n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +O[V](O)(O)(O)O H1W pentakis(oxidanyl)vanadium +Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C H1X 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H1Y n-(3-chlorophenyl)-2-phenylacetamide +CCCCOc1ccc(cc1)S(=O)(=O)N H1Z 4-butoxybenzenesulfonamide +CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H20 6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl H21 5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl H22 5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide +CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O H23 (1-hydroxydodecane-1,1-diyl)bis(phosphonic acid) +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC H24 (6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl H25 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide +c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O H26 {2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 H27 (2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 H28 (3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione +c1cc(ncc1N)N2CCc3c(ccs3)C2 H29 6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine +CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] H2A (6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate +C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O H2B 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one +c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F H2C 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one +CC[C@H](c1ccccc1)C(=O)Nc2ccon2 H2D (2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide +C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6 H2E 2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one +Cc1ccc(s1)CNC[C@H](C)O H2G (2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C H2H (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H2J n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide +c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3 H2K 1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea +c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 H2L 1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea +c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O H2M 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one +C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C H2N (2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O H2P 1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C H2Q (2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4 H2R n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide +S H2S hydrosulfuric acid +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O H2U 5,6-dihydrouridine-5'-monophosphate +CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O H2V s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate +c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl H2W 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one +C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC H2X 4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol +COc1ccc(cc1)CC(=O)Nc2cccnc2 H2Y 2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide +C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C H2Z (2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide +CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N H30 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine +Cc1ccc(cc1)c2ccccc2N3CCCC3=O H31 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O H32 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C H33 8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO H34 (1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol +c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 H35 n-(furan-2-ylmethyl)-7h-purin-6-amine +[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H36 n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N H37 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide +[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H38 n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3 H39 5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid +COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl H3A n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide +C[Si](C)(C)CCCS(=O)(=O)O H3B 3-trimethylsilylpropane-1-sulfonic acid +C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N H3C n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3 H3D n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5 H3E 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine +Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC H3F tafenoquine +CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 H3G (4-tert-butylpiperidin-1-yl)(phenyl)methanone +CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C H3H 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine +CC1=C(C(=O)C=C1)Oc2cccnc2 H3J 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one +c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O H3K 1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea +C[C@@H](c1ncnn1C)N H3L (1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine +CC1=C[C@@H](OC1=O)O H3M (5r)-5-hydroxy-3-methylfuran-2(5h)-one +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5 H3N 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine +c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl H3P 2,2'-methanediylbis(3,4,6-trichlorophenol) +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5 H3Q 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine +Cc1cc([nH]n1)c2ccccc2 H3R 5-methyl-3-phenyl-1h-pyrazole +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-] H3S heparin disaccharide iii-s +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC H3T phospholipid pg(16:0/cy17:0) +Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O H3U 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid +c1ccc(cc1)CC(=O)Nc2ccon2 H3V n-(1,2-oxazol-3-yl)-2-phenylacetamide +CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O H3W bisphenol-b +C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C H3X methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate +c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O H3Y (3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +CC(C)c1ccc(cc1)O H3Z 4-propan-2-ylphenol +CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO H41 n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1cc2c(cc1O)CCCC2 H42 5,6,7,8-tetrahydronaphthalen-2-ol +C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O H43 2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4 H44 n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4 H45 n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5 H46 ~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide +COc1cccc(c1)CC(=O)Nc2ccon2 H47 2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide +CC(c1ccc(cc1)O)c2ccc(cc2)O H48 4-[1-(4-hydroxyphenyl)ethyl]phenol +c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3 H49 (s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide +c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O H4A (3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O H4B 5,6,7,8-tetrahydrobiopterin +CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C H4C 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O H4D 3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid +CCOC(=O)c1ccc(c(c1)Br)N H4E ethyl 4-azanyl-3-bromanyl-benzoate +c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F H4G 2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide +c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N H4H (1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide +c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N H4K 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O H4L 3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol +C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C H4M 5,10-dimethylene tetrahydromethanopterin +c1cc2c(cc[nH]2)cc1Br H4N 5-bromanyl-1~{h}-indole +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O H4O 5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O H4P 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol +CC[C@@H](C)c1ccc(cc1)O H4Q 4-[(2~{r})-butan-2-yl]phenol +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O H4R 4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O H4S n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide +c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl H4T 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3 H4U 6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine +COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I H4V methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F H4W 6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C H4X (6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene +COc1ccc(cc1)c2ccccc2N3CCCC3=O H4Y 1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O H4Z 5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol +c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl H50 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid +Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C H52 (s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine +c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O H53 (1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol +Cc1cccc(c1)CC(=O)Nc2cccnc2 H54 2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N H55 3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide +c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O H56 (3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one +CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H57 (3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene +CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H58 (3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene +CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O H59 n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +COc1cc(cc(c1OC)OC)C(=O)O H5A 3,4,5-trimethoxybenzoic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)Br H5B 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid +CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O H5C 9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H5D 2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O H5E 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N H5F 6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one +c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl H5G n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O H5H (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc2c(cc1N(=O)=O)cno2 H5J 5-nitro-1,2-benzoxazole +c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O H5K 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O H5L s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate +C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O H5M trans-3-hydroxy-5-methylproline +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O H5N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F H5O (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O H5P hydantocidin-5'-phosphate +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O H5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H5R 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C H5S (5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O H5T (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O H5U n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide +C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O H5V 7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F H5W 6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O H5Y 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O H5Z (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H60 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O H61 2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid +C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N H62 (1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H63 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4 H64 8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine +Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C H65 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine +CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1 H66 2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide +C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5 H67 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC H68 tetrahydrocolumbamine +c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl H69 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5 H6A 2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid +CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O H6B (1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N H6D 4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile +C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3 H6E 2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2 H6F ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide +C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6G n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine +CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N H6H ~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide +C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6J n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N H6K 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] H6L ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide +c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O H6M n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1cc(c(cc1C=O)O)O H6N protocatechuic aldehyde +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O H6O (2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO H6P (2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O H6Q 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose +C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H6R (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide +CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6S 2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6T 2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O H6U 2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide +c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H6V 2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4 H6W ~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC H6X 5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N H6Y 8-oxo-adenosine-5'-triphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O H6Z 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl H70 2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 H71 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N H72 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C H73 5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine +C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H74 2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(ccc1N2C=C3CCCCN3C2=O)Br H75 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one +C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O H76 (2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol +CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H77 2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O H78 [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O H79 [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron +Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O H7A 4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC H7B 2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4 H7C 2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine +C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2 H7D (1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC H7E [1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4 H7F [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol +c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O H7G (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid +C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2 H7J n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide +COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O H7K methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4 H7L [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol +Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl H7M 3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide +CCCCCC[P@@](=O)(O)OCCCC H7N butoxy(hexyl)phosphinic acid +COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5 H7O 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl H7P (2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide +c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N H7Q 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine +COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 H7R 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline +c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O H7S (3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C H7T 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone +CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H7U 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine +CN[C@@H](CC1CCCCC1)C(=O)O H7V 3-cyclohexyl-n-methyl-l-alanine +C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7W (1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4 H7X 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid +C/C=C/c1ccc(c(c1)OC)O H7Y isoeugenol +C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7Z (1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4 H80 [2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F H82 3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN H83 ~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N H84 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F H86 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium +Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C H88 ~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide +c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H89 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N H8A 3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile +CNCc1ccccc1OCc2ccc3ccc(nc3c2)N H8B 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5 H8C 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8D (8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide +CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3 H8E benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate +CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C H8F 2-(aminomethyl)-3,5-ditert-butyl-phenol +CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8G n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea +CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl H8H n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C H8J (8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide +c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5 H8K trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol +Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC H8L o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate +Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC H8M (1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +c1cc(ccc1C#N)O H8N 4-hydroxybenzonitrile +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O H8O (s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol +CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C H8Q ~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide +CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O H8R (2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3 H8S n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C H8T (10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone +C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O H8U paraherquamide a +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4 H8V (2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide +CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O H8W 3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid +CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O H8X n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N H8Z 1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one +c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H90 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl H91 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one +c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N H92 4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N H93 2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one +c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F H94 6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile +C[C@H](CC[C@H](C)O)O H95 (2~{s},5~{r})-hexane-2,5-diol +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4 H96 [2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O H97 (1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O H98 ~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4 H99 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +CCP(=O)(O)OC(C)C H9A propan-2-yl hydrogen (r)-ethylphosphonate +CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N H9B (2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide +c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8 H9C bis(1,10-phenanthroline)platinum(ii) +[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O H9E [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO H9F 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5 H9G (3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N H9H 1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide +CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O H9I 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O H9J 2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O H9K 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3 H9M (2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide +B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O H9O 2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4 H9P n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O H9R 2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4 H9S (2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O H9T (1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C H9U (2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid +c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF H9V (2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F H9Y 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C H9Z 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide +CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O HA0 heteroarylalanine 5-phenyl oxazole +c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N HA1 9-(5,5-difluoro-5-phosphonopentyl)guanine +c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N HA2 6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid) +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO HA3 n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide +C1c2c(onc2O)CN[C@H]1C(=O)O HA5 (5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid +c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3 HA6 2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one +C1CN[C@@H](c2c1c(no2)O)C(=O)O HA7 (7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid +C=CC\C=N\c1c2c(nc[nH]2)ncn1 HA8 n6-(buta-2,3-dienyl)adenine +c1cc(c(cc1CC(=O)O)O)O HAA 2-(3,4-dihydroxyphenyl)acetic acid +c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O HAB 2-((4'-hydroxyphenyl)-azo)benzoic acid +C1CCC(CC1)C[C@@H](C(=O)O)N HAC beta-cyclohexyl-alanine +C(C(=O)O)N(C(=O)O)O HAD (carboxyhydroxyamino)ethanoic acid +CC(=O)NO HAE acetohydroxamic acid +CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4 HAF tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N HAG 4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol +c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O HAH (1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +C1CCC(CC1)[NH3+] HAI cyclohexylammonium ion +c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N HAJ 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6 HAK 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide +c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O HAL n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine +c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+] HAM histidyl-adenosine monophosphate +Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O HAN 2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid +COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O HAO {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC HAP (n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine +c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O HAQ 5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid +C(C[C@@H](C(=O)O)N)CNC(=N)NO HAR n-omega-hydroxy-l-arginine +Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C HAS heme-as +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C HAT 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C HAU 1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide +CC(C)[C@H](C(=O)NO)N HAV hydroxyaminovaline +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6 HAW 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O HAX n-hydroxyamidocarboxymethyldethia coenzyme *a +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HAY (2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-] HAZ 4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid +C1CC(CCC1CO)O HB0 trans-4-(hydroxymethyl)cyclohexanol +c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O HB1 ruthenium-pyridocarbazole-1 +CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N HB2 1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol +c1nc([nH]n1)SCCN HB3 2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine +c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N HB4 n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N HB5 (2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide +CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3 HB7 n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide +[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O HB8 [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO HB9 ~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide +c1cc(ccc1C=O)O HBA p-hydroxybenzaldehyde +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3 HBB n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide +c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N HBC (2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone +c1cc(ccc1C(=O)N)O HBD 4-hydroxybenzamide +C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O HBE (2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2 HBF ferrocene homobiotin derivative +Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C HBG n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3 HBH 2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBI 7,8-dihydrobiopterin +Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C HBJ 4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide +COc1ccc2c(c1)O[C@@H](C(=O)N2O)O HBK (2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBL 7,8-dihydro-l-biopterin +CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O HBM 2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide +c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N HBN n-(2-naphthyl)histidinamide +COc1ccc2c(c1)O[C@H](C(=O)N2O)O HBO 2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one +c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O HBP 1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime +CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F HBQ isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate +C[C@H](C(=O)C)O HBR r,3-hydroxybutan-2-one +C[C@@H](C(=O)C)O HBS s,3-hydroxybutan-2-one +C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1 HBT (6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[P@](=O)(CC(=O)CC(=O)O)O HBU 4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid +CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3 HBV 3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide +CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl HBW (2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide +c1ccc(cc1)C=O HBX benzaldehyde +CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC HBY (s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O HBZ n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O HC0 2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2] HC1 2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster +CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HC2 20-hydroxycholesterol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C HC3 25-hydroxycholesterol +c1cc(ccc1\C=C\C(=O)O)O HC4 4'-hydroxycinnamic acid +CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C HC5 (r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C HC6 (2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C HC7 (2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium +CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC HC8 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O HC9 (3alpha,8alpha,22r)-cholest-5-ene-3,22-diol +C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O HCA 3-hydroxy-3-carboxy-adipic acid +CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO HCB 5-hydroxybenzimidazolylcobamide +c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O HCC 2',4,4'-trihydroxychalcone +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HCD (3alpha,8alpha)-cholest-5-ene-3,20-diol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N HCE {(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O HCG delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine +[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O HCH (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide +c1ccc(cc1)CCC(=O)O HCI hydrocinnamic acid +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3 HCJ (2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one +COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O HCK 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid +c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O HCL (2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid +CSSCC[C@@H](C(=O)O)N HCM (2s)-2-amino-4-(methyldisulfanyl)butanoic acid +C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N HCN 2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O HCO 2-acetyl-protoporphyrin ix +Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O HCP 1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid +[B-](c1cc2cc(ccc2s1)CN)(O)(O)O HCQ [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C HCR 7-hydroxycholesterol +C(CS)[C@@H](C(=O)O)N HCS 2-amino-4-mercapto-butyric acid +C(CC(=O)O)[C@H](CC(=O)O)C(=O)O HCT (2r)-butane-1,2,4-tricarboxylic acid +c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N HCU [(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N HCV n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine +C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C HCW 1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea +C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O HCX (south) bicyclo[3.1.0]hexane +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 HCZ 6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HD1 6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide +c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O HD2 4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD3 2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O HD4 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol +B(c1cc2cc(ccc2s1)CN)(O)O HD5 [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid +CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HD6 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD9 (2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C(C(=O)O)N(C=O)O HDA hadacidin +[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO HDB (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine +CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O HDC 3r-hydroxydecanoyl-coenzyme a +Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O HDD cis-heme d hydroxychlorin gamma-spirolactone +CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C HDE cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O HDF 8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine +COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N HDG (2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) +c1cc(ccc1C(=O)NN)O HDH 4-oxidanylbenzohydrazide +COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O HDI 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester +Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F HDJ (2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O HDL d-arabinohydroxamic acid +Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC HDM dimethyl propionate ester heme +CN=N HDN methylhydrazine +CCCCCCCCC(=O)CCCO HDO 1-hydroxydodecan-4-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O HDP [(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O HDQ 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +CCCCCCCCCCCCCCCC[S@](=O)O HDR hexadecane-1-sulfinic acid +CCCCCCCCCCCCCCCCS(=O)(=O)O HDS 1-hexadecanosulfonic acid +c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N HDT 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide +Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C HDU n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide +Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N HDV 9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine +C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O HDW (2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid +C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O HDX ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid +Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O HDY 1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +N#N HDZ nitrogen molecule +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C HE0 (2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O HE1 4-(2-hydroxyphenylthio)-1-butenylphosphonic acid +CCCCCCO HE2 hexan-1-ol +Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O HE3 2-hydroxyethyl dihydrothiachrome diphosphate +CCCCCCCO HE4 heptan-1-ol +Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C HE5 zinc(ii)-deuteroporphyrin dimethylester +Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C HE6 6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O HE7 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid +[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O HE8 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +COC(=O)c1ccc(c(c1)O)O HE9 methyl 3,4-bis(oxidanyl)benzoate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C HEA heme-a +CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C HEB heme b/c +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HEC heme c +C(CSSCCO)O HED 2-hydroxyethyl disulfide +CCCCCC[P@](=O)(O)OCC HEE n-hexylphosphonate ethyl ester +CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2 HEF 1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C HEG protoporphyrin ix containing mg +Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O HEH hedamycin +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O HEI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N HEJ 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine +CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O HEK 3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C HEL (2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O HEM protoporphyrin ix containing fe +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O HEN 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O HEO heme o +CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1 HEP phenyl[1-(n-succinylamino)pentyl]phosphonate +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C HEQ 3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone +COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O HER 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HES zinc substituted heme c +CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O HET 3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O HEU 3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate +CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O HEV 5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex +c1cnc(cc1Br)N HEW 4-bromanylpyridin-2-amine +CCCCCC HEX hexane +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O HEY (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid +C(CCCO)CCO HEZ hexane-1,6-diol +COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O HF0 (2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one +c1cc(c(cc1F)SCCC=CP(=O)(O)O)O HF1 4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid +c1ccc(cc1)C[C@H](C(=O)O)O HF2 (2r)-2-hydroxy-3-phenylpropanoic acid +O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O HF3 smallest hf-oxo-phosphate cluster hf3 +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O HF4 4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O HF5 hf oxo cluster hf5 +COC(=O)/C=C/c1ccc(cc1)O HF6 methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate +Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N HF7 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O HF8 [(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +COC(=O)c1ccc(cc1O)O HF9 methyl 2,4-bis(oxidanyl)benzoate +c1ccc(cc1)C[C@@H](C(=O)O)O HFA alpha-hydroxy-beta-phenyl-propionic acid +c1(c(c(c(c(c1F)F)F)F)F)F HFB hexafluorobenzene +c1c2c(cc(c1O)O)OC(=O)C=C2 HFC 6,7-bis(oxidanyl)chromen-2-one +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N HFD 2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine +c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O HFG 7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C HFH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O HFK 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one +COc1cc(cc(c1O)O)\C=C\C(O)O HFL 5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O HFM 2-formyl-protoporphryn ix +Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 HFN 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one +CC(=O)c1ccc(c(c1)O)O HFO 1-[3,4-bis(oxidanyl)phenyl]ethanone +CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O HFP alpha-hydroxyfarnesylphosphonic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O HFQ 2,4-dihydroxyphenacyl coenzyme a +c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HFR [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate +c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3 HFS 1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine +CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O HFT hydroxyflutamide +Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6 HFU 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O HFV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline + HFW dawson-type polyoxometalate +CS(=O)c1c2c(c(s1)Cl)CCCC2=O HFX 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one +c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl HFY 8-{[(2-chlorophenyl)methyl]amino}adenosine +c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F HFZ 6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +[Hg+2] HG mercury (ii) ion +CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N HG0 n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide +C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O HG1 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol +Br[Hg]Br HG2 dibromomercury +C([C@H](C(O)O)O)OP(=O)(O)O HG3 [(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N HG4 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide} +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG5 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one +c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O HG6 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid +CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N HG7 (2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG8 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one +CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O HG9 1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol +C(CC(=O)NO)[C@@H](C(=O)O)N HGA glutamine hydroxamate +c1cc(ccc1C(=O)O)[Hg]O HGB 4-(hydroxymercury)benzoic acid +C[Hg+] HGC methyl mercury ion +C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N HGD mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine) +CCOC(=O)C1CCN(CC1)c2cnccn2 HGE ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate +COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2 HGF 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O HGG (3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O HGH 2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid +I[Hg]I HGI mercury (ii) iodide +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N HGJ 2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide +c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2 HGK 2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid +c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N HGL (2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid +CN[C@H](c1ccc(cc1)O)C(=O)O HGM (2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid +[Hg][Hg] HGN mercuriomercury +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC HGP (1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline +C1=CNC(=O)C=C1Br HGQ 4-bromanyl-1~{h}-pyridin-2-one +C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O HGR hygromycin a +C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N HGS d-gamma-glutamyl-l-cysteinyl-beta-alanine +C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N HGT (2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol +C(=N)(N)NO HGU n-hydroxyguanidine +C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O HGV 2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine +c1c(cncn1)I HGW 5-iodanylpyrimidine +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C HGX 1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline +[C@H](C(=O)O)(N)O HGY (2s)-amino(hydroxy)ethanoic acid +CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC HGZ 6,7,8-trimethoxy-4-methylquinolin-2(1h)-one +C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O HH0 methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 HH1 (3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O HH2 6-hydroxymethylpterin-diphosphate +c1ccc(cc1)C(=O)N[C@H](C(=O)O)O HH3 (2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid +CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O HH4 4-(4-tert-butylphenyl)-4-oxobutanoic acid +c1[nH]c2c(n1)nc(nc2I)N HH5 6-iodanyl-7~{h}-purin-2-amine +c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O HH6 3-(4-hydroxyphenyl)-1h-indazol-6-ol +c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2 HH7 n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine +c1cc2c(ccnc2nc1)Br HH8 4-bromanyl-1,8-naphthyridine +c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O HH9 4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid +C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O HHA (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid +c1cc(cc(c1)Nc2ccncn2)CC(=O)O HHB 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid +c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O HHC ~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide +C(C[C@@H](CC(=O)O)O)CC(=O)O HHD (3s)-3-hydroxyheptanedioic acid +CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HHE (2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide +c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O HHF 3,7-dihydroxy-2-phenyl-4h-chromen-4-one +CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O HHG (2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate +c1cc(ccc1[C@@H](C(=O)O)O)O HHH (2s)-hydroxy(4-hydroxyphenyl)ethanoic acid +[H]/N=C(/Cc1cnc[nH]1)\C(=O)O HHI (2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O HHJ 5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine +C(CCCN)CC[C@@H](C(=O)O)N HHK (2s)-2,8-diaminooctanoic acid +Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F HHL n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide +c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3 HHM n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide +c1c(cncn1)Br HHN 5-bromanylpyrimidine +C(CCCCO)CCCNCO HHO 1-(hydroxymethyleneamino)-8-hydroxy-octane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO HHP 6-hydroxymethyl-7,8-dihydropterin +C1C(=CC=NC1=O)I HHQ 4-iodanyl-3~{h}-pyridin-2-one +c1c(nc2c(n1)N=C(NC2=O)N)CO HHR 6-hydroxymethylpterin +c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O HHS 6-carboxypterin +COc1cc(ccc1CC(=O)O)Br HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid +c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N HHV 5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O HHW (~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid +c1ccc(cc1)c2nnc(o2)CCC(=O)O HHY 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO HHZ [[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl HI0 (r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC HI1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F HI3 n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O HI4 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC HI5 2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate +c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N HI6 4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO HI9 (2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol +c1c([nH]cn1)C[C@@H](C(=O)N)N HIA l-histidine amide +Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O HIB 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N HIC 4-methyl-histidine +c1cc2c(cc1O)c(c[nH]2)CC(=O)O HID (5-hydroxy-1h-indol-3-yl)acetic acid +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C HIE 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide +CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C HIF fe(iii)-(4-mesoporphyrinone) +CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C HIG 2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine +C[C@@H](Cc1csc(n1)N)C=O HII 2-methyl-3-(2-aminothiazolo)propanal +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO HIK 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C HIN (2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone +CC(C)N(C(=O)C(=O)O)O HIO n-hydroxy-n-isopropyloxamic acid +c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N HIP nd1-phosphonohistidine +c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N HIQ 1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2 l-histidine c-terminal deprotonated fragment +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H l-histidine c-terminal protonated fragment +c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHD1 l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHE2 l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2 +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHD1 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHE2 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS_LFOH l-histidine free neutral +c1c(nc[nH]1)C[C@@H](C(=O)O)N HIS_LFOH_DHD1 l-histidine-free neutral/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N HIS_LFOH_DHE2 l-histidine-free neutral/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW l-histidine free zwitterion +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHD1 l-histidine-free zwitterion/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHE2 l-histidine-free zwitterion/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL l-histidine - linking embedded fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHD1 l-histidine-linking embedded fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHE2 l-histidine-linking embedded fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3 l-histidine n-terminal protonated fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHD1 l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHE2 l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2 +CC(C)C(C(=O)[C@H](C)C(=O)O)O HIT 2-(alpha-hydroxyisovaleryl) propionic acid +C[C@H](CO)C(=O)O HIU (2r)-3-hydroxy-2-methylpropanoic acid +[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O HIW (2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid +c1c([nH]nn1)C[C@@H](C(=O)O)N HIX 3-(1h-1,2,3-triazol-5-yl)-l-alanine +c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N HIZ 1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea +Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C HJ0 4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide +c1cc(c(cc1CCNC(=O)CCN)O)O HJ1 n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O HJ2 (2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C HJ3 (2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C HJ4 (8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name) +C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+] HJ5 [(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium +C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O HJ7 (2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid +CCn1c(c(nn1)O)C[C@@H](C(=O)O)N HJ8 (2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O HJ9 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid +C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S HJA (2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid +[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O HJB 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid +c1c([nH]cn1)CCNC(=O)CCN HJD n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide +CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C HJF 5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine +CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O HJG 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol +Cn1nc(c(n1)O)C[C@@H](C(=O)O)N HJH (2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O HJI (2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C HJJ 4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O HJK 2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N HJL [(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC HJM (5beta)-12-methoxyibogamine +Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O HJN [(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N HJO n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide +CC1=CC(=O)C(=C(O1)C(=O)O)O HJP 3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C HJQ (2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine +C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O HJR n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C(CS(=O)(=O)O)[C@@H](C(=O)O)N HJT (2~{s})-2-azanyl-4-sulfo-butanoic acid +CN[C@H](CCC(=O)N)C(=O)O HJV n~2~-methyl-d-glutamine +CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 HJW ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate +CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O HJX 2-hydroxy-6-(tetradecyloxy)benzoic acid +CN[C@H](Cc1ccc(cc1)I)C(=O)O HJY 4-iodo-n-methyl-d-phenylalanine +CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4 HJZ 3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid +COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O HK0 3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2 HK1 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol +c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O HK2 (1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate +COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O HK3 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol +COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC HK4 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol +COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N HK5 4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl HK6 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N HK7 2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide +c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl HK8 (3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid +COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O HK9 2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid +COc1cc(ccc1Oc2ccccc2)C(=O)O HKA 3-methoxy-4-phenoxybenzoic acid +CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O HKB ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide +COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2 HKC 6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole +CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O HKD 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid +C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2 HKE propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate +Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5 HKG 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4 HKH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide +CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 HKI n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5 HKJ n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine +CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 HKK ~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide +CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C HKL fe(iii) pyropheophorbide-a methyl ester +Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N HKM 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile +Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4 HKN ~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide +CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O HKO n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide +CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl HKP (7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one +c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3 HKQ ~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide +CCCn1ccnc1C(=O)O HKR 1-propylimidazole-2-carboxylic acid +c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N HKS 3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine +CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F HKT 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine +CC(C)n1ccnc1C(=O)O HKU 1-propan-2-ylimidazole-2-carboxylic acid +C(CC(=O)O)C(=O)C=O HKV 4,5-dioxopentanoic acid +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C HKW 6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3 HKX n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide +c1cc2c(cc1C(=O)O)CCNC2 HKY 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid +Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4 HKZ 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole +CCCCCCCCCC(=O)N[C@H]1CCOC1=O HL0 n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N HL1 (2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine +CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid +CC[C@@H](C)n1ccnc1C(=O)O HL3 1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid +CCCC(=O)N[C@H]1CCOC1=O HL4 n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C[C@H](C[C@@H](C(=O)O)N)CO HL5 (2s,4r)-5-hydroxyleucine +CCCCCC(=O)N[C@H]1CCOC1=O HL6 n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7 HL7 (1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate +Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F HL8 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid +c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 HL9 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O HLA 1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol +CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C HLB 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide +c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl HLC 4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C1=C(OC(=CC1=O)C(=O)O)C(=O)O HLD 4-oxo-4h-pyran-2,6-dicarboxylic acid +CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O HLE 3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide +C=CCCn1ccnc1C(=O)O HLF 1-but-3-enylimidazole-2-carboxylic acid +CC(=O)NCCCNCCCCN HLG n-{3-[(4-aminobutyl)amino]propyl}acetamide +CCCCCCCC1=CC(=O)c2ccccc2N1 HLH 2-heptyl-1~{h}-quinolin-4-one +CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1 HLI (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C HLJ n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide +c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F HLK ~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1cn(c(n1)C(=O)O)CCn2ccnn2 HLL 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid +C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3 HLM n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide +CCCCCCP(=O)(O)Oc1ccc2ccccc2c1 HLN hexyl(naphthalen-2-yloxy)phosphinic acid +c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O HLO 1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium +c1cc(oc1Cn2ccnc2)C(=O)O HLP 5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid +c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F HLQ ~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1ccc2c(c1)c(no2)N HLR 1,2-benzoxazol-3-amine +COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F HLS 3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide +[C@@H](C(F)(F)F)(Cl)Br HLT 2-bromo-2-chloro-1,1,1-trifluoroethane +CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU beta-hydroxyleucine +c1ccc2c(c1)c3cc(ccc3o2)OCCN HLV 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine +c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3 HLW 3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +CC(C)CC[C@@H](C(=O)O)N HLX 5-methyl-l-norleucine +C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O HLY (3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +c1ccc2c(c1)cnnc2NN HLZ 1-hydrazinophthalazine +c1cn(c(n1)C(=O)O)C2CCC2 HM0 1-cyclobutylimidazole-2-carboxylic acid +Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl HM2 5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine +c1cnc(cc1Cl)CO HM3 (4-chloropyridin-2-yl)methanol +CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2 HM4 tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate +CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2 HM5 3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide +c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO HM6 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O HM7 3-methylthioethane-pyrazinedione +C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O HM8 2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid +C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N HM9 6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid +C[C@@H](C(=O)NO)N HMA hydroxyaminoalanine +COC(CCC(=O)O)O HMB (4s)-4-hydroxy-4-methoxybutanoic acid +C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO HMC 5-hydroxymethyl-chonduritol +C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br HMD 4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HME porphycene containing fe +c1ccc(cc1)CC[C@H](C(=O)O)N HMF 2-amino-4-phenyl-butyric acid +C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HMG 3-hydroxy-3-methylglutaryl-coenzyme a +Cc1ncc(c(n1)N)CO HMH 4-amino-5-hydroxymethyl-2-methylpyrimidine +CC(C)C[C@H](C(=O)NO)C(=O)O HMI 2-hydroxycarbamoyl-4-methyl-pentanoic acid +CN(C)CCOc1ccc2c(c1)c3ccccc3o2 HMJ 2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine +c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O HMK (6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol +c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F HML 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid +CN1C(=O)N2CC=C[C@H](N2C1=O)CO HMM 5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O HMN 2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid +COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O HMO 4'-hydroxy-7-methoxyisoflavone +CC(C)C[C@H](C(=O)NO)C(=O)O HMP 1-hydroxyamine-2-isobutylmalonic acid +C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO HMQ 2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid +C(C[C@@H](CC(=O)O)N)CNC(=N)N HMR beta-homoarginine +C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O HMS 5-o-phosphono-l-ribulose +CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O HMT (3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine +C1=C(C(=O)NC(=O)N1)CO HMU 5-hydroxymethyl uracil +CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2 HMV 2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HMW 3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl HMX 3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide +C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O HMY (1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione +COc1ccc(c(c1)O)C(=O)CCC(=O)O HMZ 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid +CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 HN0 2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) +CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O HN1 (6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN2 1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN3 1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN4 1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN5 (1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN6 (1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN7 1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5 HN8 haemanthamine +c1cc(ccc1Cn2ccnc2C(=O)O)O HN9 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O HNA 1,8-di-hydroxy-4-nitro-anthraquinone +CCCCC[C@@H]1CC[C@H](O1)O HNB (2s,5r)-5-pentyltetrahydrofuran-2-ol +CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O HNC s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine +CCCCC[C@@H](CCCO)O HND (4s)-nonane-1,4-diol +CCCCC[C@H](C=CC=O)O HNE (2e,4r)-4-hydroxynon-2-enal +c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O HNF 7-nitro-9h-fluoren-2-ol +c1c(c2c([nH]1)NC(=NC2=O)N)CN HNG 2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CN1CCC=C1c2ccc(nc2)O HNH 5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O HNI protoporphyrin ix containing ni(ii) +c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 HNJ 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione +C[N@]1CCC[C@@H]1c2ccc(nc2)O HNK 5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol +C[N@@]1CCC[C@H]1c2ccc(nc2)O HNL 5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol +CNCCCC(=O)c1ccc(nc1)O HNM 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HNN porphycene containing mn +CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl HNO n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O HNP hydantocidin-5'-monophosphate +c1cc2c(ccc(c2nc1)O)[N+](=O)[O-] HNQ 5-nitroquinolin-8-ol +CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N HNR n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide +Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNS 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO HNT [(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol +COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNV 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside +c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNW 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside +c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HNX (2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNY 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HNZ 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +[Ho] HO holmium atom +c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HO0 (2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HO1 3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid +CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O HO2 (9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +[Ho+3] HO3 holmium (iii) atom +C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HO4 5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO5 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1ccc(cc1)Sc2c(nns2)C(=O)O HO6 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid +c1cc(ccc1[C@H]2CN3CCSC3=N2)Br HO7 (6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole +Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO8 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4 HO9 (2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +NO HOA hydroxyamine +CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C HOB (3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate +CCCCCC[C@@H](C(=O)O)O HOC (2s)-2-hydroxyoctanoic acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HOE 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC HOF methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate +c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O HOG 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +O HOH water +CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC HOJ (5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOK 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C HOL alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate +CC1=C(C(=O)Oc2c1ccc(c2)O)CCO HOM 7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin +C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N HOO (2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid +c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O HOP (1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C HOQ (1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N HOR 4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile +CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C HOS phomopsin a +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOT 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4 HOU 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 HOV ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +c1conc1N HOW 1,2-oxazol-3-amine +c1cc(ccc1C[C@@H](C(=O)O)N)N HOX 4-amino-l-phenylalanine +C(CC(=O)O)[C@@H](CN)N HOZ (4s)-4,5-diaminopentanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N HP0 (3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid +Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP1 ~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP2 hydroxypyrrole-imidazole-pyrrole polyamide +C[C@H](CO)O HP3 2,3-propandiol +[O-][PH2]=O HP4 phosphinate +Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C HP5 peroxidized heme form 2 +CCCCCCC HP6 heptane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O HP7 (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid +c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O HP8 5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine +c1[nH]c2c(n1)N=CNC2=O HPA hypoxanthine +C[C@H]([C@H](Cc1ccccc1)N)O HPB 2-hydroxy-3-amino-4-phenyl butane +CC(=O)[C@H](Cc1ccccc1)N HPC 3-amino-4-phenyl-butan-2-one +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O HPD 1-hydroxy-pentane-3,4-diol-5-phosphate +c1ccc(cc1)CC[C@@H](C(=O)O)N HPE homophenylalanine +c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O HPF 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate +C(CO)CO HPG hydroxypropyloxy group +c1ccc(cc1)C[C@@H](C(O)O)N HPH (2s)-2-amino-3-phenylpropane-1,1-diol +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N HPI n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine +COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4 HPJ 1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one +c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-] HPK (3e)-2,6-dioxo-6-phenylhex-3-enoate +CCCCCCCNC=O HPL heptylformamide +COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5 HPM n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide +CCCCCCC(=O)N HPN heptanamide +CCCCCC(=O)CP(=O)(O)O HPO 2-oxoheptylphosphonic acid +c1cc(ccc1CCC(=O)O)O HPP hydroxyphenyl propionic acid +CC(=O)[C@H](CCc1ccccc1)N HPQ homophenylalaninylmethane +c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HPR 6-hydroxy-7,8-dihydro purine nucleoside +c1ccc(cc1)OP(=O)(O)O HPS phenyl dihydrogen phosphate +CC1=C(NC(=O)NC1=O)CCCO HPT 6-hydroxypropylthymine +CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3 HPU n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide +C(C(=O)C(=O)O)OP(=O)(O)O HPV 2-oxo-3-(phosphonooxy)propanoic acid +CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3 HPW n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide +c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O HPX (2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +C1=CNC(=O)N[C@H]1O HPY 4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one +c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O HPZ (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQ 2-heptyl-1,4-dihydroxy-quinolinium +Cc1cnc(n1CCC=C)C(=O)O HQ0 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid +c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O HQ2 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid +Cc1cnc(n1Cc2ccccc2)C(=O)O HQ3 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N HQ5 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine +CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O HQ6 n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide +CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C HQ7 5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid +C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O HQ8 (1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol +C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid +c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N HQA 3-(8-hydroxyquinolin-3-yl)-l-alanine +CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] HQB ~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine +c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O HQC 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid +CC1=C(C(=O)c2ccccc2N1)O HQD 3-hydroxy-2-methylquinolin-4(1h)-one +c1cc(ccc1O)O HQE benzene-1,4-diol +c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N HQF 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N HQG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O HQH piericidin a +CC(=O)Nc1ccc(c2c1cccn2)O HQI n-(8-hydroxyquinolin-5-yl)acetamide +c1cc(cc(c1)Cl)c2c[nH]cn2 HQJ 4-(3-chlorophenyl)-1h-imidazole +CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl HQK pyridaben +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4 HQL 4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O HQM (1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +c1cc(c(cc1O)O)O HQN benzene-1,2,4-triol +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQO 2-heptyl-4-hydroxy quinoline n-oxide +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5 HQP 4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile +CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3 HQQ 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione +Cc1cn(c(n1)C(=O)O)CCC=C HQR 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid +c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F HQS n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide +c1ccc2c(c1)C=CN(C2=S)O HQT 2-hydroxyisoquinoline-1(2h)-thione +c1ccc2c(c1)cc(c(n2)C(=O)O)O HQU 3-hydroxyquinaldic acid +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HQV (2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2 HQW aureothin +c1cc2cccnc2c(c1)O HQY quinolin-8-ol +[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O HQZ trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-) +Cc1c(c2nc(c3cccnc3n2n1)O)C#N HR0 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile +CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O HR1 (3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid +CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O HR2 (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HR3 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F HR4 (2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +Cc1c(cnn1C)C(=O)NCC2CCC2 HR5 ~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide +c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N HR6 (2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +C(C[C@@H](CC(=O)O)N)CN=C(N)N HR7 (3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid +CC(C)CNC(=O)c1cc(ccc1OC)Cl HR8 5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide +c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O HR9 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid +c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO HRA 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C HRB n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine +Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O HRC n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide +CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC HRD 2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl HRE 4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile +c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HRF 5-(benzylamino)pyridine-2,4-dicarboxylic acid +C(CCNC(=N)N)C[C@@H](C(=O)O)N HRG l-homoarginine +Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl HRH (4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(C)CC(C(=O)O)Cl HRI alpha-chloroisocaproic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3 HRJ 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O HRK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol +COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O HRL 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC HRM 7-methoxy-1-methyl-9h-beta-carboline +C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8 HRN 3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Cl HRO 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N HRP 5-hydroxy-l-tryptophan +Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC HRQ 7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide +c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3 HRR 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O HRS 5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide +C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl HRT (4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7 HRU (ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium +C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl HRV n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide +Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C HRW 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide +c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O HRX [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) +CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl HRY 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one +C1=CC(=O)NC=C1 HRZ 1~{h}-pyridin-2-one +c1c(cc2c(c1N)cn[nH]2)Br HS0 6-bromanyl-1~{h}-indazol-4-amine +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O HS1 2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide +COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O HS3 (2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO HS4 n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide +c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O HS5 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide +c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O HS6 2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide +c1ccc(cc1)S(=O)(=O)NCC(=O)N=O HS7 n-oxo-2-(phenylsulfonylamino)ethanamide +c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N HS8 3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine +CN[C@@H](Cc1c[nH]cn1)C(=O)N HS9 n-alpha-methyl-l-histidinamide +c1c(nc[nH]1)CC(COP(=O)(O)O)N HSA phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester +CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HSC (s)-3-hydroxydecanoyl-coa +C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO HSD (1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +C(CO)[C@@H](C(=O)O)N HSE l-homoserine +CCCCCCCCCCCCCCCCS(=O)(=O)F HSF 1-hexadecylsulfonyl fluoride +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O HSG octyl alpha-l-altropyranoside +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O HSH octyl beta-d-galactopyranoside +CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl HSI (3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid +CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O HSJ octyl beta-l-talopyranoside +c1c(n(cn1)O)C[C@@H](C(=O)O)N HSK 3-hydroxy-l-histidine +C1COC(=O)[C@H]1N HSL homoserine lactone +c1c(nc[nH]1)CCN HSM histamine +c1c([nH+]c[nH]1)C[C@@H](CO)N HSO l-histidinol +c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O HSP 4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O HSQ 2-acetylamino-2-deoxy-alpha-l-idopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O HSR 2-(acetylamino)-2-deoxy-beta-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HSS 5'-o-[(l-histidylamino)sulfonyl]adenosine +CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O HST 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O HSU beta-d-ribofuranose +c1c([nH+]c[nH]1)C[C@@H](C=O)N HSV l-histidinal +NS(=O)(=O)NO HSW n-hydroxysulfamide +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O HSX 5-o-phosphono-alpha-d-ribofuranose +C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O HSY alpha-l-xylopyranose +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O HSZ beta-d-xylopyranose +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HT 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C HT1 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N HT2 5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole +CCCC[C@@H]([C@@H](CO)O)O HT3 (2r,3s)-heptane-1,2,3-triol +Cc1ccc(c(c1)S)O HT4 4-methyl-2-sulfanylphenol +CCCCCCCCCC(=O)N[C@H]1CCSC1=O HT5 (4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium +CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N HT6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N HT7 (3s)-3-amino-4-(1h-indol-3-yl)butanoic acid +c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HT8 (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC HTA n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide +c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5 HTB n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine +c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O HTC 3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C HTD 2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate +c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2 HTE (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCCCC(=O)N[C@H]1CCOC1=O HTF n-(2-oxotetrahydrofuran-3-yl)octanamide +CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O HTG heptyl 1-thio-beta-d-glucopyranoside +CCCC[C@H]([C@H](CO)O)O HTH (2s,3r)-heptane-1,2,3-triol +C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N HTI (4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine +c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O HTJ 6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O HTK (7s)-7-hydroxy-1-phenyloctane-1,3,5-trione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O HTL 2-acetyl-thiamine diphosphate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O HTM 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CNC(=O)[C@@H]([C@H](C(=O)O)N)O HTN (3r)-3-hydroxy-n-methyl-d-asparagine +CCCC[C@H]([C@@H](CO)O)O HTO heptane-1,2,3-triol +c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO HTP 4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O HTQ homotropine +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O HTR beta-hydroxytryptophane +c1ccc(c(c1)O)S HTS 2-mercaptophenol +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl HTT 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O HTV 1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HTW (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCC(=O)C HTX heptan-2-one +c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O HTY (betar)-beta-hydroxy-d-tyrosine +CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6 HTZ [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone +c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O HU0 4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C HU1 tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C HU2 (2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid +c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br HU3 (1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C HU4 tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C HU5 (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU6 (1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O HU7 1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl HU8 ~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide +c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU9 (1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 HUB huperzine b +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br HUC 6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C HUD tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7 HUE 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O HUF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5 HUG 1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid +c1cnn[nH]1 HUH 1~{h}-1,2,3-triazole +C[C@@H](CO)C(=O)O HUI (2s)-2-methyl-3-oxidanyl-propanoic acid +B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O HUJ [(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron +CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3 HUK butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium +COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O HUL 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HUM (2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUN butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4 HUO (phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate +C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 HUP huperzine a +CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUQ butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC HUR n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3 HUT (2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide +CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HUU 6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O HUV methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO HUW huprine w +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1 HUX 3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine +CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F HUY 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C HUZ (2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HV0 5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide +CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC HV1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +C1C(CS1(=O)=O)O HV2 1,1-bis(oxidanylidene)thietan-3-ol +C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2 HV4 (5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one +CC(C)(C)[C@@H](C(=O)O)N HV5 tert-butylalanine +COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O HV6 (z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one +COc1ccc(c(c1)O)CN HV7 1-methylamine-2-hydroxy-4-methoxy-benzene +COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O HV8 benzyl-2-amino-paramethoxy-benzylstatine +Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F HV9 4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide +CC(C)([C@@H](C(=O)O)N)O HVA 3-hydroxy-l-valine +CCC(=[NH2+])N HVB 1-azanylpropylideneazanium +CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVD (1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+] HVE [1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium +C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C HVF equisetin +c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O HVG 4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid +CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 HVH ~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide +Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVJ (1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1ccnc(c1)N HVK pyridin-2-amine +C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C HVL (3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol +c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 HVM (2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O HVN 3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O HVO 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone +c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid +c1cscc1C[NH3+] HVQ thiophen-3-ylmethylazanium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO HVR 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol +C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-] HVS (1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2 HVT (3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O HVU 3-(1-methylpiperidin-4-yl)-1h-indol-5-ol +C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O HVV (4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one +CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F HVW (2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide +CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O HVX (2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C HVY n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O HVZ ~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N HW0 6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW1 6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O HW2 isoquercetin +CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O HW3 (2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F HW4 6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F HW5 6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F HW6 6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F HW7 6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3 HW8 4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW9 4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1=CC(=O)C(=C(N1)C(=O)O)O HWA 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O HWB cyanidin +C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N HWD 2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 HWE (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C HWG n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide +CC(=O)NCCc1c[nH]c2c1cc(cc2)F HWH ~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide +CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C HWI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HWJ 3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O HWK 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid +CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O HWM 5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one +CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1 HWN 3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3 HWQ 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO HWS coprogen +CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N HWT 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HWU (2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C HWV n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N HWW 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C HWX 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC HWY (3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N HWZ 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile +CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC HX0 n,n,n-trioctyloctan-1-aminium +C[C@H](CC[C@@H](C)O)O HX2 (2r,5r)-hexane-2,5-diol +c1cc(c(cc1NN)Cl)Cl HX3 (3,4-dichlorophenyl)hydrazine +c1ccc(cc1)c2cc(n[nH]2)N HX4 5-phenyl-1h-pyrazol-3-amine +CSc1nc(cc(n1)Cl)Cl HX5 4,6-dichloro-2-(methylsulfanyl)pyrimidine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO HX6 n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HX7 n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)O HX8 4-phenoxyphenol +C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C HX9 (2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O HXA docosa-4,7,10,13,16,19-hexaenoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O HXB 4'-methylthymidine 5'-(tetrahydrogen triphosphate) +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HXC hexanoyl-coenzyme a +CCCCCCCCC[C@H](CC(=O)O)O HXD (3r)-3-hydroxydodecanoic acid +CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N HXE 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C HXF 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid +CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC HXG 1,2-dihexanoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O HXH (1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O HXJ 2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O HXK 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid +[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N HXL 2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide +CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HXM n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br HXN 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C HXO (2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O HXP 3,6-dihydroxy-xanthene-9-propionic acid +CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C HXQ 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide +c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N HXR n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide +CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O HXS 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol +c1ccc(cc1)C(=O)CO HXT 2-hydroxy-1-phenylethanone +CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3 HXV 6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N HXW 2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile +c1cc(c(c(c1Cl)C(=O)O)O)Cl HXX 3,6-dichloro-2-hydroxybenzoic acid +c1cc(ccc1CN2CCCC2)Br HXY 1-(4-bromobenzyl)pyrrolidine +CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O HXZ 4'-ethylthymidine 5'-(tetrahydrogen triphosphate) +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N HY0 hygromycin b variant +c1ccc(cc1)CC=O HY1 phenylacetaldehyde +COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O HY2 2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +C1CN[C@@H]([C@H]1O)C(=O)O HY3 3-hydroxyproline +CCCCOC[C@H](COP(=O)(CCC)O)OCCCC HY4 (2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC HY5 fc-ncpc +c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N HY6 n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide +CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br HY7 8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N HY8 (2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C HY9 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid +C([C@H]([C@@H](/C(=N/O)/O)O)O)O HYA 2,3,4,n-tetrahydroxy-butyrimidic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C HYB [2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O HYC o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine +[OH-] HYD hydroxy group +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O HYE (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde +CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O HYF 4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N HYG hygromycin b +CCCC[C@H](C(=O)N)O HYH (2r)-2-hydroxyhexanamide +C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N HYI (2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYK 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N HYM (4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one +C1C(=O)NC(=O)N1 HYN imidazolidine-2,4-dione +CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 HYO [(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate +C1[C@H](CN[C@@H]1C(=O)O)O HYP 4-hydroxyproline +c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5 HYQ rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione +c1ccc(cc1)OCCNC=S HYR n-(2-phenoxyethyl)methanethioamide +CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O HYS n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F HYT 2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide +c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5 HYV [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYW 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HYY n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5 HYZ n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine +C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O HZ0 (10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate +CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C HZ1 (3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N HZ2 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid +COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC HZ3 dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate +CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HZ4 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cc1c(c(n(n1)C)C)NS(=O)(=O)C HZ5 ~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide +CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O HZ7 (1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] +CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C HZ8 ~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O HZB (1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol +C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C HZC [(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6 HZD 4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4 HZE 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O HZF (3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid +CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C HZG 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +c1ccc(cc1)CCSCC(=O)C(F)(F)F HZH 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one +C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N HZJ (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate +c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2 HZK (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC HZL [(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate +CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZM 2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +NN HZN hydrazine +C1[C@@H](CN[C@@H]1C(=O)O)O HZP (4s)-4-hydroxy-l-proline +c1cc2c(ccc(c2nc1)O)Cl HZQ 5-chloranylquinolin-8-ol +CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3 HZR 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one +c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3 HZT ~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O HZU (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid +CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZV 2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O HZW (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-] HZX 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N HZY 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(=CCC/C(=C\COP(=O)(O)O)/C)C HZZ [(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O I inosinic acid +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I01 (4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N I02 3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N I03 (2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I04 n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide +COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I05 (3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide +c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2 I06 2-phenethyl-2,3-dihydro-phthalazine-1,4-dione +COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I08 (3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl I09 (3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1 I0D 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O I0E (2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I0F 2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide +c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O I0G (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O I0M 2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O I0N methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C I0O 4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I0P d-myo inositol 1,4,5,6 tetrakisphosphate +C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-] I0Q (2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl I0T n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide +CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC I0V (6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I0W 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0X nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0Y nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide +CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O I10 1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone +c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3 I11 [[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C I12 n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl I13 1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea +Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C I14 n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide +Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1 I15 5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile +c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5 I16 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine +c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5 I17 2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine +CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl I18 (4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F I19 n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O I1C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)c1ccccc1 I1E 1-phenylpropan-1-one +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I1G 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate +COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4 I1H 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide +C(c1n[nH]nn1)C(=O)N[NH3+] I1L [2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium +C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O I1N (2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone +CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4 I1P 2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]- +c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O I1S [(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-] I1T (1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C I1W (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C I1Z (1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O I20 (2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid +C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N I21 2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile +C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O I22 d-altro-hept-2-ulose 7-phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C I23 n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide +CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4 I24 2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I25 (2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I26 (2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O I27 methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4 I28 ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate +CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl I29 [(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O I2A hydroxocobalamin +Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O I2C 5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +c1cc2c(cc1CCC(=O)O)OCO2 I2E 3-(1,3-benzodioxol-5-yl)propanoic acid +COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N I2H 5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine +II I2I molecular iodine +CCC(C)(C)[C@@H](C(=O)O)N I2M 3-methyl-l-alloisoleucine +Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5 I2O n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide +[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I2P d-myo-inositol-2,4,5-triphosphate +C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O I2V (1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid +C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2 I30 n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C I31 (4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole +CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O I32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile +c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4 I33 7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide +Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl I34 n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC I35 [(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate +c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N I37 4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide +C[C@H](C(=O)O)NC(=O)CCS I38 n-(3-mercaptopropanoyl)-d-alanine +Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N I39 [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone +c1ccc2c(c1)c(c[nH]2)C=O I3A 1h-indole-3-carbaldehyde +c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid +CCc1ccc(cc1)C(=O)CC I3E 1-(4-ethylphenyl)propan-1-one +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl I3K n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine +I[I-]I I3M tri-iodode anion +Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O I3N 1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3P d-myo-inositol-1,4,5-triphosphate +[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3S (1s,3s,4s)-1,3,4-triphospho-myo-inositol +CC1=C(C(=O)NC(=O)N1)N I3V 5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I I40 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O I41 2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid +O[V](=O)([O-])[O-] I42 hydroxy(dioxido)oxovanadium +CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO I43 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one +Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC I45 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F I46 2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl I47 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol +Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3 I48 n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide +c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3 I4A 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid +CC(C)Cc1ccccc1 I4B isobutylbenzene +[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O I4D d-myo-inositol-4-phosphate +CC(C)CNCC(=O)O I4G n-(2-methylpropyl)glycine +C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O I4I 3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O I4L (2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O I4P (1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate +CC1=NNC(=NC1=O)C I4S 3,6-dimethyl-2~{h}-1,2,4-triazin-5-one +CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O I4U 4-isopropyl, uridine-5'-monophosphate +[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl I50 n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide +CC1=C(NC(=O)NC1=O)C=C(CO)CO I51 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO I52 n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl I53 2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3 I57 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en onic acid +[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F I58 4r-fluoro-n6-ethanimidoyl-l-lysine +c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O I59 hydroxy(1-naphthyl)methylphosphonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O I5A 5'-deoxy-5'-iodocytidine +CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC I5B (5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O I5C 5-iodo-2'-deoxy-cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3 I5H (5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione +c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3 I5I 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole +Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F I5N 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine +C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O I5P inositol-(1,3,4,5,6)-pentakisphosphate +c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3 I5R (2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl I5S isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4 I5T 4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N I5U n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 I5W (~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +C1CC1C2=NC(=O)NC(=O)C2 I5Z 6-cyclopropyl-5~{h}-pyrimidine-2,4-dione +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O I63 {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4 I66 ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N I67 n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide +COc1cc2cc[nH]c2cc1c3ccncc3 I6A 5-methoxy-6-pyridin-4-yl-1~{h}-indole +Cc1c(nc2c(ccc(c2n1)O)OC)C I6G 8-methoxy-2,3-dimethylquinoxalin-5-ol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O I6J (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I6P inositol 1,2,3,4,5,6-hexakisphosphate +CCC1=NC(=O)NC(=O)C1 I6R 6-ethyl-5~{h}-pyrimidine-2,4-dione +CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O I6W ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate +CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC I6X 5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C I70 (1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O I73 (3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O I74 (3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(=O)c1ccc(c(c1)OC)O I75 1-(4-hydroxy-3-methoxyphenyl)ethanone +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N I76 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN I77 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide +Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O I79 {1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid +c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N I7A 4,5-dichlorobenzene-1,3-disulfonamide +c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N I7B 4-amino-6-chlorobenzene-1,3-disulfonamide +c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F I7C 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide +CC(C)(C)c1ccccc1 I7E tert-butylbenzene +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O I7K 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O I7N n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I7P (1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I I7T 7-iodotetracycline +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O I7V (3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COc1cccc(c1)CN2CCC(CC2)C(=O)N I81 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide +CNc1c2c(c([nH]n2)c3ccccc3)ncn1 I82 ~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +CN[Pt](N(C)C)(Cl)Cl I83 bis(chloranyl)-(dimethylamino)-(methylamino)platinum +Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C I84 [2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine +c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O I85 n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide +C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C I87 (2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CC1(CN(C1(C)C)C(=O)NCC2CC2)C I8A n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide +c1cc(ccc1C(=O)N2CCSCC2)Cl I8D (4-chlorophenyl)(thiomorpholin-4-yl)methanone +c1cc(ccc1OCC(=O)N2CCCC2)F I8G 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one +CC1(CC1)S(=O)(=O)N2CCC=C(C2)F I8J 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine +c1ccc(c(c1)CN2CCOCC2)O I8M 2-[(morpholin-4-yl)methyl]phenol +Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC I8N 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O I8P (1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O I8Q 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC I8R 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O I8U 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O I8Y 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O I91 n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br I92 4-(2-bromophenyl)-2,4-dioxobutanoic acid +Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F I93 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid +CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3 I96 n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine +c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl I98 {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O I99 (3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O I9C methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate +COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O I9F dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate +C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1 I9G 8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline +CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO I9H n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O I9K (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4 I9N 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O I9Q n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I IA 2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl IA2 2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O IA3 methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3 IA4 ~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O IA5 methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3 IA7 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile +Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F IA9 2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O IAA ({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO IAB iso-acarbose +c1ccc2c(c1)c(c[nH]2)CC(=O)O IAC 1h-indol-3-ylacetic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O IAD n-[1h-indol-3-yl-acetyl]aspartic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O IAG n-[1h-indol-3-yl-acetyl]glycine acid +CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N IAM 4-[(isopropylamino)methyl]phenylalanine +CO[C@@H](c1ccccc1)[P@@](=O)(O)OC IAN methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate +B(c1cccc(c1)NC(=O)CI)(O)O IAP 4-iodo-acetamido phenylboronic acid +Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C IAQ (2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide +[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O IAR (2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid +C([C@@H](C(=O)O)N)C(=O)O IAS beta-l-aspartic acid +CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2 IAV n-[1h-indol-3-yl-acetyl]valine acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC IB 2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F IB1 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N IB2 p1-p2-methylene-p3-thio-diadenosine triphosphate +Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O IB3 [(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid +CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 IB5 ~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide +CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O IB8 (7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid +CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O IBA 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O IBB 5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole +C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N IBC 3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC IBD 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +c1(c(c(c(c(c1F)F)I)F)F)F IBF 1,2,3,4,5-pentafluoro-6-iodobenzene +c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I IBG gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine +Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O IBH (nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C IBI n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide +CC(C)CNC(=O)COCc1cc(on1)c2cccs2 IBK n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide +CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C IBM 3-isobutyl-1-methylxanthine +CC(C)CN IBN 2-methylpropan-1-amine +CC(C)C(=O)N IBO 2-methylpropanamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O IBP ibuprofen +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O IBQ iodo-bedaquiline +c1cc(c(cc1N)C=O)CC(=O)OCCBr IBR (2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate +C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IBS l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate +CC(C)COC(=O)O IBU 2-methylpropyl hydrogen carbonate +c1ccc(c(c1)CS)I IBZ 2-iodobenzylthio group +C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IC isocytidine-5'-monophosphate +COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC IC1 3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one +c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N IC3 [2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2 IC6 (2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N IC8 2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccc(cc1)CS(=O)(=O)CNC IC9 n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine +C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O ICA isocitrate calcium complex +c1ccc2c(c1)cc([nH]2)C(=O)O ICB 1h-indole-2-carboxylic acid +C1CCC(=O)NCC1 ICC azepan-2-one +Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O ICD 4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81 ICE iron-sulfur-molybdenum cluster with interstitial carbon +[C@H](C(F)(F)F)(OC(F)F)Cl ICF 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether +C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12 ICG iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9 ICH iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICI isocitric acid +CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C ICJ (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol +CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C ICL [1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester +CC(C)[C@@](C)(C#N)O ICN (s)-2-hydroxy-2,3-dimethylbutanenitrile +c1ccc2c(c1)c(c[nH]2)C(=O)O ICO 1h-indole-3-carboxylic acid +CC1=NC(=N)C(=C)C=N1 ICP 2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine +[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O ICR (4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid +C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 ICS iron-sulfur-molybdenum cluster with interstitial carbon +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICT isocitric acid +CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC ICU methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate +COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I ICX methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate +c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I ICY s-(2-iodobenzyl)-l-cysteine +C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21 ICZ iron-sulfur-molybdenum cluster with interstitial carbon +CNC(=O)c1c2c([nH]n1)CCCC2 ID0 n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O ID1 imipenem +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O ID2 5-iododeoxyuridine +CC1=C(C(CCC1)(C)C)/C=C/C(=O)C ID3 (3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3 ID4 4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide +c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F ID5 [5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid +CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C ID6 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one +Cc1cccc(c1C)Nc2ccccc2C(=O)O ID8 2-[(2,3-dimethylphenyl)amino]benzoic acid +CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N IDA (2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid +c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I IDB 3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid +c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O IDC (5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside +c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDD (5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDE (5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol +[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O IDF 5-fluoro-alpha-l-idopyranosyluronic acid fluoride +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N IDG 2,6-diamino-2,6-dideoxy-beta-l-idopyranose +C1[C@@H](C(=O)NC(=O)N1)I IDH (5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione +c1cc2c(cc1I)CNCC2 IDI 7-iodo-1,2,3,4-tetrahydro-isoquinoline +C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O IDJ (2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid +c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 IDK n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide +c1ccn2c(c1)ncc2CC(=O)O IDL imidazo[1,2-a]pyridin-3-ylacetic acid +c1ccc2c(c1)CCN2 IDM indoline +Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4 IDN (e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide +[I-] IDO iodo group +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O IDP inosine-5'-diphosphate +CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N IDQ 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O IDR alpha-l-idopyranuronic acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDS 2-o-sulfo-alpha-l-idopyranuronic acid +[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O IDT 4,5-dehydro-l-iduronic acid +[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDU 2-o-sulfo-beta-l-altropyranuronic acid +CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4 IDV n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDX 2-o-sulfo-alpha-l-gulopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O IDY 1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3 IDZ 3-(1h-benzimidazol-2-yl)-1h-indazole +Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N IE2 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide +c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN IE4 n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide +Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN IE6 n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide +c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5 IE8 5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine +Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl IEE 6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine +CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F IEF propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate +Cc1ccccc1S(=O)(=O)N IEJ o-toluenesulfonamide +[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N IEL n~6~-[(1z)-ethanimidoyl]-l-lysine +CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C IEM 2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3 IEO 3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC IEP [(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C IES propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl IET 1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea +c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O IEY {5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O IF1 (1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid +CNc1c2c(nc(n1)NC)n(cn2)C IF3 ~{n}2,~{n}6,9-trimethylpurine-2,6-diamine +[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O IF6 (1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy- +C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO IF7 (3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one +COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F IFA methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O IFB n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine +Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F IFC n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O IFG (2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine +C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO IFL (3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CO IFM 5-hydroxymethyl-3,4-dihydroxypiperidine +C=C1C=NC(=NC1=N)C(F)(F)F IFP 2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine +CC(C)OP(=O)(c1ccccc1CS)OC(C)C IFS bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate +CNc1c2c(c([nH]n2)Br)ncn1 IFZ 3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N IG isoguanosine-5'-monophosphate +c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O IG2 (2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1[nH]c2c(n1)NC(=O)N=C2N IGA 6-amino-3,7-dihydro-2h-purin-2-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O IGC n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide +Cc1cc(c(s1)C)S(=O)(=O)NC IGF n,2,5-trimethyl-3-thiophenesulfonamide +c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N IGL alpha-amino-2-indanacetic acid +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O IGM 2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide +C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O IGN {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O IGP indole-3-glycerol phosphate +CC1=C(C(=O)N(C(=O)N1)C)N IGT 5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O IGU 2'-deoxyisoguanine-5'-monophosphate +COC1=CC(=O)NC(=O)N1 IGX 6-methoxy-1h-pyrimidine-2,4-dione +c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br IH1 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N IH2 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N IH3 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5 IH4 n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl) +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl IH5 {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid +CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C IH6 (3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +c1cc(cc(c1)O)CNCCS(=O)(=O)O IH9 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid +COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC IHA {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +c1cc(c(cc1C(=O)O)I)O IHB 3-iodo-4-hydroxybenzoic acid +c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl IHC {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +CCCCCCCCCCCCCCCCI IHD 1-iodohexadecane +CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N IHE 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile +CCC1=C(C(=O)NC(=O)N1)N IHF 5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione +CC(C)NC(=N)NO IHG n-isopropyl-n'-hydroxyguanidine +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5 IHH [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile +c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5 IHI 9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile +CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5 IHJ 9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile +CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F IHM n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O IHP inositol hexakisphosphate +CCCCCCCC1=C(C(=O)c2ccccc2N1O)I IHQ 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one +Cc1c2c(c(ncn2)NC3CC3)n[nH]1 IHR ~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O IHS d-myo-inositol-hexasulphate +COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O IHU n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea +CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F IHX 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol +Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F IHZ 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide +c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N II2 5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc(c1)n2cnc3c2ccc(c3)N II4 1-(3-methylphenyl)-1h-benzimidazol-5-amine +C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN II6 [(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl IIA 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl IIB 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide +c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N IIC 4-imidazolmethylene-5-imidazolone chromophore +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC IID n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl IIE 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O IIG n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I IIH 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol +CN(C)c1c2ccccc2nc(n1)N3CCCC3 III ~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine +CC[C@@H](C)[C@@H](C(=O)O)N IIL iso-isoleucine +CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N IIN 2-methyl-3-amino-3-phenylisoindol-1-one +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C IIP imidazole-pyrrole polyamide +Cc1cccc(c1)CNCCS(=O)(=O)O IJ1 2-[(3-methylbenzyl)amino]ethanesulfonic acid +c1cc(oc1)CNCCS(=O)(=O)O IJ2 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid +Cc1cc(ccc1F)CNCCS(=O)(=O)O IJ4 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid +C1CCC(CC1)CNCCS(=O)(=O)O IJ6 2-[(cyclohexylmethyl)amino]ethanesulfonic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O IJE {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid +C1(=C(NC(=O)NC1=O)C(=O)O)N IJZ 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N IK1 5-phenyl-2-ureidothiophene-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O IK2 4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate +c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N IK4 n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F IK8 1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide +c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2 IK9 2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol +C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O IKM (4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid +Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC IKR methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate +C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N IKT 3-(1-aminoethyl)nonanedioic acid +c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO IKX 4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F IKY n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide +CC[C@H](C)[C@@H](C(O)O)N IL0 (2s,3s)-2-amino-3-methylpentane-1,1-diol +CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O IL2 (5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid +CC#CCOc1ccc(cc1)CNS(=O)(=O)N IL3 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene +c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O IL5 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide +CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ILA n-[isoleucinyl]-n'-[adenosyl]-diaminosufone +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F ILB 2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O ILC 3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C ILD (4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CC[C@H](C)[C@@H](C(=O)O)N ILE isoleucine +CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 l-isoleucine c-terminal deprotonated fragment +CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H l-isoleucine c-terminal protonated fragment +CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH l-isoleucine free neutral +CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW l-isoleucine free zwitterion +CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL l-isoleucine - linking embedded fragment +CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 l-isoleucine n-terminal protonated fragment +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F ILF 3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid +C(C[C@@H](C(=O)O)[NH3+])C=O ILG glutamyl group +c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F ILH 2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid +C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3 ILI n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide +c1cc2c(cc1Cl)C(=CC(=O)N2)CN ILL 4-(aminomethyl)-6-chloroquinolin-2(1h)-one +CC[C@H](C)[C@@H](C(=O)OC)N ILM methyl l-isoleucinate +CC(=N)NCCC[C@@H](C(=O)O)N ILO n5-iminoethyl-l-ornithine +CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O ILP n-[o-phosphono-pyridoxyl]-isoleucine +[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N ILT monoimidazole lexitropsin +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO ILV (2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N ILX 4,5-dihydroxyisoleucine +CC(C)NCCCC[C@@H](C(=O)O)N ILY n~6~-propan-2-yl-l-lysine +CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O IM1 (2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O IM2 (5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid +[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O IM3 (2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid +c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl IM4 (2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine +c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO IM5 2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4 IM6 4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C IM7 (5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IM8 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO IM9 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol +C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5 IMA [4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium +c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O IMB [(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid +CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O IMC n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate +c1c[nH+]c[nH]1 IMD imidazole +c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2] IME tetra(imidazole)diaquacopper (ii) +C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2] IMF tetra(imidazole)diaquacopper (i) +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMG 1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol +c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMH 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2 IMI 2-iminobiotin +Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4 IMJ (2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide +Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O IMK 2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole +CC[C@H](C)[C@@H](C(=O)O)NC IML n-methyl-isoleucine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O IMM 1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O IMN indomethacin +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O IMO 6-o-phosphoryl inosine monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O IMP inosinic acid +c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O IMQ (2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol +C1[C@@H]([C@@H]([C@H](N1)CO)O)O IMR iminoribitol +CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IMS 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide +Cn1cc(nc1C(=O)O)N IMT 4-amino-(1-methylimidazole)-2-carboxylic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IMU phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester +c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 IMV 5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CC(=O)C(=CC1=O)C(C)C IMW 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione +c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IMX [(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC IMY 1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine +CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC IMZ cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone +[In+3] IN indium (iii) ion +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl IN0 n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid +CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O IN1 4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate +CN(C)C(=O)NN(CCCCN)C(=O)O IN2 n,n-dimethylcarbamoyl-alpha-azalysine +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3 IN3 1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide +[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N IN4 +/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O IN5 {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid +CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 IN6 n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O IN7 [4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid +c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3 IN8 [2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester +CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S IN9 2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 INA 1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C INB 1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide +CC(C)C[C@H](C(=O)OC)N(C(=O)C)O INC 2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester +c1ccc2c(c1)cc[nH]2 IND indole +c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br INE 3-bromo-7-nitroindazole +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO INF d-[(n-hydroxyamino)carbonyl]phenylalanine +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N ING d-[(amino)carbonyl]phenylalanine +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 INH n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] INI 5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O INJ 5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid +CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl INK (rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride +COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INL 6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N INM 4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C INN n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide +c1c[n+](c(cc1C(=O)O)O)[O-] INO 2-hydroxyisonicotinic acid n-oxide +CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3 INP 4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n +c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INQ 6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2 INR 2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid +C1(C(C(C(C(C1O)O)O)O)O)O INS 1,2,3,4,5,6-hexahydroxy-cyclohexane +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 INT [[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O INU n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide +c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F INV 4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N INW 4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O INX 2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl INY carpropamide +CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O INZ 2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid +c1ccc(cc1)COc2ccc(cc2)CC(=O)O IO2 2-(4-phenylmethoxyphenyl)ethanoic acid +CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O IO3 iophenoxic acid +CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N IO5 (2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide +c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N IOA 4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide +c1cc(cc(c1)I)CO IOB 3-iodo-benzyl alcohol +c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N IOC 4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide +[I-] IOD iodide ion +c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N IOE 4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N IOF 4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5 IOG n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide +CC(C)O IOH 2-propanol, isopropanol +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 IOK n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide +c1cc(ccc1O)I IOL 4-iodophenol +CN(CC(=O)O)C(N)N IOM (diaminomethyl-methyl-amino)-acetic acid +C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C ION aristolochene +c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F IOO n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate +c1ccc2c(c1)c(c[nH]2)CCC(=O)O IOP indolylpropionic acid +C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N IOR n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine +c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O IOS 3-sulfooxy-1h-indole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N IOT arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester +c1ccc(cc1)CS(=O)(=O)O IOX phenylmethanesulfonic acid +c1cc(ccc1C[C@H](C(=O)O)N)I IOY p-iodo-d-phenylalanine +CC(C)c1ccccc1O IP0 2-(1-methylethyl)phenol +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C IP1 isopenicillin n +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IP2 d-myo-inositol-4,5-bisphosphate +CC(C)CCO IP3 1-hydroxy-3-methylbutane +CC1(CCC(=O)N1C)C IP4 1-methyl-2-oxy-5,5-dimethyl pyrrolidine +C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O IP5 (1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N IP6 n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine +c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4 IP7 n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine +CC(=C)CCOP(=O)(O)O IP8 isopentenyl phosphate +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC IP9 (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate +CC(C)O IPA isopropyl alcohol +Cc1ccc(c(c1)O)C(C)C IPB 5-methyl-2-(1-methylethyl)phenol +Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C IPC 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid +[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O IPD d-myo-inositol-1-phosphate +CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O IPE 3-methylbut-3-enyl trihydrogen diphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C IPF n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide +CC(C)NCC(=O)O IPG n-isopropyl glycine +c1ccc(cc1)O IPH phenol +CC(C)CCP(=O)(O)O IPI 3-methylbutylphosphonic acid +c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O IPJ 4-hydroxy-chalcone +c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4 IPK 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O IPL indole-3-propanol phosphate +CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O IPM 3-isopropylmalic acid +C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I IPN 2-aminoethylglycine-carbonylmethylene-5-iodouracil +c1cc(ccc1C[C@H](C(=O)NO)N)I IPO para-iodo-d-phenylalanine hydroxamic acid +c1cc(ccc1CC(=O)NC[P@H](=O)O)I IPP (p-iodophenylacetylamino)methylphosphinic acid +CC(C)CCO[P@@](=O)(O)OP(=O)(O)O IPR isopentyl pyrophosphate +OP(=O)([O-])[O-] IPS inorganic phosphate group +CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IPT 1-methylethyl 1-thio-beta-d-galactopyranoside +CC(C)SC(=N)N IPU s-isopropyl-isothiourea +Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO IPV [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol +c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl IPW (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone +c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IPX 4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C IPY imidazole-pyrrole polyamide +CC(C)c1c(nccn1)OC IPZ 2-isopropyl-3-methoxypyrazine +C1CCC(C1)C(=O)O IQ0 cyclopentanecarboxylic acid +CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4 IQ1 3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline +Cc1cc2c(cc1NC(=O)C)nc(s2)N IQ5 n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide +c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4 IQ6 6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine +COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl IQ7 2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide +c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O IQA (5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid +c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br IQB n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide +c1cc2c(c(c1)O)CC=NC2=O IQD 5-hydroxyisoquinolin-1(4h)-one +Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4 IQG n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate) +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC IQK n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) +[H]/N=C(/c1ncccn1)\NC IQL n-methylpyrimidine-2-carboximidamide +c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O IQO 1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one +C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3 IQP 1-(5-isoquinolinesulfonyl)-2-methylpiperazine +c1cc(cc(c1)C(=O)O)c2cccc(c2)O IQQ 3-(3-hydroxyphenyl)benzoic acid +CNCCNS(=O)(=O)c1cccc2c1ccnc2 IQS n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)NCCN IQU n-(2-aminoethyl)isoquinoline-5-sulfonamide +Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N IQW 5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C IQX n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide +c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O IQZ (12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one +[Ir+4] IR iridium ion +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O IR1 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one +c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6 IR2 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one +[Ir+3] IR3 iridium (iii) ion +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4 IR4 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO IR5 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C IR6 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR8 [(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR9 [(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +COc1ccc(cc1CC(=O)O)Br IRA (5-bromo-2-methoxyphenyl)acetic acid +c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O IRB (2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid +CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O IRC s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate +COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2 IRE gefitinib +Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O IRF 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol +c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N IRG n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine +COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O IRH isorhamnetin +[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3] IRI iridium hexammine ion +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O IRK (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C IRL (2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name) +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IRN 1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole +C1(=C(NC(=O)NC1=O)C(=O)O)I IRO 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IRP (1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O IRR n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide +CC(=C)CN IRS 2-methylprop-2-en-1-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC IRW (1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O IS1 3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium +CCc1ccc(cc1)NC(=O)P(=O)(O)O IS2 [(4-ethylphenyl)amino]carbonylphosphonic acid +CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S IS3 isopentenyl diphosphate beta-s +Cc1ccc2c(c1)CC(=O)N2C IS7 1,5-dimethyl-3~{h}-indol-2-one +C(=N)=S IS8 isothiocyanate +c1cc(ccc1C[C@@H](C(=O)O)S)I ISA 3-(4-iodo-phenyl)-2-mercapto-propionic acid +CC(C)C(=O)O ISB isobutyric acid +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O ISC (5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ISD isoascorbic acid +[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O ISE (2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone +C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O ISF p-(2'-iodo-5'-thenoyl)hydrotropic acid +CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N ISH (7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N ISI (7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O ISJ (3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O ISL 6-o-alpha-d-glucopyranosyl-d-fructose +COC(=O)Cc1ccc(cc1C(=O)O)N ISM 5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid +c1ccc2c(c1)C(=O)C(=O)N2 ISN isatin +CC(C)c1ccc(cc1)N ISO para-isopropylaniline +CC(C)OP(=O)(O)O ISP phosphorylisopropane +c1ccc2cnccc2c1 ISQ isoquinoline +C(CO)C(=O)CN\C=C\C=O ISS (2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal +CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N IST isostatine +[H]/N=C(/N)\[Se]CC ISU se-ethyl-isoselenourea +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C ISW {3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron +C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO ISX (3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside +CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O ISY 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid +[H]/N=N/C(=O)c1ccncc1 ISZ 4-(diazenylcarbonyl)pyridine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O IT1 (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C1COCCN1C(=S)S IT2 morpholine-4-carbodithioic acid +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IT3 (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N IT5 4-cyano-4-phenylpiperidine-1-carbodithioic acid +CC1=CC(=O)[C@H](CC1)C(=C)C IT9 (-)-isopiperitenone +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O ITA {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O ITB 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C ITC iso-7-chlortetracycline +CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C ITD (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate +CNc1[nH]c2cc3c(cc2n1)N=CNC3=O ITE 2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O ITG (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7 ITI n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C ITL (3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid +C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O ITM isocitric acid-magnesium complex +C=C(CC(=O)O)C(=O)O ITN 2-methylidenebutanedioic acid +C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O ITP phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester +C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC ITQ 1,2,3,4-tetrahydrogen staurosporine +c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O ITR imino-tryptophan +[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O ITS inositol 1,3,4,5-tetrakisphosphate +c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O ITT inosine 5'-triphosphate +CCSC(=N)N ITU ethylisothiourea +C=C(Cc1c[nH]c2c1cccc2)C(=O)O ITW 2-[(1h-indol-3-yl)methyl]prop-2-enoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC ITX (1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCC#CCC#CCC#CCC#CCCCC(=O)O ITY icosa-5,8,11,14-tetraynoic acid +CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N ITZ 2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I IU 5-iodouridine-5'-monophosphate +Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3 IU1 1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C IU5 iso-ursodeoxycholic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O IU6 6-ethyl-iso-ursodeoxycholic acid +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IUB (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O IUG 1-(2-nitrophenyl)ethyl udp-galactose +CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 IUL 4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile +[O-][U+4][O-] IUM uranyl (vi) ion +C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO IUP 5-(hydro)peroxoisourate +C1=C(C(=O)NC(=O)N1)I IUR 5-iodouracil +c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F IUU 4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine +CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C IUY ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate +Cc1c(ccc2c1nc(s2)N)Cl IV2 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine +Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C IV7 (10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +CC(C)CC(=O)O IVA isovaleric acid +CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O IVC isovaleryl-coenzyme a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI IVF n-(iodoacetyl)-l-valyl-l-phenylalaninamide +CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IVH 2-(butylsulfanyl)adenosine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl IVK (3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide +C[N+]1(CCCC1)CCCC(=O)O IVL 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium +CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C IVM (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside +CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVS 3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C IVU 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile +CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVV n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide +c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl IW1 2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol +c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl IW2 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N IW3 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol +c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br IW4 4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N IW5 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline +COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC IW6 2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline +CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N IW7 2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid +CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br IW8 1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I IWD 2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N IWH 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide +c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F IWP 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 IWR 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +c1ccc(cc1)c2nnc(o2)S IWT 5-phenyl-1,3,4-oxadiazole-2-thiol +B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O IWW [(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid +c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F IWX n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide +COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O IX1 5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid +Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O IX6 (11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O IXA n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O IXD 4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid +CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N IXE n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N IXF n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine +CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N IXG n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine +C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6 IXH 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 IXM (z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime +CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N IXN 2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine +C[N+](C)(C)CC#CCOC1=NOCC1 IXO 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6 IXP (5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate +CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F IXS n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4 IXV n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide +CCOC(=O)C[C@H]1CO1 IXW ethyl (2s)-oxiran-2-ylacetate +CN(C)CCCN1c2ccccc2CCc3c1cccc3 IXX 3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3 IXY n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 IXZ n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide +Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N IY1 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile +c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F IY5 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN IY7 (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O IYG n-alpha-acetyl-3,5-diiodotyrosylglycine +c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O IYP (2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)O IYR 3-iodo-tyrosine +C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O IYT n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine +COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N IYX 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4 IYZ 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone +c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ1 n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ2 n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F IZ3 3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide +c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ4 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ5 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N IZ9 (e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3 IZA 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one +CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5 IZB n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide +C1N=CC(=N1)CC(=O)O IZC 2h-imidazol-4-ylacetic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N IZD isothiazolidinone analog +c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O IZE n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide +COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O IZF methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate +CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O IZG 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione +CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4 IZN (4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one +C#CCC[C@@H](C(=O)O)N IZO (2s)-2-aminohex-5-ynoic acid +C[C@H](c1ccc(cc1)CC(C)C)C(=O)O IZP (2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid +c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N IZX 1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N IZZ (2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol +B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O J00 2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O J01 (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O J02 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O J03 (2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N J04 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O J05 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid +C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C J06 [(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl J07 4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N J08 4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N J0A (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I J0B 1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N J0C 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C J0D 1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N J0E 1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CCCc1c(c2cnc(nc2[nH]1)C)Br J0F 5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine +C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3 J0G 2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide +C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N J0J d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0K 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CC1(c2cccc(c2NC1=O)NC)C J0L 3,3-dimethyl-7-(methylamino)-1h-indol-2-one +C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O J0M d-galactonic acid +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0N 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4 J0P n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC J0S (3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J0T (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C J0U (2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one +Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C J0V 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid +CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O J0W (e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O J0X 2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F J0Y (2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide +CC(=O)OCc1ccccc1 J0Z benzyl acetate +CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C J10 methyl farnesoate +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F J11 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN J12 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-] J13 (1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F J14 n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN J15 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F J18 [(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol +COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2 J19 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one +c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O J1A 5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1B 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1C 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C J1D 5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine +c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J1E (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1F ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3 J1G n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide +C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O J1H [(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1I 5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine +c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O J1J n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +c1cc(ccc1C(=O)NCCO)C(=O)O J1K 4-(2-hydroxyethylcarbamoyl)benzoic acid +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1L 5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C J1M (2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3 J1N 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O J1O 4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid +CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C J1Q 1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide +CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1R (1r,19r) cobalt tetradehydrocorrin +CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1S (1s,19s) cobalt tetradehydrocorrin +COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2 J1T 4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3 J1V n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide +CCCCCCCCCCCCCC[C@H](C(=O)O)Br J1W 2-bromopalmitic acid +c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4 J1X 3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +c1csc2c1scc2 J1Z thieno[3,2-b]thiophene +COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC J20 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde +CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br J21 n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C J22 {(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol +CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4 J24 ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate +CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC J25 diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F J27 [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium +Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C J28 5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N J2A (2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N J2B o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate +c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl J2C 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3 J2D n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C J2E 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O J2G 4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid +Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6 J2H 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F J2I 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone +c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O J2J 5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F J2M n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N J2N (3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N J2O 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine +CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 J2P (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N J2Q ~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide +c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2 J2T n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine +c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O J2U (2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC J2V n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N J2W ~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide +c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O J2X (2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC J2Y n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O J2Z (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one +c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS J30 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol +c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J31 n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O J32 [(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate +c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl J33 6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one +c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J34 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid +CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O J35 (2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid +c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3 J36 parvine +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br J37 n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid +C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO J38 (2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C J3A 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine +[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N J3B (3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C J3C (7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol +C([C@@H](C(=O)O)NC(=O)O)S J3D n-carboxy-l-cysteine +Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O J3E 7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4 J3F (5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +CCCC(=O)OCC(COC(=O)CCC)O J3G 2-hydroxypropane-1,3-diyl dibutanoate +CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N J3H 1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N J3I (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide +CCCC(=O)OC(CO)CO J3J 1,3-dihydroxypropan-2-yl butanoate +C[C@H](CN)O J3K (2~{r})-1-azanylpropan-2-ol +CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O J3L (2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O J3M (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N J3N 1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O J3P (2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O J3Q (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-] J3R 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid +C(CCC(=O)N)C[C@@H](CCS)S J3S (6s)-6,8-disulfanyloctanamide +[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O J3T [4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate +C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O J3U (6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid +c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J3V 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O J3W methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br J3X 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5 J3Y [6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O J3Z (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC J40 [(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate +CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1 J41 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O J42 n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N J43 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J45 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide +c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br J46 4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br J47 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile +c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J48 cmbl3a +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N J49 (2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid +CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O J4A 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one +CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C J4B ~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide +Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4C (2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid +c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O J4D 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O J4E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl J4F 3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N J4G 3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate) +c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J4H cmbl4 +c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN J4J 2-[(2-nitrophenyl)sulfanyl]acetohydrazide +c1cc(ccc1OCc2[nH]nnn2)Cl J4K 5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4L 1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione +Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F J4M n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O J4N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C J4O 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3 J4P (2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CS(=O)(=O)c1nccn1Cc2cscn2 J4Q 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C J4R 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3 J4S (2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C J4T [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 J4U (2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5 J4V (1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide +B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O J4W tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate +[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N J4X 6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl J4Y (1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide +Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3 J4Z n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl J50 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(=O)NC(=O)OCc1ccccc1 J51 benzyl acetylcarbamate +C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+] J52 dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O J53 (2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid +c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O J54 (2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid +c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N J55 1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide +c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br J56 (2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide +CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O J57 (~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid +c1cc2c(cc1N)c([nH]n2)Br J58 3-bromanyl-2~{h}-indazol-5-amine +c1cc(c(c2c1nccn2)Br)NC3=NCCN3 J59 brimonidine +CC(=O)NCc1cc(cs1)Br J5A n-[(4-bromothiophen-2-yl)methyl]acetamide +C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O J5B (3r)-3-hydroxybutyl alpha-d-glucopyranoside +Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C J5C oxymetazoline +Cc1cc(ccc1F)CNC(=O)C J5D n-[(4-fluoro-3-methylphenyl)methyl]acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O J5E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4 J5F (1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide +Cc1cc(no1)NC(=O)C J5G n-(5-methyl-1,2-oxazol-3-yl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O J5H ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate +CC1=Cc2ccccc2NC1=O J5I 3-methyl-1,2-dihydroquinolin-2-one +Cc1cccc(c1)/C=N/C(=O)C J5J n-[(e)-(3-methylphenyl)methylidene]acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N J5K (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 J5L (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CC(=O)NCC#Cc1cccc(c1)C(F)(F)F J5M n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5N ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 J5P n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O J5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O J5R 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid +Cc1ccc(cc1)/C=N/C(=O)C J5S n-[(e)-(4-methylphenyl)methylidene]acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5T ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NCC#Cc1ccccc1 J5V n-(3-phenylprop-2-yn-1-yl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O J5W (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O J5X gibberellin a9 +Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl J5Y nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F J5Z 5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C J60 5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +CC(=O)NNC(=O)c1ccccc1Cl J61 n'-acetyl-2-chlorobenzohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O J62 (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3 J63 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione +CC(=O)NCc1ccc(s1)Cl J64 n-[(5-chlorothiophen-2-yl)methyl]acetamide +c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J67 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3 J6A (2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C J6B ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C J6C miltiradiene +CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C J6D 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F J6E ~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl J6H (3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid +CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC J6J 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide +Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C J6K (3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid +CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C J6L 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one +Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl J6N (3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C J6P (5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C J6Q (3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-] J6S (3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N J6T 2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid +Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J6V 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide +Cc1ccc2c(c1)cc(s2)CO J6W (5-methyl-1-benzothiophen-2-yl)methanol +CC[C@@H](C)S(=O)(=O)[O-] J6Z (2r)-butane-2-sulfonate +c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7 J70 pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone) +COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] J71 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F J72 (3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O J73 methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside +c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J74 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-] J75 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O J76 (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C J77 (methylpyridazine piperidine ethyloxyphenyl)ethylacetate +CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C J78 (methylpyridazine piperidine propyloxyphenyl)ethylacetate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C J79 (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid +c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O J7C 9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl J7G 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid +CCCCC[C@](C)(C(=O)O)N J7H (2~{r})-2-azanyl-2-methyl-heptanoic acid +c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO J7J n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea +O[Mo]1O[Mo](O1)(O)O J7N 2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane +O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O] J7Q tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum +COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl J7S 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O] J7T molybdate cluster +c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7U chromium-5,10,15,20-tetraphenylporphyrin +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O J7V 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp +c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7X mn-5,10,15,20-tetraphenylporphyrin +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC J7Z (2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate +CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C J80 (methylpyridazine piperidine butyloxyphenyl)ethylacetate +CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O J81 (5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 J82 2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J83 co-5,10,15,20-tetraphenylporphyrin +c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N J84 1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine +O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O] J85 [[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum +C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O J86 [(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid +COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4 J87 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide +c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J88 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime +CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N J89 (2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol +c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 J8A 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide +[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O] J8B molybdate cluster +CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C J8C 1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid +COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O J8D 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one +O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O] J8E oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8F 4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile +COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O J8G 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one +Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C J8H (3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid +CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8L 4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl J8N 4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide +CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8O 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N J8Q ~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide +CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8R 4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile +COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC J8S (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone +CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O J8T [(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8U 4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile +c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O J8V 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +C([C@@H](C(=O)O)N)OC(=O)CC(=O)O J8W (2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2 J8X (~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile +c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3 J8Y 2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide +Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J8Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate +c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N J90 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F J91 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N J92 methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate +CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N J93 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile +C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C J94 (5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium +CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N J95 ~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide +c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J96 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid +c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O J97 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F J99 (10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N J9A n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine +c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N J9D 4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F J9E 4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide +c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O J9F (4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O J9G 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N J9H pentacoordinate pt(ii) compound +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2 J9K tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate +Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC J9L (5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one +c1cc(sc1)C2=NN=C(C2)N J9N 5-thiophen-2-yl-4~{h}-pyrazol-3-amine +CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl J9O 2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one +CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O J9P (11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid +c1ccc(c(c1)c2cnco2)N J9Q 2-(1,3-oxazol-5-yl)aniline +Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N J9R 4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide +COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9S n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1ccnc(c1)N J9T methyl 2-azanylpyridine-4-carboxylate +C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C J9U (8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9V n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +c1ccc2c(c1)C(=O)NC(=O)O2 J9W 1,3-benzoxazine-2,4-dione +CCNC(=O)C(=O)O J9X 2-(ethylamino)-2-oxidanylidene-ethanoic acid +CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N J9Y (2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate +c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J9Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-] JA1 5-hexyl-2-(4-nitrophenoxy)phenol +c1ccc2c(c1)[nH]c(n2)CCCCCN JA2 5-(1h-benzimidazol-2-yl)pentan-1-amine +CCc1cc(c(cc1F)Oc2cccnc2F)O JA3 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4 JA4 n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1cc2cc(sc2[nH]1)CO JA5 methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O JA7 5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid +c1cc2c(cc1Br)nc(s2)N JA8 5-bromanyl-1,3-benzothiazol-2-amine +CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl JA9 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O JAA {(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid +c1cnoc1C(=S)N JAB 1,2-oxazole-5-carbothioamide +c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4 JAC 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone +Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O JAD 2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile +c1cc2c(cc1N)scn2 JAE 1,3-benzothiazol-6-amine +Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O JAF n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide +CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F JAG 2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one +c1ccc(cc1)c2ccc(cn2)CN JAH (6-phenylpyridin-3-yl)methanamine +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O JAI n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O JAJ 4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid +Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3 JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O JAL 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N JAN 6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one +CCCCCCCCCCCCCCC[C@H](C)CO JAO (2s)-2-methylheptadecan-1-ol +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4 JAR 6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC JAS jaspisamide a +c1cc(ccc1CCN)S(=O)(=O)O JAT 4-(2-azanylethyl)benzenesulfonic acid +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl JAU 5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3 JAV 4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide +c1cc2c(cc[nH]2)cc1C(=O)N JAW 1~{h}-indole-5-carboxamide +C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2 JAX (e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid +c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F JAY (2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O JAZ 6-phosphocyclophellitol +CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JB1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N JB2 gdp-perosamine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C JB3 gdp-n-acetylperosamine +c1cc2c(cc1N)nccn2 JB5 quinoxalin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N JB6 (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol +CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br JB7 n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +B(c1ccc2cc[nH]c2c1)(O)O JB8 1~{h}-indol-6-ylboronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O JB9 ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide +C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C JBA (2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide +c1cc(cc(c1)C(=O)O)CSc2cccs2 JBB 3-(thiophen-2-ylsulfanylmethyl)benzoic acid +c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O JBC 5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid +c1cc(c(nc1)N)[N+](=O)[O-] JBE 3-nitropyridin-2-amine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F JBF 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid +CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl JBG n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine +c1ccc2c(c1)C(NC=N2)O JBH 3,4-dihydroquinazolin-4-ol +COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5 JBI 9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine +c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6 JBJ (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1cc(c(c(c1)O)N)[N+](=O)[O-] JBK 2-azanyl-3-nitro-phenol +c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O JBL 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid +c1cnoc1C(=O)N JBN 1,2-oxazole-5-carboxamide +Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F JBO 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid +c1cc2c(c(c1)F)C(NC=N2)O JBQ 5-fluoranyl-3,4-dihydroquinazolin-4-ol +c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O JBR 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid +Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6 JBS 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O JBT gdp-n-acetylperosamine-coenzyme a +C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O JBU (4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid +Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N JBW 5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide +C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN JBY (2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid +COc1ccc2c(c1)sc(n2)C(=O)O JBZ 6-methoxy-1,3-benzothiazole-2-carboxylic acid +CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JC1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O JC2 (2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4 JC3 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one +c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O JC4 2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid +COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN JC5 [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O JC6 steviolbioside +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O JC7 n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide +c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JC8 6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide +CN[C@@]1(CCCCC1=O)c2ccccc2Cl JC9 (2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one +Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3 JCB n-(p-toluenesulfonyl)-indole +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O JCD 2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N JCE 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine +Cc1ccc2cc(cc(c2n1)O)C(=O)N JCF 8-hydroxy-2-methylquinoline-6-carboxamide +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C JCG (2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JCH 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5 JCK 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl JCL 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate +COc1cccc(c1)COC(=O)c2c[nH]nc2 JCQ (3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate +c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 JCT biotinylated ruthenium cyclopentadienide +c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JCW 2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide +C[C@H](c1ccccc1)[C@@H](C(=O)O)N JCX (2s,3r)-2-azanyl-3-phenyl-butanoic acid +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F JCY 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine +c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N JCZ 3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine +CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O JD1 [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD2 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N JD3 (2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid +c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 JD5 [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3 JD7 4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD8 5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O JDB 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O JDC (3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4 JDD n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide +COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3 JDE (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O JDF steviol-19-o-glucoside +CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5 JDG 2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine +CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JDH 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO JDJ 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5 JDK 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO JDM 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +B(c1ccc2c(c1)cc[nH]2)(O)O JDN 1~{h}-indol-5-ylboronic acid +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O JDO rebaudioside d +Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N JDP 1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JDQ 3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine +CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N JDR 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O JDS 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol +CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JDT 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDV (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC JDX 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC JE0 (5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN JE1 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one +Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C JE2 (4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide +C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC JE3 (5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N JE4 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4 JE6 ~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide +c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N JE7 5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine +CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JE8 5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO JE9 3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate +C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N JEA 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JEB 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O JED 3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5 JEE 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N JEF o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500) +C1C(CC1(C(=O)O)N)C(=O)O JEG trans-1-aminocyclobutane-1,3-dicarboxylic acid +CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEH 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C JEJ 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5 JEK 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC JEN 3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C JEO (3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEQ 5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4 JER (2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol +COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2 JET [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate +CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO JEU 5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile +CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 JEV n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide +c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N JEW 2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F JEX 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole +CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC JEY n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide +Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4 JF0 1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-( +C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C JF1 (1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C JF2 (1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C JF4 (3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium +c1ccc(cc1)COC(=O)c2c[nH]nc2 JF5 (phenylmethyl) 1~{h}-pyrazole-4-carboxylate +c1ccc(cc1)c2c(non2)N JF6 4-phenyl-1,2,5-oxadiazol-3-amine +c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N JF8 5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile +c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4 JF9 n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide +c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl JFA 1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one +c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N JFB 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C1(=C(NC(=O)NC1=O)N)Br JFD 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione +COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JFE 3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5 JFH 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +CNCc1cccc(c1)Cl JFJ 1-(3-chlorophenyl)-n-methylmethanamine +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 JFK (1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CS(=O)(=O)NCCc1ccccc1 JFM n-(2-phenylethyl)methanesulfonamide +C[C@H](COC)N JFN (2r)-1-methoxypropan-2-amine +CCC(=O)Nc1nc(cs1)C JFP n-(4-methyl-1,3-thiazol-2-yl)propanamide +C1CC(CCC1N)NCCCN JFQ trans-n-(3-aminopropyl)cyclohexane-1,4-diamine +c1ccc2c(c1)ncn2c3ccc(cc3)CO JFS [4-(1h-benzimidazol-1-yl)phenyl]methanol +c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl JFT 3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COC(=O)c1ccccc1Oc2ccc(cc2)N JFV methyl 2-(4-aminophenoxy)benzoate +Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF JFX 4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide +CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C JFY n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O JFZ 4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside +c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3 JG1 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one +c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O JG2 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol +c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N JG3 1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline +c1cc(sc1)c2[nH]ccn2 JG4 2-(thiophen-2-yl)-1h-imidazole +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1 JG5 (2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC JG7 (2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c3c(o2)C(=O)NC=N3 JG8 benzofuro[3,2-d]pyrimidin-4(3h)-one +CCNC(=O)Nc1cc(on1)C JGA n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O JGB (~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide +CN(C)c1ccncc1 JGD n,n-dimethylpyridin-4-amine +C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O JGE (r)-ketoprofen +c1cc(ccc1CNC(=O)N2CCOCC2)C#N JGG n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide +[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] JGH 1:2 ce-substituted keggin +C[C@H](c1ccccc1)NC(=O)COC JGJ 2-methoxy-n-[(1r)-1-phenylethyl]acetamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C JGK ~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN JGM {n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide +Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C JGN [(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol +c1cc2c(cc1C(=O)N3CCCCCC3)OCO2 JGP (azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone +CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C JGQ 4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O JGS 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid +Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br JGT ~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine +c1cc2c(cc1C(=O)N3CCOCC3)NNS2 JGV (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JGW 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one +Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2 JGY 1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N JGZ 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide +CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O JH0 6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester +CCn1cc(cn1)C(=O)NCc2ccc(cc2)F JH1 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide +CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C JH2 methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C JH3 methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +CNc1ncccn1 JH4 n-methylpyrimidin-2-amine +c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3 JH5 1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium +CN1C(=CC(=O)N1)Nc2ccccc2 JH7 1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4 JH8 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide +CC1CCN(CC1)c2ccc(cc2Cl)N JHA 3-chloro-4-(4-methylpiperidin-1-yl)aniline +CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHB 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one +CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl JHC [(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +COc1ccc(cc1OC)CN JHD 1-(3,4-dimethoxyphenyl)methanamine +CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHE 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one +c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N JHG 4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C JHH cyclostreptin +COc1ccc(cc1)NC(=O)Nc2ccncc2 JHJ n-(4-methoxyphenyl)-n'-pyridin-4-ylurea +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4 JHK ~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O JHM 2-deoxy-6-o-sulfo-alpha-d-glucopyranose +c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2 JHN (3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione +Cn1cc(c(n1)C(=O)NC2CCCC2)Cl JHP 4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide +CC(=O)NCC1(CCOCC1)c2ccccc2 JHS n-[(4-phenyloxan-4-yl)methyl]acetamide +CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N JHT 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine +c1cc(c(cc1Cl)N)Nc2ccncc2 JHV 4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine +c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5 JHW 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one +c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O JHY 3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid +C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N JHZ (2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO JI1 3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN JI2 n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl JI3 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F JI4 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F JI5 n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl JI7 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O JIA (2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol +c1c(cc(c(c1F)F)F)O JIF 3,4,5-tris(fluoranyl)phenol +c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O JIL 9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine +CC(=O)OC[C@@H](CO)O JIM (2r)-2,3-dihydroxypropyl acetate +Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C JIN 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO JJ1 n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide +CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O JJ2 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O JJ3 (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +Cc1cnc(s1)NC(=O)CCC2CCCC2 JJ4 3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide +c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl JJ5 1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one +CC(=O)N1CCC(CC1)NCCOC JJ7 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one +c1cc(c(cc1Cn2ccnc2)Cl)Cl JJ8 1-[(3,4-dichlorophenyl)methyl]imidazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4 JJA n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4 JJB n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C JJD 2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid +CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO JJE ~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide +c1ccc(cc1)SCCN2CCOCC2 JJG 4-[2-(phenylsulfanyl)ethyl]morpholine +c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O JJH cadazolid +c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N JJJ s-(pyridin-3-ylcarbonyl)-l-cysteine +c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJK s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine +COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJL s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine +Cc1cccc(c1)Nc2c3cnn(c3ncn2)C JJM 1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3 JJN (6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O JJP (2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C JJQ (3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C JJS 5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile +C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O JJT (2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N JJV (6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile +CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JJW (2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N JJX (4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile +c1c2c(nc3c1C(=O)CCC3)CCCC2=O JJY 3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione +c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl JJZ 4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 JK1 3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F JK2 3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br JK3 5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F JK4 6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F JK5 6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4 JK7 n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide +c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl JK8 (2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine +CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O JKA (1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F JKB (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone +c1ccc(c(c1)C(=O)O)S JKE 2-sulfanylbenzoic acid +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC JKF 6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one +c1cc(sc1)CNCc2ccc(cc2)O JKG 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol +C1[C@@H](CN[C@@H]1C(=O)O)[NH3+] JKH 4-amino-proline +COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O JKJ (1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +c1cc(cc(c1)Cl)CNCCS(=O)(=O)O JKK 2-[(3-chlorobenzyl)amino]ethanesulfonic acid +C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O JKM 1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione +CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O JKN 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one +c1c(cc(nc1Cl)Cl)C(=O)O JKP 2,6-dichloropyridine-4-carboxylic acid +CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JKQ (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid +c1cc(ncc1N2CCCC2)C#N JKS 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile +CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O JKT tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate +c1cc(ccc1c2cc([nH]n2)N)Cl JKV 3-(4-chlorophenyl)-1h-pyrazol-5-amine +CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F JKW 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one +CS(=O)(=O)NCc1ccc(cc1)Cl JKY n-[(4-chlorophenyl)methyl]methanesulfonamide +C1CC2=C(C1)NC(=O)C=C2C(F)(F)F JKZ 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one +Cc1ccc(cc1)Sc2c(cccn2)C(=O)O JL1 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N JL2 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile +Cc1nc(cs1)c2ccc(s2)C(=O)O JL4 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C JL5 (2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F JL7 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O JL8 (2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 JL9 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(ccc1C(=O)O)N2CCCCC2 JLA 4-(piperidin-1-yl)benzoic acid +CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JLB (2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid +CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F JLD [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5 JLE (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(sc1)c2nc(cs2)C(=O)O JLG 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C JLH (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C JLJ 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C JLK (2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +Cc1c2ccccc2oc1C(=O)O JLM 3-methyl-1-benzofuran-2-carboxylic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O JLN 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2 JLO (2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal +Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O JLP (2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O JLS (15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide +C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O JLT 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol +CNC(=S)NC1CCCCC1 JLV n-cyclohexyl-n'-methylthiourea +Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C JLW 3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide +COc1ccc(cc1)C2=NCCc3c2ccs3 JLY 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine +[H]/N=C(/c1ccc(c(c1)F)C)\N JLZ 3-fluoro-4-methylbenzenecarboximidamide +c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+] JM1 fluorinated pyridocarbazole cyclopentadienyl ru(co) complex +[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N JM2 n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N JM4 n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine +[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N JM5 n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N JM6 n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine +[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N JM7 n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N JM8 n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine +c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO JMA 4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol +CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 JMB (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N JMC [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1CCO)C#N JMD 4-(2-hydroxyethyl)benzonitrile +c1ccc(cc1)c2ccc(s2)C(=O)O JMG 5-phenylthiophene-2-carboxylic acid +[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O JMH 3-methylcytidine- 5'-monophosphate +CSc1nnc(s1)NC(=O)c2ccco2 JMJ n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4 JMK 2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone +Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C JMN (3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O JMP 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid +c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O JMQ 7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one +Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl JMS 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid +c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O JMT 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +c1cc(cc(c1)Cl)OCC(=O)O JMV (3-chlorophenoxy)acetic acid +c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl JMW 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO JMY 1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N JMZ 6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine +c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3 JN1 (6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione +c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F JN2 3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C JN3 chenodeoxycholic acid +C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1 JN4 ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4 JN5 (2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile +C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN7 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN8 cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc(cc1)S(=O)(=O)NCc2cccs2 JNA n-[(thiophen-2-yl)methyl]benzenesulfonamide +c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O JNB ~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide +CCc1cc2c(s1)N=CNC2=O JND 6-ethylthieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(n1)NCc2ccccc2 JNE 6-methyl-~{n}-(phenylmethyl)pyridin-2-amine +C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4 JNF n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine +c1cc(ccc1SCC(=O)O)Cl JNG [(4-chlorophenyl)sulfanyl]acetic acid +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N JNH 1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile +c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N JNI ~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine +CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N JNJ 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide +COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F JNK n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide +CCCc1ccc(c(c1O)C(=O)C)O JNM 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one +c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl JNN 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide +CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4 JNO 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide +CC1(CC(=O)c2ccc(cc2O1)O)C JNP 7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one +c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3 JNS 5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N JNT [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate +CC(=O)Cc1ccc(c(c1)Cl)Cl JNV 1-(3,4-dichlorophenyl)propan-2-one +c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O JNW 2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid +CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F JNY 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile +c1ccc2c(c1)c(n[nH]2)N JNZ 1h-indazol-3-amine +Cn1c(ccn1)C(=O)NCc2cccs2 JO1 1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO2 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid +CC(CC(=O)O)C(=O)O JO3 (2r)-2-methylbutanedioic acid +c1ccc(cc1)Oc2ccc(cc2)C(=O)O JO4 4-phenoxybenzoic acid +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JO5 4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C JO7 (1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol +c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO8 3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid +CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC JOA (1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane +c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOB 5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +C1CC2(CCC1N3[C@H]2COC3=O)O JOD (5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one +c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O JOE 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid +c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O JOG (1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide +c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOH 2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione +c1nc(c(n1CC(=S)N)Cl)Cl JOJ 2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide +c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O JOK ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide +c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2 JOM 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione +C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O JON [(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O JOP n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea +c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O JOQ [4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1C(=O)O)F JOR 5-fluoranyl-2-(methylsulfonylamino)benzoic acid +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O JOS (2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate +c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O JOT ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide +CC(C)(CO)NC(=O)c1cccc(c1)Cl JOV 3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide +c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O JOW 4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid +c1cnn(c1)Cc2ccc(cc2)C#N JOY 4-[(1h-pyrazol-1-yl)methyl]benzonitrile +c1ccc2c(c1)CCNC2=O JOZ 3,4-dihydroisoquinolin-1(2h)-one +c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl JP1 n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O JP2 2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid +c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N JP3 2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide +c1ccc(c(c1)CO)N2CCOCC2 JP4 [2-(morpholin-4-yl)phenyl]methanol +c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O JP5 (phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3 JP7 (6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O JP8 [(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPA 4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol +c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl JPB ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide +CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl JPC 3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid +CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O JPD methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate +c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N JPE [(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +CC(=O)c1ccccc1Oc2ccccc2 JPG 1-(2-phenoxyphenyl)ethan-1-one +CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4 JPH 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one +c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPJ 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol +Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O JPK 2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide +c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl JPL 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPM 5-benzyl-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPN 2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O JPP piperacillin (open form) +CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C JPQ ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide +Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C JPR 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea +c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3 JPS (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +c1cscc1CC2=C(C(=O)C=C(O2)CO)O JPT 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O JPV (2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N JPW (4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4 JPY n-(pyren-1-ylmethyl)acetamide +c1ccc2c(c1)C(=O)N=CN2 JPZ quinazolin-4(1h)-one +Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C JQ1 (6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C JQ2 3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O JQ4 (1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +CCOP(=O)(C(=O)CCC(=O)O)O JQ5 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid +c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O JQ7 2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide +c1ccc(cc1)C#CC(=O)O JQ8 phenylpropiolic acid +c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O JQA (4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one +c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JQB 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3 JQD (6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O JQE 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid +CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 JQF 3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O JQG (2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JQH prfmn cofactor and phenylpropiolic acid adduct +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C JQK [(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate +Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 JQN 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C JQP n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C JQQ [(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O JQS 5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N JQT (2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid +C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC JQV mycalolide b +c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl JQW 4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine +Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F JQY n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O JQZ prfmn cofactor and phenylpropiolic acid +c1c[nH]c2c1c(nc(n2)N)N3CCCC3 JR2 4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C JR3 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C JR4 ~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide +Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F JR5 (2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide +Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC JR6 2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide +CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl JR7 n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide +CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C JR8 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide +c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5 JR9 n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O JRA 3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1ccc(c(c1)N)N2CCNCC2 JRB 2-piperazin-1-yl-aniline +CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3 JRD n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide +C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O JRE 6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide +CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O JRG n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRH prfmn cofactor and crotonic acid adduct +c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRK prfmn cofactor and butynoic acid adduct +CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2 JRM methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate +Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C JRN prfmn cofactor and pentafluorocinnamic acid adduct +CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O JRO 6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one +CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C JRQ ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRR 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRS 6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3 JRT 2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O JRV methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside +Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C JRW (1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CCCCCCNC(=O)O JRY hexylcarbamic acid +Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O JRZ (2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol +CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3 JS1 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate +C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1 JS2 5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d- ribofuranose +Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2 JS3 2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N JS4 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS5 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS6 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] JS7 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O JSA 5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine +CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O JSB (1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSC [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSD [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSE [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC JSG (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JSH prfmn cofactor and cinnamic acid adduct +CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C JSJ 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine +[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JSK (2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F JSN (6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide +CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JSP (1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N JSQ 2-fluoro-atp +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSR 6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSS 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl JST but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JSV methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside +Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F JSW [(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone +c1cc(cc(c1)C(=O)O)c2ccc(cc2)O JSX 3-(4-hydroxyphenyl)benzoic acid +CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C JSZ ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate +COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl JT0 2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide +c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6 JT1 (2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide +[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N JT2 4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO JT5 n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide +c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO JT6 3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O JT7 n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide +c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O JT8 (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione +c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O JTA 4-hydroxy-8-nitroquinoline-3-carboxylic acid +c1cc(c(cc1Cl)c2cn[nH]n2)O JTB 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTD n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C JTE (2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid +CC1=Cc2cccc(c2NC1=O)NCCN(C)C JTF 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTG n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +CC(C)C1=CC=C(C(=O)C(=C1)O)O JTH 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTJ n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide +C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O JTK (2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTM n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl JTN 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid +CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3 JTP n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine +Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N JTQ 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine +Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2 JTS 4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2 JTT 2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C JTU 6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTV n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide +c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl JTW 4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O JTY 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC(C)NC[C@@H](COc1ccccc1CC=C)O JTZ (2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU1 n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N JU2 2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU4 n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5 JU5 ~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JU7 6-cyclohexylhexyl beta-d-glucopyranoside +Cn1cc(c2c1cccc2)c3cncnc3N JU8 5-(1-methylindol-3-yl)pyrimidin-4-amine +c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6 JUB [7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JUD n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide +CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3 JUE ~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide +c1cc2c(c(c1)O)C(=O)C=CC2=O JUG 5-hydroxynaphthalene-1,4-dione +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3 JUH (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide +c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N JUJ 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N JUK 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium +c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4 JUM 1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C JUN (2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide +c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N JUO 2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C JUP 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5 JUQ (1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N JUS 2-(2-cyanophenoxy)-5-hexylphenol +c1cc(c(cc1c2csc(n2)N)F)F JUT 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine +c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O JUV (2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +Cn1cc(c2c1cccc2)c3ccnc(n3)N JUW 4-(1-methylindol-3-yl)pyrimidin-2-amine +c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O JUY (2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O JUZ 1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea +CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C JV0 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine +c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3 JV1 (~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O JV2 1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F JV4 6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose +Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3 JV5 ~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide +Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 JV8 ~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O JVA 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol +Cc1ccccc1OCC(=O)Nc2cccnc2 JVB 2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide +C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2 JVD n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide +c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F JVE (4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one +c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O JVH 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5 JVJ 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine +CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl JVK (2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5 JVM 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine +c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O JVN (1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol +c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F JVP 5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide +CCN1Cc2cc3c(cc2NCCC1=O)OCO3 JVQ 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O JVS 1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3 JVT n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4 JVY n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide +c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O JVZ (2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol +B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O JW1 {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid +c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2 JW2 ~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide +B(c1cccc(c1)C(=O)NCc2ccco2)(O)O JW3 (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid +Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2 JW4 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO JW5 6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4 JW7 5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O JW8 {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid +C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O JW9 4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C JWA n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide +C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O JWB 2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid +Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C JWD 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline +c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F JWE 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine +CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl JWF 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCCCCCCC(=O)Nc1ccccc1C(=O)O JWH 2-(octanoylamino)benzoic acid +CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O JWK 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C JWM n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C JWN 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2 JWP n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F JWQ (~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide +COc1ccc(c(c1)c2nc(nc(n2)N)N)O JWS 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F JWT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide +COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO JWV n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CCCCCCCc1c(c(c2ccccc2n1)O)O JWW 2-heptylquinoline-3,4-diol +C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4 JWX (1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine +CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC JWY n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea +[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O JWZ 4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide +Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC JX1 n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide +COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 JX2 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5 JX4 6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine +c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I JX5 (2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid +[H]/N=C(/N)\NCCCC(=O)C(=O)O JX7 5-carbamimidamido-2-oxopentanoic acid +c1cc2c(ccc(c2nc1)O)c3[nH]nnn3 JX8 5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol +c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O JXA (2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol +c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N JXB 9-(4-azidobutyl)-8-bromanyl-purin-6-amine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C JXD 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N JXE 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine +CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O JXG (2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N JXH 8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine +c1nc(c2c(n1)n(c(n2)Br)CCCN)N JXK 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine +c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O JXM (8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCn1c2c(c(ncn2)N)nc1Br JXN 8-bromanyl-9-ethyl-purin-6-amine +c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl JXP 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCCn1cnc2c1ncnc2N JXQ 9-hex-5-ynylpurin-6-amine +Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N JXS 7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCn1c2c(c(ncn2)N)nc1Br JXT 8-bromanyl-9-pent-4-ynyl-purin-6-amine +c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O JXV (1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol +Cc1nc2c(ncnc2n1CCCl)N JXW 9-(2-chloroethyl)-8-methyl-purin-6-amine +Cc1nc2c(ncnc2n1CCO)N JXZ 2-(6-azanyl-8-methyl-purin-9-yl)ethanol +C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C JY 3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol +CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O JY1 bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium +Cc1nc2c(ncnc2n1CCCC#C)N JY2 8-methyl-9-pent-4-ynyl-purin-6-amine +Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC JY4 7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline +c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N JY5 3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol +Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F JY7 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline +CCn1c(nc2c1ncnc2N)C JY8 9-ethyl-8-methyl-purin-6-amine +CCn1c(nc2c1ncnc2N)C#C JYB 9-ethyl-8-ethynyl-purin-6-amine +C([C@@H](C(=O)O)S)C(=O)O JYD (2s)-2-sulfanylbutanedioic acid +c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N JYE 9-(3-azidopropyl)-8-bromanyl-purin-6-amine +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1 JYG 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O JYH 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C JYI 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid +c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4 JYJ {4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone +c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N JYK 9-(2-azidoethyl)-8-bromanyl-purin-6-amine +C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N JYM 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine +c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N JYN 9-(4-azidobutyl)purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N JYP adenophostin a +CC(=O)SCCCCn1cnc2c1ncnc2N JYQ ~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br JYS 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione +c1nc(c2c(n1)n(c(n2)Br)CCCO)N JYT 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol +CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC JYV (2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile +c1nc(c2c(n1)n(c(n2)Br)CCCCO)N JYW 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol +COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO JYY 4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O JYZ (~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccccc1O JZ0 o-cresol +CCc1ccccc1O JZ1 2-ethylphenol +Cc1ccc(cc1O)Cl JZ2 5-chloro-2-methylphenol +COc1ccccc1O JZ3 guaiacol +CCCc1ccccc1O JZ4 2-propylphenol +c1cc(sc1)/C=N\O JZ5 (nz)-n-(thiophen-2-ylmethylidene)hydroxylamine +c1c(cn[nH]1)Cl JZ6 4-chloro-1h-pyrazole +CCO[C@@H]1CCC=CO1 JZ7 (2s)-2-ethoxy-3,4-dihydro-2h-pyran +Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3 JZ8 5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium +c1c[nH]c2c1CCCC2 JZ9 4,5,6,7-tetrahydro-1h-indole +C1COCCN1C(=O)N2CCS2(=O)=O JZA 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine +c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O JZB (5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O JZC (5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZD 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZE 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O JZF ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate +Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O JZG 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O JZH (3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one +c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2 JZI (2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid +c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br JZJ (3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline +c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl JZK 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide +c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl JZL 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide +c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N JZM 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O JZN 1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide +CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4 JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZP (4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZQ (4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O JZR hexyl beta-d-glucopyranoside +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O JZS n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide +CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C JZT (2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N JZU 5'-deoxy-5'-(sulfamoylamino)adenosine +C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F JZV methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5 JZW [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5 JZX 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine +Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C JZY 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine +CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC JZZ 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one +[K+] K potassium ion +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O K00 (2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2 K01 n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C K02 (5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C K03 n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2 K04 (2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) +COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O K05 (e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide +CN(C[C@H]1CCOC1)c2c(cncn2)Cl K07 5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine +CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4 K08 5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4 K09 5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +Cc1c(nc(s1)C)C(=O)N2CCCC2 K0A (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone +c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7 K0B ~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine +C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2 K0D [(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone +c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6 K0E ~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine +c1ccc(cc1)NC(=O)Nc2cccnc2 K0G n-phenyl-n'-pyridin-3-ylurea +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0H methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O K0I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +CCNC(=O)c1c[nH]nn1 K0J n-ethyl-1h-1,2,3-triazole-4-carboxamide +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0K 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid +Cc1cc(cc(c1OCC(=O)O)C)N K0L (4-amino-2,6-dimethylphenoxy)acetic acid +Cc1cc(on1)C(=O)Nc2ccn(n2)C K0M 3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N K0N (~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +CCn1cc(cn1)CNC(=O)c2cccnc2 K0P n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O K0Q ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide +CCCc1nnc(s1)NC(=O)c2ccccn2 K0S n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C K0T (2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid +CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC K0V methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate +[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K0W [(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate +c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F K0X (7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide +Cc1cc(no1)C(=O)NCC(=O)OC K0Y methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br K0Z (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C K10 1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F K11 n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine +C(CCCCCCOP(=O)(O)O)CCCCCO K12 12-hydroxydodecyl dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N K13 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K14 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate +CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O K15 5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine +c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K17 4,5,6,7-tetrabromo-benzimidazole +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 K19 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +Cc1c(c(on1)C)CN2C(=O)SC(=N2)C K1A 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one +c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O K1B (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide +c1[nH]c2c(n1)c(ncn2)N3CCC3 K1D 6-(azetidin-1-yl)-9h-purine +Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N K1E methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate +CC(C)N(C)c1c2cnn(c2ncn1)C K1G n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N K1H methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate +Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C K1J (2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 K1N (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1nc(sn1)N2CCCNCC2 K1P 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC K1Q 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide +C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N K1R (2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid +CCN(CC)c1cc(nc2n1ncn2)C K1S n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN K1T 5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2 K1U (3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid +CC(=O)N1CCC[C@H](C1)C(=O)N K1V (3r)-1-acetylpiperidine-3-carboxamide +c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N K1W 4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +Cc1nc(c(s1)NC(=O)OC)c2ccccc2 K1Y methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N K1Z [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K20 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4 K21 4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine +c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2 K22 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl K23 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid +Cc1ncc(s1)C(=O)NC K24 n,2-dimethyl-1,3-thiazole-5-carboxamide +CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K25 4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C K26 n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N K27 4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K28 [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O K29 (3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO K2A (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C K2B (8alpha,9beta)-cholest-4-en-3-one +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 K2C 6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K2D (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K2E (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +CC(C)c1ncc(c(n1)C(=O)N)Cl K2G 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide +CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O K2H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CNc1nccc(n1)OC K2J 4-methoxy-n-methylpyrimidin-2-amine +c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K2K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3 K2N ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +c1ccc(c(c1)C(=O)O)OC(F)(F)F K2P 2-(trifluoromethoxy)benzoic acid +C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O K2Q (1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid +c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O K2R 3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid +Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C K2S n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide +Cc1ccc2c(c1)sc(n2)N K2T 6-methyl-1,3-benzothiazol-2-amine +c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2 K2U (3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid +C[C@H](c1ccc(cc1)c2cncnc2)N K2V (1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K2W (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K2Y (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate +CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 K2Z benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate +C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F K30 (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +Cc1c(c(n[nH]1)C)c2ccccc2N K31 2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline +c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2 K32 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one +CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O K33 2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose +c1csc(n1)c2[nH]ncn2 K34 5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole +CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO K35 ~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2 K36 (1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K37 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K38 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol +Cc1cc(n[nH]1)NC(=O)C K3A n-(5-methyl-1h-pyrazol-3-yl)acetamide +c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K3B (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol +CCNC(=O)N1CCN(CC1)C(=O)C K3D 4-acetyl-n-ethylpiperazine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N K3E (2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol +O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8 K3G phosphomolybdate keggin +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K3H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CCNc1ccc(nn1)C K3J n-ethyl-6-methylpyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K3K (2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +Cc1ccc(c(c1)F)C(=O)N K3M 2-fluoro-4-methylbenzamide +CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4 K3N 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide +Cn1cc(cn1)Oc2c(cncn2)Cl K3P 5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O K3Q 3,6-o-dimethyl-d-glucose +CCNCc1cn(nn1)C K3S n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine +c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3 K3T 3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2 K3U s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate +COc1ccc2c(c1OC)C(=O)NN=C2 K3V 7,8-dimethoxyphthalazin-1(2h)-one +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC K3W 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide +Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N K3Y 1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide +COc1ccc(cc1)/C=C/C(=O)O K3Z (e)-3-(4-methoxyphenyl)acrylic acid +CC(C)C(=O)Nc1nnn(n1)C K41 2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide +c1cc(ccc1O)OCCN K42 4-(2-azanylethoxy)phenol +C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br K44 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole +CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N K45 4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C K47 [(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone +[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C K4A 1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N K4B 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide +c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F K4D flecainide +COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl K4E n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C K4F 4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide +CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O K4G 3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide +c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N K4H 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide +B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4J (4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O K4K (3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide +B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4M (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid +c1cc(ccc1O)S(=O)(=O)N K4N 4-oxidanylbenzenesulfonamide +B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O K4P 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +CCCCCCCC(=O)OC[C@@H](C=O)N K4Q [(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate +B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O K4S (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid +Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3 K4T ~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(=O)Oc1ccc(cc1)[N+](=O)[O-] K4V 4-nitrophenyl acetate +CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O K4W 4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol +COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N K4Y 4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+] K4Z 3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N K51 4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile +C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K52 ~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5 K53 (5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5 K54 (5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O K55 (2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O K56 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O K57 (4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide +C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3 K58 4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N K5A 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide +C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O K5B 4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N K5C 4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide +c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O K5D 2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2 K5E (4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione +c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O K5G 4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide +C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O K5H (2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O K5J 4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl K5K 2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid +C([C@H](C(=O)O)N)OC(=O)CC(=O)O K5L (2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O K5M 4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K5N 2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide +CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC K5P (3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid +c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O K5Q (2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5 K5S [(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N K5T (2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid +c1cc(cc(c1)O)N K5V 3-aminophenol +c1cc(c(c(c1)S(=O)(=O)N)F)F K5W 2,3-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O K5Y salmeterol +[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5 K60 5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5 K62 (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide +Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C K64 3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide +[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N K65 ~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide +CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K66 [4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid +CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C K67 n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) +c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K68 (4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid +[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N K6B 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O K6G [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate +C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl K6H (2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid +CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC K6K 3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F K6M n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide +[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N K6N 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide +CC(C)(C)NCCCNC(=O)c1cccc(c1)I K6P n-[3-(tert-butylamino)propyl]-3-iodobenzamide +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F K6Q 4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine +CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C K6S n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide +[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N K6T 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide +CCCC(=O)N[C@@H](C)CO K6V n-[(2s)-1-hydroxypropan-2-yl]butanamide +[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N K6W 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide +c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br K6X 3,4,5,6,7-pentabromo-1h-indazole +Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O K6Y (5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N K6Z 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide +c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO K70 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium +CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O K71 3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F K72 1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N K73 (2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide +CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br K74 n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide +CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC K75 (8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F K76 (2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one +CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2 K78 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol +c1c(nc(c(n1)C(=O)O)C(=O)O)O K7A 5-hydroxypyrazine-2,3-dicarboxylic acid +c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O K7D 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid +S[Cu]S([Cu])([Cu])[Cu] K7E sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper +Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N K7F 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide +c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2 K7G thiapronil +CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N K7H ~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O K7I l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O K7J n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O K7K 2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal +C[C@H](Cc1ccccc1)NO K7M (2r)-n-hydroxy-1-phenylpropan-2-amine +[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N K7Q ~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide +Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F K7S n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K7V neo-inositol pentakisphosphate +CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl K7Z (2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid +Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O K80 (2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol +Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F K81 n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide +CCCOc1ccc(cc1Cl)CN K82 1-(3-chloro-4-propoxyphenyl)methanamine +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC K83 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2 K84 (9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one +CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F K85 propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC K86 4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide +Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C K87 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide +CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2 K88 (3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide +c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F K89 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide +c1c(cncc1Br)c2n[nH]nn2 K8A 3-bromo-5-(2h-tetrazol-5-yl)pyridine +C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C K8B 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine +CNc1ccc(c(c1)C(=O)O)C(=O)O K8D 4-(methylamino)benzene-1,2-dicarboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O K8G 4-nitrobenzene-1,2-dicarboxylic acid +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O K8H (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol +c1cc(c(cc1F)C(=O)O)C(=O)O K8J 4-fluorobenzene-1,2-dicarboxylic acid +c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F K8K ~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide +c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl K8M (3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br K8N (1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol +C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O K8P [(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate +c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I K8Q 4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4 K8S (3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O K8T 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide +c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O K8V 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid +[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide +c1[nH]c2c(n1)c(c(c(c2I)I)I)I K8X 4,5,6,7-tetraiodo-1h-benzimidazole +c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O K8Y 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid +c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl K91 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol +[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +CC(C)(C[C@@H](C(=O)O)N)C(F)F K94 4-(difluoromethyl)-l-leucine +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C K95 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3 K97 3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O K99 (2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N K9A 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O K9B (4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O K9H {2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid) +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O K9J 1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O K9K (10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide +c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4 K9L (1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5 K9M 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C K9P 1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one +c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O K9Q (2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c(cs2)CN K9S 1-(1-benzothiophen-3-yl)methanamine +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4 K9T 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate +c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F K9V n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N K9W (2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N K9Y 1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N K9Z (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4 KA2 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol +c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F KA4 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide +COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC KA5 5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine +COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F KA7 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N KA8 (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N KAA 5'-o-[(l-lysylamino)sulfonyl]adenosine +C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O KAB kabiramide c +c1ccc(cc1)C(=O)NCCCC(=O)O KAC 4-(benzoylamino)butanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O KAF n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine +C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 KAG 2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate +C[C@H]([C@@H](CCC(=O)O)O)N KAH 5-amino-4-hydroxyhexanoic acid +CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O KAI 3-(carboxymethyl)-4-isopropenylproline +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N KAK 3'-deoxy-guanosine-5'-monophosphate +C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O KAL kalimantacin +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O KAM n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N KAN kanamycin a +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4 KAO 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea +C[C@@H](C(=O)CCCCCC(=O)O)N KAP 7-keto-8-aminopelargonic acid +CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN KAQ (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O KAR 3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine +B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O KAS 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid +c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 KAT (4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5 KAV n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide +c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4 KAW n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan +Cc1ccc(c(c1)C(=O)O)C(=O)O KAY 4-methylbenzene-1,2-dicarboxylic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O KAZ 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O KB0 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol +c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F KB1 5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine +CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3 KB2 (3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl KB4 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1nc(c2c(n1)[nH]c(n2)S)N KB5 6-azanyl-9~{h}-purine-8-thiol +CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O KB7 5'-o-(ethylcarbamoyl)guanosine +Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3 KB8 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O KBA 2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside +c1cc(c(cc1F)S(=O)(=O)N)F KBB 2,5-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBD 5'-o-(benzylcarbamoyl)guanosine +C(C[C@@H](CC(=O)O)N)CN KBE beta-lysine +c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O KBF 3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide +C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O KBG beta-d-arabino-hexopyranos-2-ulose +c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F KBH 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid +c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F KBI trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol +c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBJ 5'-o-[(2-phenylethyl)carbamoyl]guanosine +CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O KBK [(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid +COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl KBM (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone +c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S KBN 2-(trifluoromethyl)-9~{h}-purine-6-thiol +CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O KBP s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate +c1c[nH]c2c1C(=O)NC(=S)N2 KBQ 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO KBR icaridin +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC KBS 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid +CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KBT 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N KBV (3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid +[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O KBW re4(mu3-oh)4(co)12 +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC KBY n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine +c1cc(ccc1C#N)S(=O)(=O)N KBZ 4-cyanobenzenesulfonamide +CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C KC1 chlorophyll c1 +Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O KC2 chlorophyll c2 +CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F KC4 n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide +COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O KC5 (4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O KC6 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid +c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO KC7 (1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 KC8 2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one +CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F KCA methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O KCD 7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide +C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN KCE [(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane +c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O KCH 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +c1c(ncs1)C[C@@H](C(=O)O)N KCJ 3-(1,3-thiazol-4-yl)-l-alanine +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N KCM n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine +O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6 KCO co-substituted beta-keggin +CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O KCP 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC(=O)[C@H](C[C@@H]1CCNC1=O)N KCQ (3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one +C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N KCR n-6-crotonyl-l-lysine +C(=S)(S)S KCS carbonotrithioic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O KCT (5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid +C(CCNC(=O)O)C[C@@H](C(=O)O)N KCX lysine nz-carboxylic acid +C(CS)[C@H](C(=O)O)N KCY d-homocysteine +C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2 KCZ 4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O KD0 3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O KD5 4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4 KD7 n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide +Cc1c(nc2c(n1)C(=O)NC(=S)N2)C KD8 6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O KDA prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid +C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O KDB 3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid +C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O KDD 2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O KDE prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid +C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O KDF 3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid +C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O KDG 2-keto-3-deoxygluconate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O KDH (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N KDI 3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KDJ (1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid +[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N KDK 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC KDL (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDM deamino-alpha-neuraminic acid +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDN deamino-beta-neuraminic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O KDO 3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid +C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O KDP 2-keto-deoxy-galactose +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl KDQ (2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O KDR prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F KDS 4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3 KDT n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)cc(cn2)C#N KDV quinoline-3-carbonitrile +Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C KDW ~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide +c1cc(c2cc[nH]c2c1)CCN KDY 2-(1h-indol-4-yl)ethan-1-amine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KDZ (3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KE1 meropenem, bound form +Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KE2 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O KE4 (4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O KE5 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C KE7 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide +CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C KE8 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F KE9 (e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-] KEA 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEB (3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O KED [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4 KEE (1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O KEF cefuroxime (oct-3-ene form) +O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12 KEG 12-tungstophosphate +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O KEH (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4 KEJ n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl KEK (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO KEL n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O KEM (3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate +CN(C)C KEN n,n-dimethylmethanamine +C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN KEO e(r)-beta-lysyl-hydroxylysine +Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4 KEP n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEQ (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione +c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl KES n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O KET 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O KEU n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid +Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C KEV n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O KEW (3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4 KEY n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide +C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEZ 3-acetylene dicyclotyrosine +COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 KF1 n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O KF2 [(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid +COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 KF4 n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N KF5 9-[(2~{s})-oxan-2-yl]purin-6-amine +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O KF7 [(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O KFA [(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C(CCN)CC(=O)O KFB 5-aminovaleric acid +c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6 KFD n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide +C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O KFE (2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide +COP(=O)(O)OC KFG dimethyl hydrogen phosphate +c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KFH 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-] KFJ 4-(4-nitrophenyl)-l-threonine +Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C KFK 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O KFN 2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid +c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N KFP n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine +c1ccc-2c(c1)NC(=O)c3n2c(nn3)S KFQ 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O KFS [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid +CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O KFT (2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide +CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KFV [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +C1C[C@H]([C@@H](NC1)CO)O KFW (2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol +C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC KFY 9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine +CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O KFZ 2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O KG1 propadienyl 6-deoxy-alpha-l-galactopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N KG4 5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4 KG5 (2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol +C/C(=N\O)/C(=O)O KG7 (2e)-2-(hydroxyimino)propanoic acid +c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O KG8 (5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGA [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O KGB (2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol +C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N KGC n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C KGD beta,psi-caroten-4-one +C1C=C[C@H]([C@@H](N1)CO)O KGE (2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol +COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4 KGG (3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine +C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O KGH (1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGJ [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KGK 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O KGM heptyl alpha-d-mannopyranoside +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KGN d-chiro inositol hexakisphosphate +C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O KGP (2r)-sulfonatepropionyl-amino(dethia)-coa +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC KGQ diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] KGR 5-keto-4-deoxyglucarate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O KGT n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine +CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C KGU ~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N KGV 3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 KGW 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide +CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO KGY 4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide +c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5 KGZ 1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O KH1 5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol +C[N+]1(CCCCC1)CCCS(=O)(=O)[O-] KH2 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate +CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KH3 5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O KH4 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate +c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH5 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH8 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO KHA 1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium +C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O KHB n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4 KHC (4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile +CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N KHD n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide +c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KHE 1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 KHG (1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N KHH methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate +C[n+]1ccc(cc1)c2cc[n+](cc2)C KHJ 1,1'-dimethyl-4,4'-bipyridin-1-ium +c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36 KHK ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine) +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O KHM (1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid +c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12 KHN ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine) +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O KHP 4-nitrophenyl alpha-l-arabinofuranoside +C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F KHQ 1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one +CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F KHS n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide +c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F KHT ~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide +CCC[C@H](c1nnnn1Cc2ccccc2)NN KHW [(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane +Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O KHY (s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol +C(c1[nH]nnn1)NN KHZ 1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane +c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl KI1 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2 KI2 3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid +Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O KI3 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol +Cc1cc(nc(n1)SCCO)C KI5 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol +c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl KI9 2,3,4,6,8-pentachloro-9h-carbazol-1-ol +COC1=CC(=O)C=C(C1=O)OC KIA 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione +COc1cc(cc(c1O)OC)O KIB 2,6-dimethoxybenzene-1,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O KIF kifunensine +c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-] KIJ 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid +C=CC(=O)[C@H](CO)N KIK (4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one +Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC KIM n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F KIN 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3 KIQ (1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O KIR kirromycin +c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O KIU 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid +CC(C)C(=O)C(=O)O KIV 3-methyl-2-oxobutanoic acid +c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O KIW 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid +CCCCCCCCC(=O)NCCCCCCCC(=O)N KJ1 n-(8-amino-8-oxooctyl)nonanamide +c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN KJ2 4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol +[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N KJ4 n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine +CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KJ5 4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1ccc(cc1)C[C@H]2CN=C(N2)N KJ7 (5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine +CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJ8 n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide + KJB 3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one +c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N KJD 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide +CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC KJE 18-carboxymethoxy-cleaviminium +c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O KJG 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione +C=C1c2ccccc2C=CC1=O KJH 1-methylidenenaphthalen-2-one +Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6 KJJ (2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O KJK (3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C KJL archazolid a +[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N KJM 1-(3-chlorophenyl)cyclobutane-1-carboximidamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl KJP 3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJQ (2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol +CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJR n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide +CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C KJS 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole +CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC KJT diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium +c1cc2c(cc1Cl)NC(=O)CO2 KJU 6-chloro-2h-1,4-benzoxazin-3(4h)-one +CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJV 4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide +CC(C)[C@@H]([C@H](C(=O)O)N)O KJW (d)3-hydroxy-leucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C KJX (2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol +Cc1cc(c(c(c1C=O)O)C)O KJY 2,4-dihydroxy-3,6-dimethylbenzaldehyde +c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl KJZ [(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid +CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC KK1 6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine +c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C KK4 3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one +O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4 KK5 zn-substituted alpha-keggin +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F KK6 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile +Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3 KK7 n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5 KK8 n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide +CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C KK9 n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O KKA (2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)O KKD n-acetyl-l-aspartic acid +[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O KKE 1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea +c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl KKF 8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O KKG (4-oxoquinazolin-3(4h)-yl)acetic acid +B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O KKH 1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea +CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O KKJ (2s,3r)-2-hexyl-3-hydroxynonanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KKK 1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N KKL 4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide +C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKM 7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=C2C=COC=C2OC1=O KKN 3-methyl-2h-furo[2,3-c]pyran-2-one +CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKP 7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F KKQ [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone +CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C KKR 1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione +c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5 KKS 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N KKT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide +c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O KKV 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C KKY 6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl KKZ [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C KL1 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N KL2 adenosine-2',3'-vanadate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3 KL4 6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O KL5 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea +Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F KL7 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine +[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KL8 (3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F KLA 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N KLB 5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F KLD 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1ccc(s1)c2ccccc2)/N KLE 5-phenylthiophene-2-carboximidamide +c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLG n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide +c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO KLH n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6 KLI 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one +COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLJ n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide +Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O KLK ~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O KLM 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KLN 1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C KLP n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide +c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F KLQ bictegravir +CNC(=O)NC(=N)Nc1ccccc1 KLS 1-methyl-3-(n-phenylcarbamimidoyl)urea +c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O KLT 2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide +CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O KLV 4-methylumbelliferyl phosphate +c1ccc(c(c1)C(=O)N)C(=O)O KLW 2-carbamoylbenzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC KLY 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N KLZ 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)COc2ccc(c3c2nccc3)Cl KM0 8-(benzyloxy)-5-chloroquinoline +c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl KM1 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline +[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N KM2 7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 KM3 {n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC KM5 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C KM7 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N KM8 ~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3 KMA 6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN KMB 2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C KMD 6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O KME (1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C KMG n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide +C[C@@H](CC(=O)CC(=O)O)N KMH (5s)-5-amino-3-oxo-hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F KMJ 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N KMK methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F KMM 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3 KMN 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol +c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O KMP 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O KMQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C KMS 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CSCCC(=O)C(=O)O KMT 4-(methylsulfanyl)-2-oxobutanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC KMV 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N KMW 3-(4-aminocarbonylphenoxy)benzamide +c1ccc2c(c1)c(c(s2)C(=O)NO)Cl KMY 3-chlorobenzothiophene-2-carbohydroxamic acid +c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O KN0 4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O KN1 4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O KN2 4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol +CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C KN3 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C KN4 6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC KN9 n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide +CCCCCCCCC(=O)O KNA nonanoic acid +CS(=O)(=O)C[C@@H](C(=O)O)N KNB 3-(methylsulfonyl)-l-alanine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N KNC kanamycin c +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C KND 6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O KNG kanglemycin a +CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O KNH myxovirescin a +CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O KNI (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N KNJ (4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide +c1cc(c(c(c1)Cl)OCC(=O)O)Cl KNL (2,6-dichlorophenoxy)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2 KNM ada-(ahx)3-(leu)3-vinyl sulfone +Cc1ccccc1CN KNN 1-(2-methylphenyl)methanamine +c1cc(c(c(c1)F)OCC(=O)O)F KNP (2,6-difluorophenoxy)acetic acid +CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C KNS 6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5 KNT pranlukast +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C KNV 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F KNW (2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F KNZ (2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid +C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O KO1 d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid +C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O KO2 prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid +[OH2][K]([OH2])([OH2])[OH2] KO4 potassium ion, 4 waters coordinated +Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F KO5 (2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid +c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F KOB 2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide +c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOE (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O KOH 3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid +C1=C(OC=C(C1=O)O)CO KOJ 5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one +c1ccc2c(c1)CCN2C(=O)n3ccnn3 KOK (2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KOL (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O KOM 7,8-dihydroxy-4-phenyl-2h-chromen-2-one +c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KON (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +COP(=O)(O)O KOP methyl dihydrogen phosphate +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KOQ (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N KOR l-homocysteine-s-n-s-l-cysteine +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC KOS 17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin +c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KOT 1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O KOU (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O KOV (6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O KOW (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O KOY 5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine +c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOZ (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(CC(C)(C)O)O KP1 2,4-dimethylpentane-2,4-diol +c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N KP2 5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2 KP3 5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine +c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KP5 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(c(n(n1)C)C)CCO KP6 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol +c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KP8 (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C(CC(=O)C(=O)O)CP(=O)(O)O KPA 2-oxo-5-phosphonopentanoic acid +c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F KPB (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(=O)CSCCS(=O)(=O)O KPC (2-[2-ketopropylthio]ethanesulfonate +C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N KPF n-(1-carboxy-2-fluoro-ethenyl) lysine +C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O KPG [(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate +C(CCN)C[C@H](N)P(=O)(O)O KPH [(1r)-1,5-diaminopentyl]phosphonic acid +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O KPI (2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C KPJ 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O KPK 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid +CC(C)(CO)C(=O)C(=O)O KPL ketopantoate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O KPM 2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose +c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O KPN n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine +C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F KPQ 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide +C[C@@H](C(=O)/C=C/OP(=O)(O)O)N KPR [(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate +C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O KPS pseudouridine 5'-phosphate, linear +c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 KPT 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium +c1ccc(cc1)CCCC(=O)C(=O)O KPV 5-phenyl-2-keto-valeric acid +Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N KPW 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide +C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O KPY (2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid +Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5 KQ7 n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide +C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O KQ8 (2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid +[O][Mg](F)(F)F KQB trifluoromagnesate monohydrate +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1 KQD (3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de} +c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4 KQE 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine +CN(C)c1nccc(n1)c2cnn3c2cccn3 KQK ~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N KQP 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide +CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C KQQ 3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F KQS (3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide) +COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6 KQT berberine +CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6 KQV [(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) +CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4 KQW ~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C(CCC(=O)N)CCN KQY 6-aminohexanamide +CN(C)c1nccc(n1)c2c[nH]c3c2cccn3 KQZ ~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +[Kr] KR krypton +CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC KR0 3-decanoyloxypropyl decanoate +Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N KR1 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile +c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N KR2 (2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl KR4 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol +Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C KR5 4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide +c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O KR7 (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid +CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4 KR8 ~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O KRA kurasoin a +c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3 KRB kurasoin b +CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC KRC (9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl KRD 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide +COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 KRE ~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide +CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C KRG 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C KRH 5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N KRI (s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid +c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N KRJ 4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide +c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F KRK 3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine +CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N KRL 5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide +c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4 KRM 4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine +Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O KRO 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRP 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile +CNc1nccc(n1)c2cnn3c2cccn3 KRQ ~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O KRS cladosporin +B(c1cccc(c1)/C=C/C(=O)O)(O)O KRT (~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid +CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRV 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3 KRW 2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol +COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KRX 6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N KRY 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide +c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I KRZ (2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N KS1 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KS2 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KS3 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol +COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N KS4 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N KS5 1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC KS7 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane +c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O KS8 fosinoprilat +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O KSA k-252a +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N KSB lambda-[ru(tap2-dppz-cn]2+ +Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4 KSC 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC KSD n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine +Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N KSE 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl KSF n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N KSG (1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside +CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO KSH 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O KSJ [(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N KSK 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C KSL n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl KSM n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine +C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N KSN (2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O KSP [(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4 KSR 6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine +CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC KSS 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine +c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N KST n~6~-(5-carboxy-3-thienyl)-l-lysine +CCOP(=O)(O)OC[C@@H](CO)O KSV (2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate +CC1=CC=CC1=O KSW 2-methylcyclopenta-2,4-dien-1-one +c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O KSY 4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC KSZ ~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate +COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O KT1 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O KT2 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O KT3 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O KT4 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O KT5 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(cc1O)C(=O)NC2=O KT7 5-hydroxy-1h-isoindole-1,3(2h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N KT8 2'3'-cyclic-gmp-2'f-2'damp +C1C[C@@H](CC(=O)C1)CC(=O)O KTA (s)-cyclohexanone-2-acetate +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O KTB neugc gm3 +CCCCCCCCC(=O)CCCCCCCCC(=O)O KTC 10-oxooctadecanoic acid +c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3 KTD 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O KTE (2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol +c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O KTG 4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1csc(n1)C=O KTH 2-ketothiazole +c1cc(ccc1c2c[nH]nc2N)O KTJ 4-(3-amino-1h-pyrazol-4-yl)phenol +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O KTK 4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O KTL (1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O KTM 4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KTN cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine +c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4 KTO (2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal +c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O KTP (2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid +COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-] KTQ ~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine +c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O KTR (1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid +C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O KTU prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid +c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O KTV 4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +[H]/N=C(\c1cc2c(s1)cccc2Cl)/N KTW 4-chloranyl-1-benzothiophene-2-carboximidamide +CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4 KTZ n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O KU0 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O KU1 n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU2 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide +CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O KU4 2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU5 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O KU7 2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F KU8 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O KU9 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O KUA {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone +C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F KUB 4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O KUD [(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4 KUE ~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1ccc2c(c1)C(=O)NC=C2 KUF 7-methyl-2h-isoquinolin-1-one +c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O KUG [(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC KUH ~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C KUJ (3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione +c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O KUK (2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid +COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4 KUM [2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N KUN (~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid +COc1ccc(cc1OC)Cc2cnc(nc2N)N KUP 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine +c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KUQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O KUT kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N KUV 5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N KUY 5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC KV1 n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide +c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl KV4 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine +c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KV5 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6 KV9 7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F KVB 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F KVC (5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile +c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O KVD 5-(phenylethynyl)pyridine-3-carboxylic acid +c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVE (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVH (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C KVI (2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide +CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide +C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O KVM [(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid +c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVN (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol +C[N+](C)(C)C[C@H](O)P(=O)(O)O KVP (2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O KVS n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide +Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C KVT ~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +C[N+](C)(C)CCP(=O)(O)O KVV n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVW (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol +CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N KVY 4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O KVZ 2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide +Cc1c(c(no1)NC(=O)CSCC(=O)O)Br KW1 ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid +C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O KW5 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide +COC(=O)c1c(c(c[nH]1)c2ccccc2F)N KW7 methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate +CC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KW8 (1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl KWA 1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine +c1cc(c(cc1C2CCCCC2)C(=O)[O-])O KWB 5-cyclohexyl-2-hydroxybenzoate +c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl KWD 2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide +c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4 KWE 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione +c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O KWG 3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid +CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWH (1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C KWJ (7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC(C)CCNCCc1c[nH]c2c1cccc2 KWK ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine +Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O KWM [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C KWN (1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid +c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl KWP ~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide +CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWQ (1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O KWS {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C KWT (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate +CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl KWV ~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN KWW 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4 KWY 4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide +c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3 KWZ 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile +c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3 KX1 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC KX2 (4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KX5 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid +c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O KX7 icilin +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O KX8 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid +Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN KXA 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN KXB 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KXE 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N KXG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate +CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN KXH ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate +CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO KXJ n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O KXK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O KXM [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O KXN (2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KXO 6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC KXP (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate +c1cc2cc[nH]c2c(c1)C(=O)O KXQ 1~{h}-indole-7-carboxylic acid +C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C KXS (1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide +c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4 KXT 2,6-diphenylimidazo[1,2-a]pyridine +Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C KXU 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide +COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KXV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid +c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KXW (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O KXZ 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid +c1ccc(c(c1)C(=O)CCC(=O)O)N KY1 4-(2-aminophenyl)-4-oxobutanoic acid +[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KY2 1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine +CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC KY3 (1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid +c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O KY4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY5 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O KY7 {(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY8 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1ccc2c(c1)c(cc(n2)C(=O)O)O KYA 4-hydroxyquinoline-2-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYB 1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine +Cc1c(c(n[nH]1)C)C(=O)O KYD 3,5-dimethyl-1h-pyrazole-4-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYE (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid +C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O KYG (1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] +[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYH 1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine +c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N KYJ (2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYK n6-benzyl-(alpha,beta)-methylene-adp +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O KYM (2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N KYN (2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O KYP 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide +C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N KYQ (e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl KYS n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii) +CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C KYT (3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii) +c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O KYV 2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide +CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYW (n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O KYY 2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide +CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC KYZ ~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZ1 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2ccsc2c(c1)C(=O)O KZ2 1-benzothiophene-7-carboxylic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O KZ4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O KZ5 (2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O KZ7 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4 KZ8 ~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2 KZ9 (s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one +C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1 KZB (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol +C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O KZE [(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O KZG {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid +CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O KZH (13-oxo-9(z),11(e),15(z)-octadecatrienoic acid) +COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N KZI 5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide +CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N KZJ 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4 KZK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide +CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC KZL 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide +COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N KZM 5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4 KZN ~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N KZP 5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4 KZQ (4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC KZS n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine +COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4 KZT ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O KZV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZY {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3 KZZ 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N L00 (2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O L01 3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide +c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl L02 4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine +CSc1[nH]c(nn1)c2ccc(cc2)Cl L03 3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole +CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O L04 6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid +COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4 L05 1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione +C(C[C@@H](CS)C(=O)O)CNC(=N)N L06 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid +CCCc1nc2c(s1)c3ccccc3nc2N L07 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine +CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C L08 1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine +CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl L09 n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea +C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 L0A digitonin +CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O L0B alpha-lobeline +c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F L0C 4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium +c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3 L0D 2-(1h-pyrazol-3-yl)-1h-benzimidazole +c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5 L0E 4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0F n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5 L0G 2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0H n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5 L0I 4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3 L0J n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4 L0K ~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6 L0M n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C L0N ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5 L0P n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C L0Q ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3 L0R 1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone +CCN(CC)/C(=N/[P@@](=O)(C)OC)/C L0S methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate +CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O L0T 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC L0W lipopolysaccharide fragment +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4 L0Y 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C L0Z 4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide +CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3 L10 n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea +c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F L11 n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro- +c1ccc2c(c1)c(c[nH]2)CCc3ccncc3 L12 3-(2-pyridin-4-ylethyl)-1h-indole +Cc1ccccc1C2=NNC(=S)N2N L13 4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione +C1CC(CCC1C(=O)O)C(=O)O L14 trans-cyclohexane-1,4-dicarboxylic acid +Cc1c(c[nH]n1)c2ccc(cc2)CCN L15 2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine +C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl L17 l17 +C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2 L18 (2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine +COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 L19 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid +CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O L1A n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide +CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC L1B 7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium +c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl L1C (2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide +c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O L1D (2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide +Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl L1E n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N L1G n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O L1H 3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O L1K ~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O L1L 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +CCN(CC)/C(=N/[P@H](=O)OCC)/C L1M ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate +c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O L1O 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L1P 3-phosphoryl-[1,2-di-phytanyl]glycerol +CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F L1Q 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide +CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl L1R 4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide +COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N L1S methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate +[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide +c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L1V 4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7 L1W ~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C L1X n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O L1Y 4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6 L1Z ~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N L20 (2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +CC(=CCn1cnc(c-2ncnc12)N)C L21 3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine +c1cnc(nc1c2csc(n2)N)N L22 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine +Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N L23 4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine +c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O L24 [[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O L25 ~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C L26 4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 L27 {1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N L28 n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide +CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 L29 n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) +CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O L2A (2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O L2B 3'-deoxyuridine-5'-monophosphate +CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC L2C (2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate +C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5 L2D {2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron +CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C L2E (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N L2G n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C L2H (12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione +c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F L2J n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide +c1cc(c(cc1C2=NNC3=NCCN3C2)F)F L2K 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine +C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7 L2M {(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O L2N ~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CC(C)C[C@H]([C@@H](C(=O)O)O)N L2O (2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L2P 2,3-di-phytanyl-glycerol +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6 L2Q [(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate +Cc1ccc(cc1)SCC(=O)N2CCCCC2 L2S 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine +Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 L2T 4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O L2W ~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCN(CC)/C(=N/[P@](=O)(C)F)/C L2Y (s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O L2Z ~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +c1ccc2c(c1)cccc2NC(=O)c3cccnc3 L30 n-(naphthalen-1-yl)pyridine-3-carboxamide +Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O L31 3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol +c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br L32 {[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C L33 4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O L34 4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid +CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl L35 2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid +CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC L36 ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N L37 [[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid +C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI L39 (3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione +C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O L3A (2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid +Cc1ccccc1C2=NC(=S)N=N2 L3B 5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione +Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C L3D (2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F L3E 4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N L3G n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3 L3H [(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate +CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C L3J (e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide +c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3 L3L 3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide +CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O L3M (3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CC(C)C[C@@H]([C@@H](C(=O)O)O)N L3O (2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L3P 2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate +C1CN2[C@@H](CN1)COC2=O L3Q (8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one +Cc1ccc(c(c1)O)[N+](=O)[O-] L3S 5-methyl-2-nitrophenol +Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4 L3T n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N L3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)Nc1ccc(cc1)CO L3V n-[4-(hydroxymethyl)phenyl]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N L3W [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CS(=O)(=O)c1ccc(cc1)C=O L3Y 4-(methylsulfonyl)benzaldehyde +c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2 L3Z 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C L40 4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide +CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O L41 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3 L43 3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC L44 (2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O L45 ~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)NC)C)C(=O)C L46 4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O L47 3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol +C(CO)c1c(nc(o1)CCO)C(=O)O L4A 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid +C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C L4B (4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid +CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O L4C (2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid +C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4 L4D {(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C L4E geranylgeranyl dihydroxybenzoate +CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O L4G 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol +CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C L4H farnesyl dihydroxybenzoate +CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1 L4J n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CCCCCc1ccc(cc1)S(=O)(=O)N L4K 4-pentylbenzenesulfonamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L4M 4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L4P 3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol +CCCCCCc1ccc(cc1)S(=O)(=O)N L4Q 4-hexylbenzenesulfonamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O L4S 2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L4T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide +CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O L4V 13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione +CCCCCOc1ccc(cc1)S(=O)(=O)N L4W 4-pentoxybenzenesulfonamide +C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1 L4Y (5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n(n1)C)CNC(=O)O L4Z (2,5-dimethylpyrazol-3-yl)methylcarbamic acid +Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L50 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N L51 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO L52 n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O L53 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O L54 {(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C L55 n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L56 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid +c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl L57 ({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O L58 4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O L59 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O L5A (4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF L5B 6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C L5C n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)c2cccc(c2)C(=O)O L5D 3-(3-methylphenyl)benzoic acid +c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br L5E [(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5 L5G 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline +c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4 L5H ~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide +c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O L5J (4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O L5K ~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide +c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O L5N 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid +C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N L5P (2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid +Cc1cc(no1)C(=O)NCC(F)(F)F L5Q 5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide +Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4 L5S 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L5T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide +c1c(nc(cn1)Cl)c2nc[nH]n2 L5V 2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine +C1CC2(CCC1C2)C(=O)NO L5W ~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide +c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO L5Y 2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol +c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4 L5Z (1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +C1CNC(=O)NC1 L60 1,3-diazinan-2-one +CC(C)COC(=O)N[C@H](CC=O)c1ccccc1 L61 2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2 L62 cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O L63 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7 L64 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea +Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O L66 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O L67 {(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O L68 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid +CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O L69 [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid +COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O L6B methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate +c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2 L6C phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O L6E [2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L6G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione +C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 L6H [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C L6I (3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid +COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O L6J [(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid +CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O L6K (2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O L6M 5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine +c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N L6P 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O L6S 6-o-sulfo-alpha-l-galactopyranose +CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O L6T alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside +c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N L6V n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide +c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O L6Y 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione +CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN L71 (3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione +c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl L74 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5 L75 n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F L76 1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F L77 2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide +CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C L79 (s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid +c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3 L7A n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide +c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O L7D 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L7G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC L7H ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F L7J 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole +c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN L7K [(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C L7M 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O L7N (~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium +CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 L7O n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide +c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O L7P 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol +CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N L7S 3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F L7T 2,3,4,5,6-pentafluorobenzenesulfonamide +c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4 L7Y 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one +c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F L80 (3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol +CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C L81 1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O L84 (1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O L85 4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid +c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl L86 (11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C L87 8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6 L88 (4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid +c1cncc(c1N)N L89 pyridine-3,4-diamine +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F L8A 1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O L8B (4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO L8C n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC L8D (5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L8G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +COc1cc(cc2c1cccc2)N L8H 4-methoxynaphthalen-2-amine +CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F L8I 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one +c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br L8J [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C L8M n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N L8N phenyl-(4-sulfamoylphenoxy)phosphinic acid +C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O L8P ({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid +COc1ccc(cc1O)[N+](=O)[O-] L8Q 2-methoxy-5-nitro-phenol +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O L8S 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione +c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F L8V 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C L8W (+)-jd1 +CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F L8Y 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C L90 8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F L91 6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4 L92 (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid +C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N L94 n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium +CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N L95 [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate +Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5 L96 3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid +c1cc(c(nc1)Cl)N L97 2-chloranylpyridin-3-amine +c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O L98 (2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid +c1cc(c(cc1C(=O)NN)N)N L99 3,4-bis(azanyl)benzohydrazide +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3 L9A 6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +c1cc(ccc1CCCCO)S(=O)(=O)N L9B 4-(4-oxidanylbutyl)benzenesulfonamide +[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O L9D (1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid +Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N L9G 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C L9J (1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide +CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5 L9K (~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine +c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F L9L 5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N L9M (2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N L9N (2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C L9P voxilaprevir +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC L9Q (1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC L9R (2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5 L9S n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea +Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C L9T n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 L9W n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N L9X l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3 L9Y 4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid +C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O L9Z (1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +[La+3] LA lanthanum (iii) ion +CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC LA1 (2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S LA2 n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O LA3 (2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O LA4 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O LA5 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C LA6 (2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +Cc1ccc(c(n1)CO)O LA7 2-(hydroxymethyl)-6-methylpyridin-3-ol +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N LA8 l-adenosine-5'-diphosphate +C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O LA9 (2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +[C@H]([C@H](C(=O)O)O)(C(=O)N)N LAA (3r)-3-hydroxy-l-alpha-asparagine +C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C LAB latrunculin b +C[C@H](C(=O)O)O LAC lactic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N LAD adenosine-5'-[lysyl-phosphate] +CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O LAE 3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide +C(CC(=O)O)C(=O)CF LAF 5-fluorolevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O LAG maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime +CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O LAH 2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose +C([C@@H]([C@@H]([C@H](C=O)O)O)O)O LAI l-arabinose +CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C LAJ n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O LAK beta-d-galactopyranosyl-1-6-beta-d-glucopyranose +C[C@@H](C(=O)O)N(C)C LAL n,n-dimethyl-l-alanine +c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O LAM 4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside +C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C LAN lanosterol +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O LAO 2-o-phosphono-alpha-l-arabinopyranose +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LAP [2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N LAQ 5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C LAR latrunculin a +C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O LAS n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LAT beta-lactose +CCCCCCCCCCCC(=O)O LAU dodecanoic acid +CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N LAV n-[(2s)-2-amino-4-methylpentyl]-l-valine +CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O LAX eicosa-8,11,14-trienoic acid +CC(C)C[C@@H](C(=O)O)NC(=O)C LAY n-acetyl-l-leucine +c1cc(ccc1C(=O)NCCO)Cl LAZ n-(2-aminoethyl)-p-chlorobenzamide +CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3 LB1 (1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LB2 3-o-beta-d-glucopyranosyl-beta-d-glucopyranose +Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4 LB4 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide +Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB5 ~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br LB6 n-[(6-bromo-1h-indol-1-yl)acetyl]glycine +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C LB7 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB8 ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide +c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O LBA 2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid +Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LBB ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide +C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C LBD n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N LBE 5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C LBF leptomycin b +COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3 LBG methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate +Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO LBH panobinostat +C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC LBK 6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O LBL (2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C LBM 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC LBN 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine +CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N LBP (2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid +c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N LBQ 4-(furan-2-ylmethylamino)benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr LBR (2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O LBS 6-o-beta-d-fructofuranosyl-beta-d-fructofuranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LBT alpha-lactose +COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O LBU methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate +C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBV 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid +C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBW 3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N LBY n~6~-(tert-butoxycarbonyl)-l-lysine +c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N LBZ (2~{s})-2-azanyl-6-benzamido-hexanoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LC l-cytidine-5'-monophosphate +Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N LC0 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine +c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3 LC1 2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide +C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O LC2 n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide +c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O LC3 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +c1cn(cn1)CCCCCCCCCCCC(=O)O LC4 12-(1h-imidazol-1-yl)dodecanoic acid +CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O LC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid +Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7 LC6 7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O LC7 [(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N LC8 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N LCA [(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LCB 4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCC [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O LCD {[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid +CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O LCE (1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid +CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C LCF [6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N LCG [(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCH [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 LCI [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium +c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO LCJ 5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide +C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O LCK (z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine +c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] LCL 2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide +c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O LCM n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide) +C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O LCN 1,5-anhydro-d-arabino-hex-1-enitol +[O-]Cl(=O)=O LCO chlorate ion +[O-]Cl(=O)(=O)=O LCP perchlorate ion +c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N LCQ 2-phenylazanyl-9~{h}-purine-6-carbonitrile +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O LCR (2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O LCS [5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-] LCT n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide +C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O LCV (2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N LCW 2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide +C(CCNC(=O)O)C[C@@H](CO)N LCX carboxylated lysine +CN1C(=O)CCC1=O LCY 1-methylpyrrolidine-2,5-dione +CC(C)C[C@@H](C=O)N LCZ (2s)-2-amino-4-methylpentanal +c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5 LD1 6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4 LD2 6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one +c1cnc(nc1)NC2CCCCCC2 LD4 n-cycloheptylpyrimidin-2-amine +C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LD5 4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3 LD6 n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +CCc1nc(on1)C(=O)NCc2ccc(cc2)F LD7 3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide +COc1ccnc(n1)OC LD8 2,4-dimethoxypyrimidine +c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O LD9 [6-(phenylamino)-1-benzofuran-3-yl]acetic acid +CCCCCCCCCCCC[N+](C)(C)[O-] LDA lauryl dimethylamine-n-oxide +C1=CNC(=O)NC1=S LDB 4-thiouracil +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O LDC 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one +COc1ccc(cc1)C(=O)N2CCCCCC2 LDD (azepan-1-yl)(4-methoxyphenyl)methanone +CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O LDE (2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid +COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O LDG 2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate) +CCNCCCC[C@@H](C(=O)O)N LDH n~6~-ethyl-l-lysine +CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2 LDJ 2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LDK (2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-] LDM 3-laurylamido-n,n'-dimethylpropylaminoxyde +c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +C(CCO)C[C@@H](C(=O)O)N LDO 6-hydroxy-l-norleucine +c1cc(c(cc1CCN)O)O LDP l-dopamine +C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3 LDQ hosieine +c1ccc2c(c1)-c3ccccc3NC2=O LDR phenanthridin-6(5h)-one +CCOc1ccc(cc1)NC(=O)c2cnccn2 LDS n-(4-ethoxyphenyl)pyrazine-2-carboxamide +c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br LDT idd594 +C1[C@H]([C@H]([C@H](N1)CO)O)O LDU dideoxy-imino-lyxitol +CC1CCN(CC1)Cc2c[nH]c3c2cccc3 LDV 3-[(4-methylpiperidin-1-yl)methyl]-1h-indole +c1cc(ccc1Oc2ccc(nc2)N)F LDW 5-(4-fluoranylphenoxy)pyridin-2-amine +C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O LDY alpha-d-lyxopyranose +CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 LDZ n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide +CC(C)([C@@H](C(=O)O)N)S LE1 3-sulfanyl-l-valine +c1ccc(cc1)CCNC=S LE2 n-(2-phenylethyl)thioformamide +C[S@@](=O)CCCCNC=S LE3 n-{4-[(r)-methylsulfinyl]butyl}thioformamide +c1cnc(nc1CO)NC2CCCCCC2 LE4 [2-(cycloheptylamino)pyrimidin-4-yl]methanol +CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F LE7 n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide +CCCCC(=O)O LEA pentanoic acid +CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br LEB 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O LEC 4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +C[C@H](C[C@@H](C(=O)O)N)C=O LED (4r)-5-oxo-l-leucine +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LEE l-gamma-glutamyl-s-hexyl-l-cysteinylglycine +C[C@@H](C[C@@H](C(=O)O)N)CF LEF (4s)-5-fluoro-l-leucine +CCCCCCc1ccc(cc1)C(=O)C=C LEG 1-(4-hexylphenyl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 LEH n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine +CC(C)([C@H](C(=O)O)N)S LEI 3-sulfanyl-d-valine +c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F LEJ 1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide +CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine +c1cnc(cc1C(=O)O)c2cn[nH]n2 LEL 2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid +CC(C)C[C@@H](C(=O)C)N LEM (3s)-3-amino-5-methylhexan-2-one +CC(C)CCN LEN 3-methylbutan-1-amine +CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C LEO d-limonene 1,2-epoxide +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O LEP n~2~-phosphono-l-leucinamide +CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2 LEQ 5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one +C([C@@H](C(=O)CO)O)O LER l-erythrulose +c1cnc(nc1)N[C@H]2CCCCNC2 LES (3s)-n-(pyrimidin-2-yl)azepan-3-amine +C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LET (z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine +CC(C)C[C@@H](C(=O)O)N LEU leucine +CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 l-leucine c-terminal deprotonated fragment +CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H l-leucine c-terminal protonated fragment +CC(C)C[C@@H](C(=O)O)N LEU_LFOH l-leucine free neutral +CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW l-leucine free zwitterion +CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL l-leucine - linking embedded fragment +CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 l-leucine n-terminal protonated fragment +COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 LEV 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide +c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O LEW 1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole +CC(C)C[C@@H](C(=O)CO)N LEX (3s)-3-amino-1-hydroxy-5-methylhexan-2-one +CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F LEY n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl LEZ ~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine +Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C LF0 (2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C LF1 n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C LF2 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid +CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F LF4 n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1 LF6 {(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol +[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O LF7 2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne +Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C LF8 (2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid +Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4 LF9 (2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid +CCCCCCCCCCCCCCCCCCCC LFA eicosane +[H]/N=C(\c1cc2cccc(c2s1)OC)/N LFB 7-methoxy-1-benzothiophene-2-carboximidamide +C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O LFC 6-deoxy-l-galactonic acid +c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl LFD (1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate +Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C LFE ~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C LFF (2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid +C1CCCC(CC1)Nc2nnc(o2)C3CC3 LFG n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine +C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] LFH dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide +CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3 LFJ 1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one +c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O LFK 3-(3-hydroxyphenyl)carbonyloxybenzoic acid +c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F LFM n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C LFN lumiflavin +CNC(=O)c1cn(c2c1cccc2)C LFO n,1-dimethyl-1h-indole-3-carboxamide +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl LFP 5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N LFQ 5-methyl-4-phenyl-thiophene-2-carboximidamide +C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O LFR beta-l-fructofuranose +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F LFS (1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl LFT (1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate +c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl LFV n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I LFW (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O LFX (3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +CCn1cc(nc1)C(=O)NCc2ccc(cc2)F LFY 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide +c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F LFZ 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N LG l-guanosine-5'-monophosphate +COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6 LG0 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F LG1 3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium +Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C LG2 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid +c1cnc(nc1N)N LG3 pyrimidine-2,4-diamine +Cc1ccc(nc1)N LG4 5-methylpyridin-2-amine +CN1CC=CC(=C1)N LG5 1-methyl-1,6-dihydropyridin-3-amine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O LG6 l-guluronic acid 6-phosphate +c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N LG7 4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile +C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6 LG8 3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O LG9 (1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol +c1cnc(nc1)N LGA pyrimidin-2-amine +Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O LGB 2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O LGC d-glucono-1,5-lactone +c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F LGD 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one +Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN LGE methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate +COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4 LGF 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C LGG n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] LGH [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F LGJ n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O LGK 6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O LGL 1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7 LGM 3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O LGN n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N LGP n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate +c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N LGQ 6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine +CC(=O)N(C)c1ccccc1C(=O)O LGR 2-[acetyl(methyl)amino]benzoic acid +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O LGS (3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O LGT l-glucaric acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O LGU alpha-l-gulopyranuronic acid +c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5 LGV n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide +c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGW n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGX n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N LGY (e)-n~6~-(4-oxobutylidene)-l-lysine +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6 LGZ carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester +[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N LH2 4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide +COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC LH3 methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate +c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7 LH4 5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N LH5 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F LH7 1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N LH8 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide +CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O LH9 [(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N LHA doubly functionalized paromomycin pm-ii-162 +COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHB 5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one +C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N LHC (2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid +COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHD 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium +CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O LHE n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline +c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br LHF 5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC LHG 1,2-dipalmitoyl-phosphatidyl-glycerole +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC LHH [(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C LHI [(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate +Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5 LHJ n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O LHK (2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C LHL 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F LHM n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O LHO 2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione +CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C LHP (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O LHQ ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate +CC(=O)Nc1ccc2cn[nH]c2c1 LHR n-(1h-indazol-6-yl)acetamide +COCc1nc(no1)C(=O)NCc2ccc(cc2)F LHS n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O LHT hydrolysed ertapenem +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LHU l-uridine-5'-monophosphate +CC(C)[C@@H](C(=O)O)O LHV (2s)-2-hydroxy-3-methylbutanoic acid +O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O LHW mo(10)-o(35) cluster +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO LHY l-[(n-hydroxyamino)carbonyl]phenylalanine +Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C LHZ (6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one +[Li+] LI lithium ion +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC LI0 4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C LI1 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol +c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5 LI2 3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide +c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4 LI3 3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide +c1ccc2c(c1)cccc2COc3cccnc3N LI4 3-(1-naphthylmethoxy)pyridin-2-amine +CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O LI5 2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate +CN1c2ccccc2C(=C(C1=O)O)O LI6 3,4-dihydroxy-1-methylquinolin-2(1h)-one +c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2 LI7 (3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one +CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br LI8 n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide +C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F LI9 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one +COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F LIA (4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl LIB 3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl LIC 3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl LID 8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium +CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F LIE 2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine +COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F LIF n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 LIG 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4 LIH 6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC LII (z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3 LIJ benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate +CCCCC(=C)CCC(=C)CC(=O)O LIK 3,6-bis(methylene)decanoic acid +CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC LIL 2-tridecanoyloxy-pentadecanoic acid +CCCCCCCCCCCCC(=O)CC(=O)O LIM 3-oxo-pentadecanoic acid +CC(=O)CC(=O)O LIN 3-oxo-butyric acid +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC LIO [1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline +[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O LIP l-myo-inositol-1-phosphate +CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3 LIQ n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide +CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O LIR 2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium +C1[C@@H](O1)C[C@@H](C(=O)O)N LIS (2s,4s)-2-amino-4,5-epoxipentanoic acid +c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-] LIT {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid +CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C LIU n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N LIV (2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6 LIW 4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC LIX n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC LIY 6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine +c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO LIZ n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine +Cc1cc(cc(c1O)C)\C=C\c2ccccc2 LJ1 2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br LJ2 2,6-dibromo-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)c2cc(c(c(c2)Br)O)Br LJ3 3,5-dibromobiphenyl-4-ol +c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br LJ4 2,6-dibromo-4-phenoxyphenol +c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br LJ5 n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C LJ6 (2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide +CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F LJ7 n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide +C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O LJ8 (2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid +CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4 LJ9 3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole +CC(=O)Nc1cccc(c1)NC(=O)N LJA n-[3-(carbamoylamino)phenyl]acetamide +O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O LJB mo(8)-o(26) cluster +Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl LJD n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F LJE n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F LJF n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide +CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N LJG n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide] +c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N LJH n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide) +Cc1nnc(o1)NC2CCCCCC2 LJJ n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine +CCC(C)(C)NC(=O)c1cc(n[nH]1)C LJK 3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide +CCc1cnc(s1)C(=O)NCc2ccc(cc2)F LJM 5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide +CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LJN [(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C LJP n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide +CNS(=O)(=O)CC1CCCCC1 LJR 1-cyclohexyl-n-methylmethanesulfonamide +CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O LJS (2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid +COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl LJT 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol +Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N LJV 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile +[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N LJW 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl LJY 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile +c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2 LJZ 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide] +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC LK0 methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LK1 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK2 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid +CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK3 n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid +c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N LK4 n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O LK5 (1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2 LK6 n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide +CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC LK7 (1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F LK8 (2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O LKA 5-thio-alpha-d-mannopyranosylamine +c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N LKB ~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O LKC 4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one +CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl LKD 3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] LKE 2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC LKF 4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine +c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O LKG 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol +c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O LKH 4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid +c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O LKJ (2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid +CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O LKK 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid +CN(CCO)c1c(cc(cn1)Cl)F LKL 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LKM n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O LKP trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C LKQ ~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide +[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O LKS n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine +c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4 LKT 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile +Cc1ccc(cc1O)NC(=O)c2cccc(c2)F LKU 3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide +CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O LKW 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid +Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 LKY 3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide +CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O LKZ 3,5,7,9,11-pentakis(oxidanylidene)dodecanal +c1ccc(c(c1)OC(F)F)S(=O)(=O)N LL0 2-(difluoromethoxy)benzene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)c3ccncc3 LL1 3-pyridin-4-yl-1h-indazole +c1ccc(cc1)Cc2cnc(s2)N LL2 5-benzyl-1,3-thiazol-2-amine +c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 LL3 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone +CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 LL4 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N LL5 (2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 LL7 (2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC LL8 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +COc1ccc(cc1Cl)CNCCS(=O)(=O)O LL9 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)C[C@@H](C(=O)O)O LLA l-2-hydroxy-3-phenyl-propionic acid +CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3 LLD 2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate +CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O LLE (2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O LLF (4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)cccc2CC(=O)OCCN LLG 2-aminoethyl naphthalen-1-ylacetate +[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O LLH (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid +COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LLI (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2 LLJ 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene +C/C=C/C(=O)c1ccc2cc(ccc2c1)OC LLK (2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O LLL (2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol +C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O LLM laulimalide +c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO LLN (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N LLO n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O LLP (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C([C@@H](CS(=O)(=O)O)O)O LLQ (2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid +Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4 LLS (3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O LLT l-deoxythymidine +C[C@@H](C(=O)O)Oc1ccccc1F LLU (2s)-2-(2-fluorophenoxy)propanoic acid +c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N LLX n-(4-aminobiphenyl-3-yl)benzamide +C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N LLY nz-(dicarboxymethyl)lysine +C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N LLZ n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO LM2 4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one +CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4 LM3 n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine +CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4 LM4 n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine +C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O LM5 (3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide +CCn1c(ccn1)CNC LM6 1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine +c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O LM7 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione +CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O LM8 (5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC LMA lankamycin +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O LMB leptomycin b, bound form +C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C LMC (2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal +CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMD tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C[C@H](CC(=O)O)[C@@H](C(=O)O)N LME (2s,3r)-2-azanyl-3-methyl-pentanedioic acid +CNC(=S)NCCCC[C@@H](C(=O)O)N LMF nz(n-methyl thioformamide) lysine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC LMG 1,2-distearoyl-monogalactosyl-diglyceride +C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O LMH glucosyl-dolichol phosphate +CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C LMJ (5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O LMK trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium +CC(C)CC(C(=O)O)C(=O)O LML isobutyl malonic acid +Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F LMM n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O LMN lauryl maltose neopentyl glycol +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O LMO dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C LMP (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +C[C@@H](CC(=O)N)[C@@H](C(=O)O)N LMQ (3s)-3-methyl-l-glutamine +C([C@@H](C(=O)O)O)C(=O)O LMR (2s)-2-hydroxybutanedioic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N LMS [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMT dodecyl-beta-d-maltoside +CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMU dodecyl-alpha-d-maltoside +CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4 LMV (2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CCN(CCO)c1ccc(cc1)N LMW 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol +Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F LMY ~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O LMZ 5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C LN0 methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose +C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O LN1 (3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine +CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N LN4 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea +[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N LN5 n5-(1-iminopropyl)-l-ornithine +[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N LN6 n~5~-[(1e)-pentanimidoyl]-l-ornithine +CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N LN7 n~5~-[(1s)-1-aminopentyl]-l-ornithine +C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl LN8 kiteplatin +CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-] LNA (9e,12z)-10-nitrooctadeca-9,12-dienoic acid +CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-] LNB (9z,12e)-12-nitrooctadeca-9,12-dienoic acid +c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O LNC (3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide +c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O LND 4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium +CCNC(=O)[C@H](CC(C)C)N LNE n-ethyl-l-leucinamide +CC(C)CCCCCCC/C=C\CC(=O)O LNG delta-3isotetradecenoic acid +CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 LNH 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid +COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N LNJ 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine +CCCCC LNK pentane +CCC=CCC=CC\C=C/CCCCCCCC(=O)O LNL alpha-linolenic acid +CC(C)C[C@@H](C(=O)NC)N LNM n-methyl-l-leucinamide +c1ccc(cc1)c2cc(ccc2O)CC(=O)O LNN (6-hydroxybiphenyl-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NO)N LNO l-leucyl-hydroxylamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5 LNP (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol +CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N LNQ 3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione +c1cc(c(cc1[C@H](CN)O)O)O LNR l-norepinephrine +CNC(=O)c1cccc(n1)C(=O)O LNS 6-(methylcarbamoyl)pyridine-2-carboxylic acid +C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O LNT n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O LNV 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNW 2,2'-biphenyl-3,5-diyldiacetic acid +c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNX 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid +c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O LNY 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC LNZ 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide +c1cc(ccc1CN)NC(=O)C(=O)O LO1 [[4-(aminomethyl)phenyl]amino]oxo-acetic acid, +CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O LO2 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC LO3 (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one +CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O LO4 ciglitazone +c1cc2c(cc1CNC[C@H]3CCCO3)OCO2 LO5 1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F LO6 2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one +CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 LO7 mitoglitazone +C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 LO8 (2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C LOA (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid +C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O LOB lobeline +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LOC n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5 LOD (3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid +C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3 LOE 1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine +c1ccc(cc1)C[C@@H](C(=O)O)O LOF 3-phenyl-lactic acid +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O LOG n-acetylglucosaminono-1,5-lactone (z)-oxime +C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O LOH 3,4-dihydroxylysine +Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C LOI 2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4 LOJ (3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid +COC(=O)Nc1cccc(c1)NC(=O)OC LOK methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate +CC(C)C[C@@H](C(O)O)N LOL (2s)-2-amino-4-methylpentane-1,1-diol +c1cscn1 LOM thiazole +CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LON (7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC LOP (1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +Cc1ccc(cc1)N2C(=O)CCC2=O LOQ 1-(4-methylphenyl)pyrrolidine-2,5-dione +c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N LOR loracabef (open form) +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 LOS lambda-bis(2,2'-bipyridine)imidazole osmium (ii) +c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide +C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N LOU 3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine +CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N LOV 5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid +C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N LOW (5~{s},7~{r})-3-azanyladamantan-1-ol +C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O LOX (2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol +CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O LOY 5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN LOZ 5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O LP0 (7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP1 4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP2 n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LP3 (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP4 2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP5 (r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate +C1CCN(CC1)CCCC[C@@H](C(=O)O)N LP6 6-piperidin-1-yl-l-norleucine +CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O LP7 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate +c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O LP8 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one +CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O LP9 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium +C1CSS[C@@H]1CCCCC(=O)O LPA lipoic acid +C1CSS[C@H]1CCCCC(=O)O LPB 5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LPC [1-myristoyl-glycerol-3-yl]phosphonylcholine +C1C[C@H](NC1)C(=O)N LPD l-prolinamide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LPE 1-o-octadecyl-sn-glycero-3-phosphocholine +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C LPF 1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone) +C#C[C@@H](C(=O)O)N LPG (2s)-2-aminobut-3-ynoic acid +C#CC[C@@H](C(=O)O)N LPH l-propargylglycine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O LPI n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine +S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5 LPJ fe(6)-s(7) cluster +C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O LPK l-psicose +CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O LPL leu-hydroxyethylene-leu +C(CCC(=O)N)C[C@H](CCS)S LPM 6,8-dimercapto-octanoic acid amide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl LPN (3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl LPO (3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC LPP 2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl LPQ (3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O LPR [n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline +CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O LPS o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine +C1CCC(CC1)[NH2][Pt+2][NH3] LPT cis-(ammine)(cyclohexylamine)platinum(ii) complex +CS(=O)(=O)N1CCC(CC1)O LPU 1-(methanesulfonyl)piperidin-4-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO LPW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O LPX (2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate +CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O LPY (2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate +Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C LPZ 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone +c1cc(ccc1C(=O)N)C(=O)O LQ2 4-aminocarbonylbenzoic acid +C1=CC(=O)N=CC1OC(F)F LQ3 (5s)-5-(difluoromethoxy)pyridin-2(5h)-one +COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O LQ4 piperlongumine +CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N LQ5 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea +Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3 LQ7 n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO LQ8 (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid +[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N LQA 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile +Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C LQB 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC LQD (3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine +CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC LQE (3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline +c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2 LQF 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile +c1cc(oc1)CNc2c(ccc3n2cnn3)C#N LQG 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile +c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F LQH 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline +CC1CCN(CC1)C(=O)c2cc3ccccc3o2 LQI (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N LQJ 3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO LQK (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide +c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH] LQN 2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide +C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F LQP 2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one +CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C LQQ 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N LQT 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2 LQV (2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH] LQW ~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LQY n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide +CCN(CC)CC(=O)Nc1c(cccc1C)C LQZ 2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide +c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br LR1 (1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol +c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH] LR2 ~{n}-pyridin-2-yl-2-selanyl-benzamide +c1cc(ccc1C(=O)N)C(F)(F)F LR5 4-(trifluoromethyl)benzamide +C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O LR7 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1cc(ncc1C(=O)N)N2CCOCC2 LR8 6-morpholin-4-ylpyridine-3-carboxamide +CCN(C)C(=O)c1cccc(c1)N LR9 3-amino-n-ethyl-n-methylbenzamide +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 LRB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O LRD 2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid +Cc1c(c(sn1)N(C)CC(=O)N)C#N LRF n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3 LRG (2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid +C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O LRH 6-deoxy-beta-l-fructofuranose +c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3 LRI 6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine +C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N LRK (2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O LRM 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium +Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O LRO 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O LRP 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F LRQ bridged tetracyclic indole +c1ccc(cc1)CCCC(=O)N2CCOCC2 LRR 1-(morpholin-4-yl)-4-phenylbutan-1-one +Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6 LRS n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37 LRU lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii) +C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C LRV (8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid +c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O LRW (~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O LRY n-acetylmannosamine-6-phosphate +[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LRZ methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O LS1 n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O LS2 n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide +c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2 LS3 3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2 LS4 4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2 LS5 3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole +c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO LS6 (2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide +CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C LS7 n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N LS8 4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide +c1ccc2c(c1)C(=O)NS2(=O)=O LSA 1,2-benzisothiazol-3(2h)-one 1,1-dioxide +CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C LSB (4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LSC (4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O LSD lasalocid a +C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O LSE 2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside +CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO LSG 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O LSH [(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O LSI ruthenocenyl-7-aminodesacetoxycephalosporanic acid +CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C LSJ n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide +[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LSK methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1CNCc2ccsc2)C(=O)NO LSL n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide +CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LSM dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside +CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl LSN [2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol +C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LSO (z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine +CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O LSP (7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide +c1cc(cc(c1)Cl)CCC(=O)O LSQ 3-(3-chlorophenyl)propanoic acid +C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C LSR 1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N LSS 5'-o-(l-leucylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O LST [(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N LSU 5'-o-(n-(l-leucyl)-sulfamoyl)uridine +C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO LSV n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O LSW n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan +CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O LSX [(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid +CN(C)C(=O)NNC(=O)N(C)C LSY n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C LSZ ~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide +c1ccc(cc1)CCCCl LT1 (3-chloropropyl)benzene +C1[C@H](C2=CC(=O)C(=O)C=C2N1)O LT2 (3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione +c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N LT3 (1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine +c1cc(c(cc1[C@H](CN)O)O)O LT4 norepinephrine +c1cc(cc(c1)C(F)(F)F)[C@H](CN)O LT5 (1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol +CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO LT6 2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide +Cc1ccc(cc1)c2nc(on2)CNC(C)C LT7 ~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine +c1ccc(c(c1)C(=O)O)n2cccn2 LT8 2-pyrazol-1-ylbenzoic acid +CCOC(=O)C[C@@H]([C@H](CCCCN)N)O LTA 4,8-diamino-3-hydroxy-octanoic acid ethyl ester +CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O LTB leukotriene b4 +CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC LTC (2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N LTD (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N LTE 1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine +CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO LTF (4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide +C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O LTG l-tagatose +C([C@@H]([C@H](C(=O)O)O)O)O LTH (2r,3s)-2,3,4-trihydroxybutanoic acid +c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N LTI (5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide +C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F LTJ 4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide +Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl LTK ~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide +CCC(=O)CCC(C)(C)O LTL 6-hydroxy-6-methyl-heptan-3-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O LTM n-acetyl gluconolactam +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N LTN l-tryptophanamide +c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO LTO (2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O LTP 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N LTQ (4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N LTR l-tryptophan +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F LTS 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine +C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N LTT 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O LTV 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate +CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6 LTW ~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LTX (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5 LTY n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C LTZ (5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole +[Lu+3] LU lutetium (iii) ion +CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N LU0 sulphamoil leucine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O LU1 4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one +Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 LU5 ~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N LU7 n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CCC[C@H]1C(=C(CO1)CO)C(=O)O LUB 4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N LUD n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C LUE ~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine +CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C LUF (5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN LUG n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O LUH [4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide +CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO LUJ (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O LUK [4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 LUM lumichrome +c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F LUN (5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone +Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC LUO n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4 LUP 5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide +C(CS(=O)(=O)O)NCC(=O)N LUQ n-(2-acetamido)-2-aminoethanesulfonic acid +Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F LUR {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid +CCC1CCC(CC1)N2CCOCC2 LUS 4-(4-ethylcyclohexyl)morpholine +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C LUT (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5 LUV (3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide +c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4 LUW 4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C LUX (3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CCNc2[nH]c3ccccc3n2 LUY ~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine +c1cnc2c(n1)C(=O)NC(=O)N2 LUZ pteridine-2,4(1h,3h)-dione +c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F LV1 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea +CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LV2 [(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(c(c1)NC(=S)N)OC(F)(F)F LV4 1-[2-(trifluoromethyloxy)phenyl]thiourea +c1cc(c(cc1N)Cl)Cl LV5 3,4-dichloroaniline +CC(=O)Nc1ccccc1C(=O)NN LV7 ~{n}-[2-(aminocarbamoyl)phenyl]ethanamide +CC(=O)NC[C@@H](C(=O)O)N LV8 (2~{s})-3-acetamido-2-azanyl-propanoic acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C LVA (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid +Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O LVB 3-deoxytolcapone +c1ccc(cc1)CONC(=O)N LVD 1-phenylmethoxyurea +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] LVE 3-o-methyltolcapone +C=C[C@@H](C(=O)O)N LVG l-vinylglycine +C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F LVH (~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid +CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl LVJ 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide +C[C@H](C=O)[C@@H](C(=O)O)N LVN (3s)-4-oxo-l-valine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O LVO 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(c(c1)NNC(=O)c2ccno2)F LVP ~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide +C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O LVQ octa-anionic calixarene +CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-] LVS 4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone +c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O LVT octa-anionic calix[4]arene +Cc1ccc(cc1)CN2CCS(=O)(=O)CC2 LVV 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide +C=CCOC[C@H](C[SeH])O LVW (2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol +c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O LVY s-lenalidomide +CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O LVZ propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +c1cc(sc1)C=O LW1 thiophene-2-carbaldehyde +CC(=O)[C@H]([C@@H](c1cccs1)O)O LW2 (3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one +CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 LW4 3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione +C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O LW5 4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide +c1ccc(cc1)CCC2=NCCc3c2cccc3 LW7 1-(2-phenylethyl)-3,4-dihydroisoquinoline +C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O LW8 trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium +CCCCC(CC)CC LW9 3-ethylheptane +c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2 LWA (2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC LWB 4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole +c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3 LWD ~{n}-quinolin-6-ylbenzamide +c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl LWG 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5 LWH 4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +c1ccc(c(c1)C[C@@H](C(=O)O)N)CN LWI 2-(aminomethyl)-l-phenylalanine +Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N LWJ [5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O LWM [(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC LWN methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate +C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C LWQ ~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide +CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C LWS 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one +c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl LWT 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide +c1ccc(c(c1)N)N2CCOCC2 LWV 2-morpholin-4-ylaniline +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3 LWW n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +C[P@](=O)(N1CCC[C@H]1C(=O)O)O LWY 1-[(r)-hydroxy(methyl)phosphoryl]-l-proline +c1c(nn[nH]1)CNC(=O)CC(S)S LWZ 3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide +C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N LX0 4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine +C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O LX1 l-xylulose 5-phosphate +c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5 LX2 [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid +CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O LX3 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol +C1CCC(C1)C(=O)N2CCNC(=O)C2 LX4 4-cyclopentylcarbonylpiperazin-2-one +C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O LX5 [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate +c1cc(ccc1NC(=S)N)OC(F)(F)F LX7 1-[4-(trifluoromethyloxy)phenyl]thiourea +CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C LX8 2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate +c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5 LX9 6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one +COCC(=O)NCc1[nH]c2ccccc2n1 LXA ~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide +CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O LXB 2-acetamido-2-deoxy-beta-d-gulopyranose +C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O LXC beta-l-xylopyranose +C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+] LXE [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium +CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4 LXG 8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccccc1)C(=O)OC LXH methyl (2~{s})-2-phenylpropanoate +c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2 LXJ (3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one +CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C LXL 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea +c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO LXM [(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone +C1(=O)C(=O)NC(=O)NC1=O LXN alloxan +C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O LXP l-xylitol 5-phosphate +CC(=O)N1CC[C@H](C1)C(=O)O LXQ (3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid +CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3 LXS 3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N LXT (2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide +[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br LXV 2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N LXW (2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide +c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5 LXX 6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline +C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F LXY (4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O LXZ 2-acetamido-2-deoxy-alpha-d-idopyranose +C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O LY0 (2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1cc(c(c2c1CCCNC2)Cl)Cl LY1 8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4 LY2 2-morpholin-4-yl-7-phenyl-4h-chromen-4-one +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O LY3 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid +CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O LY4 (9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione +C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O LY5 (3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N LY7 n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +C[C@H](c1ccccc1)C(=O)OC LY8 methyl (2~{r})-2-phenylpropanoate +[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O LY9 l-arabinaric acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O LYA 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O LYB 2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid +CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C LYC lycopene +CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N LYD 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid +c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O LYE bromophenol blue +C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N LYF (2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O LYG 8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C(CN)/C=C/[C@@H](C(=O)O)N LYH 3,4 ene-lysine +C(CCN)C[C@@H](CO)N LYJ (2s)-2,6-diaminohexan-1-ol +C(CCN)C[C@@H](C(O)O)N LYK (2s)-2,6-diaminohexane-1,1-diol +Cc1cccc(c1O)CC=C LYL 2-allyl-6-methyl-phenol +CC(=O)[C@H](CCCCN)N LYM deoxy-methyl-lysine +C(CC[NH3+])C[C@@H](C(=O)N)N LYN 2,6-diamino-hexanoic acid amide +C(CN)C(C[C@@H](C(=O)O)N)O LYO 4-hydroxy-lysine +CCCN(C)CCCCC(C(=O)O)N LYP n~6~-methyl-n~6~-propyl-l-lysine +c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N LYQ (3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C LYR n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine +C(CC[NH3+])C[C@@H](C(=O)O)N LYS lysine +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 l-lysine c-terminal deprotonated fragment +C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H l-lysine c-terminal protonated fragment +C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 l-lysine-c-terminal protonated fragment/with side chain deprotonated nz +C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH l-lysine free neutral +C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 l-lysine-free neutral/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW l-lysine free zwitterion +C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 l-lysine-free zwitterion/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL l-lysine - linking embedded fragment +C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 l-lysine-linking embedded fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 l-lysine n-terminal protonated fragment +C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 l-lysine-n-terminal protonated fragment/with side chain deprotonated nz +CCCCN LYT butylamine +CC(C)CCCNCCCC[C@@H](C(=O)O)N LYU n~6~-(4-methylpentyl)-l-lysine +C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N LYV o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide +CCCC[C@@H](C=O)N LYW 1-amino-1-carbonyl pentane +C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O LYX n''-(2-coenzyme a)-propanoyl-lysine +C(C[C@@H](C(=O)O)N)[C@H](CN)O LYZ 5-hydroxylysine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O LZ0 [1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside +c1ccc2c(c1)cn[nH]2 LZ1 1h-indazole +c1cc2c(cccc2S(=O)(=O)N)c(c1)O LZ2 5-hydroxynaphthalene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N LZ3 n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide +c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N LZ4 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide +c1ccc(cc1)NC(=O)c2cc[nH]n2 LZ5 n-phenyl-1h-pyrazole-3-carboxamide +c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl LZ6 l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine +CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F LZ7 4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F LZ8 n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F LZ9 {[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F LZA {[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CC(C)Nc1cc(nc2n1ncc2C#N)Cl LZB 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N LZC 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F LZD 4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl LZE 4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O LZF 5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl LZG 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl LZH 5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl LZI (4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide +c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br LZJ 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC LZK 6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N LZL 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine +c1cnc2c(cnn2c1)C#N LZM pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5 LZP 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione} +c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O LZQ 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid +COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6 LZR 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one +CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC LZS n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC LZT n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide +CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC LZU 10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3 LZV ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate +c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O LZW (4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CN1Cc2cc(ccc2NCCC1=O)F LZY 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O LZZ (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one +CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 M00 n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN M01 1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N M02 1-(9h-purin-6-yl)piperidin-4-amine +c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M03 1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M04 1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl M05 4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N M06 3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile +COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M07 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M08 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-] M09 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N M0A 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F M0B 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N M0D 2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O M0E moenomycin +C([C@@H](C(=O)O)N)SCO M0H s-(hydroxymethyl)-l-cysteine +C[C@@H](CNC(=O)Nc1ccccc1)O M0J n-[(2s)-2-hydroxypropyl]-n'-phenylurea +c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2 M0K 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid +CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3 M0M (8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one +c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O M0N (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) +CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C M0P 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione +CNc1ccnc2c1cncc2 M0Q ~{n}-methyl-1,6-naphthyridin-4-amine +CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C M0S 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C M0T 1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide +CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C M0V 7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +CNc1c2ccccc2ncn1 M0W ~{n}-methylquinazolin-4-amine +c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N M0Y 4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide +COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N M0Z 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-] M10 (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi) +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N M11 n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine +CC(C)CCCCCCCCC(=O)O M12 10-methylundecanoic acid +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N M14 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I M15 {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N M16 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O M17 methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl M18 {(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate +C[n+]1cnc2c(c1N)nc[nH]2 M1A 6-amino-1-methylpurine +[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N M1B 2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide +CCCC[C@@H](C(CNC1CC1)(O)O)N M1C (3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol +CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C M1D 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid +CNc1c2c(ccs2)ncn1 M1E ~{n}-methylthieno[3,2-d]pyrimidin-4-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O M1F alpha-maltose 1-phosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O M1G 3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate +CNc1ccnc2c1CCCC2 M1H ~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine +C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N M1J 4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine +CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O M1L 2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid +CS(=O)(=O)SCSS(=O)(=O)C M1M 1,1-methanediyl bismethanethiosulfonate +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O M1N (1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O M1P 1-o-phosphono-alpha-d-mannopyranose +C1CCC2=NC(=O)NC(=O)C2C1 M1Q 5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 M1R 1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O M1S (5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione +COCC(=O)CCCC(O)O M1T 6,6-dihydroxy-1-methoxyhexan-2-one +CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C M1V mesobiliverdin ix(alpha) +COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3 M1W 3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F M1X {(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O M1Y (1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol +C1CCN(C1)C2=NC(=O)NC(=O)C2 M1Z 6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione +C\C=C/C=C/CCCCCCCCCO M21 (10e,12z)-tetradeca-10,12-dien-1-ol +c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl M22 3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br M23 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F M24 5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)NCCc1ccc(cc1)S(=O)(=O)N M25 n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide +[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-] M27 bis(mu2-oxo)-octaoxo-dimolybdenum (vi) +c1cc(ccc1CCC(=O)O)S(=O)(=O)N M28 3-[4-(aminosulfonyl)phenyl]propanoic acid +CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N M29 ethyl 3-[4-(aminosulfonyl)phenyl]propanoate +CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O M2A [(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +c1ccc(cc1)n2c(c(cn2)C(=O)N)N M2B 5-amino-1-phenylpyrazole-4-carboxamide +CSCC[C@@H](C(c1ccccn1)(O)O)N M2C (2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol +C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C M2D madumycin ii +c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl M2E (4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F M2F 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside +CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 M2G n2-dimethylguanosine-5'-monophosphate +Cc1cc([nH]c1C#N)C M2H 3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile +C1CCc2c(c([nH]n2)C(=O)O)C1 M2K 4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid +CN(C)CCSC[C@@H](C(=O)O)N M2L (2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid +COCCOCCOC M2M 1-methoxy-2-(2-methoxyethoxy)ethane +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N M2N 5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O M2P d-mannitol-1,6-diphosphate +CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N M2S 3-{[(r)-methylsulfinyl]methyl}-l-valine +CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M2T 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O M2V [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC M2W delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O M2Y [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4 M2Z 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine +C1CCC(CC1)NCC(=O)O M30 n-cyclohexylglycine +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl M31 n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M32 n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M33 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M34 n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F M35 1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C M36 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid +c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N M37 1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O M38 4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate +Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F M39 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N M3A 5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide +COCCN[C@@H](N)NCCCCN M3B (1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine +CSCC[C@@H](C(c1nccs1)(O)O)N M3C (2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol +c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5 M3D 7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=O)N2 M3E 6-phenyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F M3F 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C2=NCCN2 M3H 2-phenyl-4,5-dihydro-1~{h}-imidazole +Cc1cc(no1)N M3I 5-methyl-1,2-oxazol-3-amine +c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br M3J 6-bromo-n~2~-phenylquinazoline-2,4-diamine +c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F M3K 2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide +C[N+](C)(C)CCCC[C@@H](C(=O)O)N M3L n-trimethyllysine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O M3M 3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO M3N 4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole +CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O M3O 3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate) +CC(=O)\C=C\C=C(/C(=O)O)\O M3P (2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid +c1cc2cccnc2c(c1)CP(=O)(O)O M3Q [(quinolin-8-yl)methyl]phosphonic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O M3R methyl phosphonated l-arginine +Cc1cccc(c1OC(=O)C)C(=O)O M3S 2-(acetyloxy)-3-methylbenzoic acid +Cc1cccc(c1)S M3T 3-methylbenzenethiol +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O M3V {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C M3W 8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N M3Y 5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide +CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2 M3Z 6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O M40 (1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M41 n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CC1=CC(=O)Nc2c1ccc3c2OCO3 M42 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O M43 (17[2]s)-17[2]-methylthio-coenzyme f43 +CC(C)NP(=O)(NC(C)C)O M44 n,n'-bis(1-methylethyl)phosphorodiamidic acid +c1nc([nH]n1)N[C@H]2CCCN2 M45 ~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine +c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N M46 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine +c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N M48 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine +CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C M49 n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide +Cc1cc(c2ccccc2n1)N M4A 2-methylquinolin-4-amine +CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-] M4B 6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC M4C n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate) +CCCCCc1cc2c(cccc2nc1N)CCCCN M4D 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine +CNC(=O)c1c2ccccc2[nH]n1 M4E ~{n}-methyl-2~{h}-indazole-3-carboxamide +c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O M4G [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O M4H 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F M4J n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide +c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3 M4K 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N M4M 1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid +CNC(=O)c1cc(n[nH]1)c2ccccc2 M4N ~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O M4O (2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid +c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N M4P [4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 M4Q 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N M4R 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile +COc1ccc(cc1)S(=O)(=O)N M4S 4-methoxybenzenesulfonamide +CC(=O)Nc1cccnc1 M4T ~{n}-pyridin-3-ylethanamide +c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N M4V 2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C M4Y parthenolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N M4Z (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 M51 {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone +C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br M52 n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide +c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN M54 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one +c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O M55 benzyl alpha-d-glucopyranuronate +c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N M57 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid +c1cc(cnc1)[C@H](N)S M58 (~{r})-azanyl(pyridin-3-yl)methanethiol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N M59 [(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol +C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O M5A (2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid +c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2 M5B ~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O M5C dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate +C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N M5D 5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile +c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O M5E (~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol +C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F M5F 1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c([nH]n2)C3NCCN3 M5H 3-imidazolidin-2-yl-2~{h}-indazole +CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F M5J 1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one +Cc1cc(nc2c1cccc2)N M5K 4-methylquinolin-2-amine +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O M5M 2'-(n-acetamide)-cytidine-5'-monophosphate +CC(C)C1=NC(=O)N=C2C1CCCC2 M5N 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one +c1ccc(cc1)CCC[C@H](CS)C(=O)O M5P (s)-2-(mercaptomethyl)-5-phenylpentanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O M5T 5-methyluridine triphosphate +c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N M5V 4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile +CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N M5W 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide +c1cc(c(cc1F)F)CN M5Y 1-(2,4-difluorophenyl)methanamine +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O M5Z (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2 M60 (4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid +CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 M61 n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide +c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N M62 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine +C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N M64 (2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid +CCOC(=O)CCCCCCn1ccnc1 M65 ethyl 7-imidazol-1-ylheptanoate +CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C M66 (1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N M67 (2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide +c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N M68 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine +[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6A (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6B (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O M6D 6-o-phosphono-beta-d-mannopyranose +[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6E (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC M6F (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6G (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate +c1ccc(cc1)CC2NCCN2 M6H 2-(phenylmethyl)imidazolidine +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N M6J (2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F M6M n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CC1=Nc2cnccc2C(=O)N1 M6N 2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] M6O lauric acid functionalized hexamolybdoaluminate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O M6P 6-o-phosphono-alpha-d-mannopyranose +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N M6Q (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O M6R 5-amino-5-deoxy-1-o-phosphono-d-mannitol +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N M6S (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-] M6T 6'-methyl-thiamin diphosphate +[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6V (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate +CNC(=O)[C@H]1CCNC1 M6W (3~{s})-~{n}-methylpyrrolidine-3-carboxamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F M6Y n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CNC(=O)c1c2cc(ccc2[nH]n1)I M6Z 5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide +CO[C@H](c1ccccc1)[C@H](C(=O)O)O M72 (2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC M73 methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate +c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O M74 (2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid +c1c(nc[nH]1)S(=O)(=O)NC2CC2 M75 ~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide +c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F M76 n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 M77 5-(1,4-diazepan-1-sulfonyl)isoquinoline +Cc1c([nH]c2c1cc(cc2)C(=O)NC)C M78 ~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide +CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O M7A 7-methyl, adenosine-5'-monophosphate +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O M7B 7-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M7C n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide +C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N M7D n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C M7E 1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3 +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O M7G 7n-methyl-8-hydroguanosine-5'-diphosphate +CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC M7H 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone +c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N M7K 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine +CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O M7M n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate) +CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3 M7N ~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O M7O 2-[(phenylmethyl)carbamoylamino]benzoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O M7P 7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O M7R (2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O M7S (2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4 M7T ~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O M7U (2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate +CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O M7V (1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC M7W 4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide +CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C M7Y (2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl M7Z 4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3 M80 3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid +c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl M81 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I M82 4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N M83 5-(3-cyanophenyl)furan-2-carboxylic acid +c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O M84 3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid +CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M85 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC M86 2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N M87 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine +CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O M88 1-(8z-hexadecenoyl)-rac-glycerol +c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O M8A benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate +CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8B methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O M8C methyl alpha-d-galactopyranuronate +CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN M8D 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine +C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O M8E 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine +CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N M8F n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine +c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO M8G n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N M8J 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4 M8K 4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N M8M 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine +Cc1cc(ccc1NCNO)CCC(C)C M8N ~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine +C(C(=O)CC(=O)O)C(=O)C=CC(=O)O M8O 4-maleylacetoacetic acid +c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O M8P n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide +CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O M8Q 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N M8S 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N M8T 2'-fluoro-,3',3'-c-di-amp +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N M8V 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8Y methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N M8Z 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M90 (2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M91 (2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N M92 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide +CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M94 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine +c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2 M95 (2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO M96 (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6 M97 1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium +c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M98 (s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide +c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M99 (r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F M9A 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C M9B 1-alpha-hydroxy-vitamin d3 +C[C@@H](c1[nH]c(cn1)c2ccccc2F)N M9D (1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine +CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC M9E 2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC M9F (2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F M9G n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide +CNCC(=O)NCc1cccc(c1)CNC(=O)CNC M9H 2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7 M9J n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine +c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3 M9K 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid +Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C M9M 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one +Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl M9N 2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid +C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N M9P amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium +CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O M9Q ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 M9S 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole +Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC M9T 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one +C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O M9W enmetazobactam derived trans-enamine adduct. +c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F M9Y 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4 M9Z ~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +C[C@@H](C(=O)OC)N MA methyl l-alaninate +C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O MA0 (1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O MA1 1,4-dithio-alpha-d-glucopyranose +CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO MA2 4-s-methyl-4-thio-alpha-d-glucopyranose +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O MA3 methyl 4-thio-alpha-d-glucopyranoside +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA4 cyclohexyl-hexyl-beta-d-maltoside +C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA5 2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MA6 6n-dimethyladenosine-5'-monophoshate +C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MA7 1n-methyladenosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O MA8 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F MA9 (3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine +C[C@@H](C(=O)O)NC MAA n-methyl-l-alanine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O MAB mannobiose +CC(=O)O[Hg+] MAC mercury acetate ion +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C MAD 6-hydro-1-methyladenosine-5'-monophosphate +C(=C/C(=O)O)/C(=O)O MAE maleic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O MAF 2-deoxy-2-fluoro-alpha-d-mannopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O MAG methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CC(CC(=O)O)(CC(=O)O)O MAH 3-hydroxy-3-methyl-glutaric acid +C[C@H]([C@H](CCCNC(=N)N)N)O MAI deoxo-methylarginine +c1cc2c(cc1S(=O)(=O)N)CCC2 MAJ indane-5-sulfonamide +C(=O)(C(=O)O)C(=O)O MAK alpha-ketomalonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O MAL maltose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MAM 1-o-methyl-alpha-d-mannose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O MAN alpha-d-mannopyranose +C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MAO 5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N MAP magnesium-5'-adenyly-imido-triphosphate +Cc1cccc2c1NC(=NC2=O)N MAQ 2-amino-8-methylquinazolin-4(3h)-one +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O MAR 4'-epi-4'-(2-deoxyfucose)daunomycin +CN(C)S(=O)(=O)O MAS dimethylsulfamic acid +CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O MAT 2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O MAU n-methyl kirromycin +[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O MAV alpha-d-mannopyranuronic acid +C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O MAW 4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid +COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O MAX matairesinol +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F MAY methyl arachidonyl fluorophosphonate +c1cc(cc(c1)N)COC=O MAZ formic acid 3-amino-benzyl ester +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C MB0 (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl MB1 2-chloro-5-nitrobenzenesulfonamide +c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB2 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CN1CCCC1=O MB3 1-methylpyrrolidin-2-one +Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB4 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C MB5 (5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl MB6 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB7 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +C/C=C(/C)\C(=O)O MB8 (2z)-2-methylbut-2-enoic acid +Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl MB9 (4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +CC[C@H](C)CN MBA 2-methylbutylamine +Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C MBB 2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N MBC 2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide +Cc1cccc(c1O)O MBD 3-methylcatechol +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O MBE 4-nitrophenyl beta-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O MBF 2-deoxy-2-fluoro-beta-d-mannopyranose +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MBG methyl beta-d-galactopyranoside +C[N@@+](Cc1ccccc1)(CC(=O)O)N MBH (1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3 MBK ~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +CCCCCn1cc(nc1N)c2ccccc2 MBL 1-pentyl-4-phenyl-imidazol-2-amine +Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5 MBM n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide +Cc1ccccc1 MBN toluene +c1cc(ccc1C(=O)O)[Hg] MBO mercuribenzoic acid +CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N MBP 1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol +Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N MBQ 2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine +C(Br)(Br)Br MBR tribromomethane +COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC MBS r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid +CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C MBT 3,7-bis(dimethylamino)phenothiazin-5-ium +CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C MBV mesobiliverdin iv alpha +Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5 MBW 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one +C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C MBX ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide +c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O MBY (2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol +Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MBZ 1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N MC 1,2-cis-1-hydroxy-2,7-diamino-mitosene +C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MC0 (s)-methylmalonyl-coenzyme a +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C MC1 methicillin acyl-serine +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N MC2 n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC MC3 1,2-dimyristoyl-rac-glycero-3-phosphocholine +C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C MC4 2-methylacetoacetyl coa +c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F MC5 (5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O MC8 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid +C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C MC9 calcipotriol +C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MCA methylmalonyl-coenzyme a +CC=O MCB methylene carbonyl group +C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O MCD methylmalonyl(carbadethia)-coenzyme a +CCCl MCE chloroethyl group +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O MCF (8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N MCG (s)-(alpha)-methyl-4-carboxyphenylglycine +C(Cl)(Cl)Cl MCH trichloromethane +c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O MCI (2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O MCJ n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O MCK n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O MCL nz-(1-carboxyethyl)-lysine +CC1=CC(=O)Oc2c1ccc(c2)N MCM 7-amino-4-methyl-chromen-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O MCN pterin cytosine dinucleotide +C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O MCO 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid +C[C@@H]1CCN[C@H](C1)C(=O)O MCP 2-carboxy-4-methylpiperidine +CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N MCQ {(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C(C(=O)O)S MCR sulfanylacetic acid +C([C@@H](C(=O)O)N)SC(=O)CC(=O)O MCS malonyl cysteine +Cc1ccc(c(c1)O)O MCT 4-methylcatechol +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O MCU methyl 4-o-methyl-beta-d-glucopyranuronate +COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC MCV 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine +COC1=CC(=O)C=CC1=O MCW 2-methoxycyclohexa-2,5-diene-1,4-dione +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C MCX (1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O MCY 5-methyl-2'-deoxycytidine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O MCZ (1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol +C[C@H](CCN)[C@H](C(=O)O)N MD0 5-amino-d-isoleucine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N MD1 phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester +C=C=CCNCCCCNCC=C=C MD2 n,n'-bis(2,3-butadienyl)-1,4-butane-diamine +c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD3 n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C MD4 (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane +c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD5 n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine +c1cc(c(nc1)C(=O)NCC(=O)O)O MD6 n-[(3-hydroxypyridin-2-yl)carbonyl]glycine +c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N MD7 (2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N MD8 (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O MD9 magnesium deuteroporphyrin ix +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O MDA 2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC MDB (s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O MDC n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide +C(C=O)C=O MDD malonaldehyde +CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O MDE 5-mercaptoethanol-2-decenoyl-coenzyme a +COC(=O)[C@H](c1cc(cc(c1)O)O)N MDF meta, meta'-di-hydroxy-phenylalanine +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O MDG 7n-methyl-8-hydroguanosine-5'-diphosphate +C\C=C(\C(=O)O)/NC MDH n-methyldehydrobutyrine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O MDJ 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one +CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N MDK 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F MDL [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine +C(P(=O)(O)O)P(=O)(O)O MDN methylenediphosphonic acid +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N MDO {2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O MDP n-carboxyl-n-methyl-beta-muramic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O MDQ 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate) +Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O MDR 9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine +CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N MDS n-[methionyl]-n'-[adenosyl]-diaminosulfone +CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MDU 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O MDV (7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol +COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O MDW (1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +C(CCCCCS)CCCCC(=O)O MDX 11-mercaptoundecanoic acid +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O MDY (2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N MDZ n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid +C(CSCO)[C@@H](C(=O)O)N ME0 hydroxy-l-methionine +c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O ME1 5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide +CCOCCOCCOC ME2 1-ethoxy-2-(2-methoxyethoxy)ethane +CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O ME3 ruthenium-pyridocarbazole-3 +c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O ME4 3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide +c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O ME5 5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide +C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N ME6 [(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O ME7 1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione) +CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ME8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate +C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O ME9 1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione) +CN[C@@H](Cc1ccccc1)C(=O)O MEA n-methylphenylalanine +CC(=C)C MEB 2-methylprop-1-ene +CCNC(=O)OC MEC ethyl-carbamic acid methyl ester +CSCC[C@H](C(=O)O)N MED d-methionine +CS MEE methanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N MEF n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid +C[C@@H](CC(=O)O)[C@@H](C(=O)O)N MEG (2s,3s)-2-azanyl-3-methyl-pentanedioic acid +C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C MEI (2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid +C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 MEJ 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO MEK 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide +c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N MEL [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O MEM (4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +CNC(=O)C[C@@H](C(=O)O)N MEN n-methyl asparagine +O.O MEO oxygens bound to met sd +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O MEP phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester +CNC(=O)CC[C@@H](C(=O)O)N MEQ n5-methylglutamine +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O MER (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid +C1COCC[NH+]1CCS(=O)(=O)[O-] MES 2-(n-morpholino)-ethanesulfonic acid +CSCC[C@@H](C(=O)O)N MET methionine +CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 l-methionine c-terminal deprotonated fragment +CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H l-methionine c-terminal protonated fragment +CSCC[C@@H](C(=O)O)N MET_LFOH l-methionine free neutral +CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW l-methionine free zwitterion +CSCC[C@@H]([C-]=O)[NH-] MET_LL l-methionine - linking embedded fragment +CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 l-methionine n-terminal protonated fragment +COC(=O)CN MEU o-methyl-glycine +C[C@@](CCO)(CC(=O)[O-])O MEV (r)-mevalonate +CC1=Nc2ccccc2C(=O)N1 MEW 2-methylquinazolin-4(3h)-one +c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O MEX 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl MEY n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide +C/C(=C\C(=O)O)/C(=O)O MEZ (2e)-2-methylbut-2-enedioic acid +CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O MF1 [(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid +C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O MF2 cis-2,6-dimethylmorpholinooctylcarbamyleseroline +C(CSC(F)(F)F)[C@@H](C(=O)O)N MF3 2-amino-4-trifluoromethylsulfanyl-butyric acid +F[Mg-2](F)(F)F MF4 tetrafluoromagnesate(2-) +C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F MF5 1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine +CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MF7 n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +[H]/N=C(/N)\N/C(=N\[H])/N(C)C MF8 metformin +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFA alpha-l-1-methyl-fucose +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O MFB methyl beta-l-fucopyranoside +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O MFC 5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one +C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC MFD (2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl MFE ~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine +[H]/N=C/C(=C)CCc1ccc(cc1)F MFG (1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine +c1cc(ccc1C[C@@H](CNC(=O)O)N)O MFH [(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid +CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O MFJ [(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MFK decanoyl-coa +c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl MFM (e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid +c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O MFN n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine +CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N MFO [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O MFP ((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O MFQ ((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MFR 4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MFT 3-methylthymidine 5'-(dihydrogen phosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFU methyl alpha-l-fucopyranoside +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O MFV {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C1CCC(=O)C1 MFW cyclopentanone +COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O MFX 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1CNCCS(=O)(=O)O)Cl MFY 2-[(4-chlorobenzyl)amino]ethanesulfonic acid +c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl MFZ 3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol +[Mg+2] MG magnesium ion +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N MG0 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol +CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N MG1 2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate) +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F MG2 (2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide +CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N MG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MG7 7-methylguanosine +CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O MG8 n-octanoyl-n-methylglucamine +CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N MG9 2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MGA beta-methyl-d-galactoside +[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C MGB methylglyoxal bis-(guanylhydrazone) +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O MGC methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N MGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC MGE (1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate +F[Mg-](F)F MGF trifluoromagnesate +C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N MGG 2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid +COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2 MGH methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate +Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O MGI methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate +CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGJ n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGK methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MGL methyl beta-d-glucopyranoside +CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C MGM 2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +C[C@](CCC(=O)N)(C(=O)O)N MGN 2-methyl-glutamine +C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGO [[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGP 7-methyl-guanosine-5'-triphosphate +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O MGQ 7-benzyl guanine monophosphate +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3 MGR malachite green +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O MGS methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O MGT 7n-methyl-8-hydroguanosine-5'-triphosphate +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F MGV p-fluoro-7-benzyl guanine monophosphate +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O MGW methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate +[H]/N=C(/N)\NC MGX 1-methylguanidine +CNCC(=O)O MGY n-methylglycine +c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MGZ (2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C MH0 mesoheme +Cn1cc(nc1)C[C@@H](C(=O)O)N MH1 1-methyl-l-histidine +O[Mn+2] MH2 manganese ion, 1 hydroxyl coordinated +O[Mn+3] MH3 manganese ion, 1 hydroxyl coordinated +Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3 MH4 1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1ccc(s1)CNc2cccc(c2)C(=O)O MH5 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid +[H]/N=C(\CO)/C(=O)O MH6 3-hydroxy-2-iminopropanoic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC MH7 n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide +C[C@](CCCC=C)(C(=O)O)N MH8 (2s)-2-amino-2-methylhept-6-enoic acid +CCCCCCC/C=C/C=C/C(=O)O MH9 (2e,4e)-dodeca-2,4-dienoic acid +C(C(=O)N)N(CC(=O)O)CC(=O)O MHA (carbamoylmethyl-carboxymethyl-amino)-acetic acid +Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O MHB 2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS MHC 3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one +Cn1cc(c2c1cccc2)O MHD 1-methyl-1h-indol-3-ol +CC(C)(C)CCC(=O)C(=O)O MHE 5,5-dimethyl-2-oxohexanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N MHF 5,10-methenyl-6,7,8-trihydrofolic acid +CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MHG 2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate +CCCCCC[P@@](=O)(O)OC MHH methyl hydrogen (r)-hexylphosphonate +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N MHI l-ala-gamma-d-glu-meso-diaminopimelic acid +c1ccc2c(c1)cccc2S(=O)(=O)N MHK naphthalene-1-sulfonamide +CC(C)(C[C@@H](C(=O)O)NC)O MHL n-methyl-4-hydroxy-leucine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MHM [7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron +CC(C)CCCCCO MHN 6-methylheptan-1-ol +C[S@](=O)CC[C@@H](C(=O)O)N MHO s-oxymethionine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C MHQ desmosterol +CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MHR 4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +Cn1cncc1C[C@@H](C(=O)O)N MHS n1-methylated histidine +CS[C@@H]1CN2CCC1CC2 MHT (3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane +CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O MHU 4-n,n-(dimethylamino)-l-phenylalanine +C1CN[C@@H](CC1=O)C(=O)O MHV 4-oxo-l-pipecolic acid +c1cc(c(nc1)C(=O)O)O MHW 3-hydroxypicolinic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O MHY {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MHZ 5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine +CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F MI0 (3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N MI1 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N MI2 2-(2-methylphenyl)-1h-indole-5-carboximidamide +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O MI3 3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate) +C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C MI4 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5 MI5 n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl MI6 (2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C MI9 oxomolybdenum mesoporphyrin ix +CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C MIA 2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate +CC(=O)\C=C\c1cn(c2c1cccc2)C MIB (3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one +C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O MIC alpha-methylisocitric acid +[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N MID 1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O MIF (5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one +C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O MIG (2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol +c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl MIH 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C MII methicillin +c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N MIK methyl isonicotinimidate lysine +CC1=C(C=C(C(=O)N1)C#N)c2ccncc2 MIL milrinone +Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3 MIM [cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N MIN methyl-phe-pro-amino-cyclohexylglycine +Cc1cc(on1)N MIO 3-methyl-1,2-oxazol-5-amine +CC(C)OP(=O)(O)O MIP monoisopropyl ester phosphonic acid +CCO[P@](=O)(O)OC[C@@H](C(=O)O)N MIR monoethylphosphorylserine +CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N MIS monoisopropylphosphorylserine +C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C MIT amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium +c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F MIU n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide +CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC MIV mycinamicin iv +c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO MIX 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione +CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O MIY (4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide +Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C MIZ 1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O MJ1 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1cc(cc(c1)S(=O)(=O)N)C MJ2 3,5-dimethylbenzenesulfonamide +Cc1ccc(s1)CNC[C@@H](C)O MJ4 (2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +Cc1ccc(c(c1)O)Oc2ccccc2 MJ5 5-methyl-2-phenoxyphenol +c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O MJ7 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O MJ8 5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine +C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O MJA (3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid +C1CN(CCN1)CCO MJB 2-piperazin-1-ylethanol +C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MJC dolichyl phosphate mannose +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C MJD (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O MJE 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O MJF [(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid +Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC MJG n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N MJH (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide +CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC MJI 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O MJJ methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N MJK (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4 MJM (4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one +c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N MJP 2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C MJQ n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide +B([C@H](CCCC[NH3+])N)(O)OC MJS (5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium +c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N MJT anthracene-9-sulfonamide +c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5 MJU (3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine +c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F MJV n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide +c1ccc(cc1)COc2ccccc2N MJW 2-phenylmethoxyaniline +C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br MJY 4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N MJZ (2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MK0 1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5 MK1 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N MK2 n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine +C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N MK3 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br MK4 {5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC MK5 2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C MK6 (5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 MK7 (2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide +CCCC[C@@](C)(C(=O)O)N MK8 2-methyl-l-norleucine +CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C MK9 n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide +C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F MKA 4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide +c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5 MKB 6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 MKC 6-benzyl-1-ethoxymethyl-5-isopropyl uracil +CCCCCC[C@@](C)(C(=O)O)N MKD (2s)-2-amino-2-methyloctanoic acid +CC(=O)[C@H](CCC(=O)O)N MKE (4s)-4-amino-5-oxohexanoic acid +C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F MKG 4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide +c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O MKH 1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione +Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F MKK 1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone +CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C MKM 3beta-(2-diethylaminoethoxy)androst-5-en-17-one +c1cc(sc1)c2ccc(s2)c3cc[nH]n3 MKN 3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole +Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4 MKP 3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide +c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3 MKQ 3,5-diphenylbenzenesulfonamide +CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F MKR 1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C MKS 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C MKT 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C MKU 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one +c1c(c(c([nH]1)Br)Br)Br MKV 2,3,4-tribromo-1h-pyrrole +CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl MKW 1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one +[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC MKY ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N ML0 4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine +CC(=O)NCCc1c[nH]c2c1cc(cc2)OC ML1 n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide +CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC ML2 n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide +C[N+](C)(C)CCSC[C@@H](C(=O)O)N ML3 2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium +Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N ML4 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine +CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N ML5 {(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid +c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N ML6 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine +c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3 ML7 n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4 ML8 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO ML9 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C(C(=O)O)C(=O)O MLA malonic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O MLB 6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O MLC malonyl-coenzyme a +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C MLD glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala +CC(C)C[C@@H](C(=O)O)NC MLE n-methylleucine +C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C MLG n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine +CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O MLH ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate +C(C(=O)[O-])C(=O)[O-] MLI malonate ion +c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F MLJ ~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide +CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C MLK methyllycaconitine +CC(C)C[C@@H](C(=O)OC)N MLL methyl l-leucinate +C(C(=O)N)C(=O)O MLM 3-amino-3-oxopropanoic acid +CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O MLN (s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide +C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O MLO 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol +C1CC1(N)[P@](=O)(O)[O-] MLP 1-aminocyclopropylphosphonate +CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl MLQ (2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O MLR maltotriose +Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2 MLS 2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +C([C@H](C(=O)O)O)C(=O)O MLT d-malate +CC(C)C[C@H](C(=O)O)NC MLU n-methyl-d-leucine +c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 MLV 2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O MLW 4-chloranyl-5~{h}-cyclohepta[b]indol-10-one +c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-] MLX n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide +CN(C)CCCC[C@@H](C(=O)O)N MLY n-dimethyl-lysine +CNCCCC[C@@H](C(=O)O)N MLZ n-methyl-lysine +CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC MM0 n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine +C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3 MM1 1,4,8,11-tetraaza-cyclotetradecane cu(ii) +c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8 MM2 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2 +CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C MM3 n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide +O=[Mo]=O MM4 molybdenum (iv) oxide +c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8 MM5 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii) +C1CN2CCN3[Ni]24N(C1)CCN4CCC3 MM6 nickel(ii)(1,4,8,11-tetraazacyclotetradecane) +Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MM7 (1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol +Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4 MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N MM9 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MMA methyl alpha-d-mannopyranoside +CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O MMB (2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid +C[Hg+] MMC methyl mercury ion +CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4 MMD 5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN[C@@H](CCSC)C(=O)O MME n-methyl methionine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O MMF dtdp-3-n-methylamino-3,6-dideoxygalactose +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O MMG 4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C MMH n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C MMI n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide +Cc1c(sc(n1)c2ccccc2)CNC MMJ n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine +CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O MMK 2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid +Cc1ccc(cc1)C(C)C MML 1-methyl-4-(1-methylethyl)benzene +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O MMM (s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid +CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O MMN 5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC MMO n~2~-methyl-l-arginine +CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C MMP n-methylmesoporphyrin +C(P(=O)([O-])[O-])S MMQ mercaptomethyl phosphonate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C MMR methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N MMS mimosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O MMT 5'-o-(dimethylamino)-thymidine +CNC(=O)NC MMU 1,3-dimethylurea +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O MMV 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F MMW 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide +c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 MMY 5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN1C=CNC1=S MMZ 1-methyl-1,3-dihydro-2h-imidazole-2-thione +[Mn+2] MN manganese (ii) ion +CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O MN0 methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CNCCC1C(=O)O MN1 4-carboxypiperidine +c1cc(ccc1C[NH3+])CNCCC(=O)O MN2 1-carboxyethylaminomethyl-4-aminomethylbenzene +[Mn+3] MN3 manganese (iii) ion +[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2] MN5 manganese ion, 5 waters coordinated +[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2] MN6 manganese ion, 6 waters coordinated +CC(C)CNCc1ccc(cc1)C(=O)O MN7 1-carboxy-4-isobutylaminomethylbenzene +CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O MN8 2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O MN9 2-(acetylamino)-2-deoxy-d-mannose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O MNA 2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid +c1cc(c(cc1S)C(=O)O)[N+](=O)[O-] MNB 5-mercapto-2-nitro-benzoic acid +C[N+]#[C-] MNC methyl isocyanide +CNC(=O)C[C@H](C(=O)O)N MND n-methyl-d-asparagine +C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O MNG menogaril +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MNH manganese protoporphyrin ix +CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O MNI n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F MNJ 4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C MNK (2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one +CC[C@@H](C)C[C@@H](C(=O)O)NC MNL 4,n-dimethylnorleucine +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO MNM (2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine +c1ccc(cc1)[C@@H](C#N)O MNN (s)-mandelic acid nitrile +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2 MNO (3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide +c1cc(cc(c1)[N+](=O)[O-])CC(=O)O MNP 2-(3-nitrophenyl)acetic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F MNQ m-nitrophenyl aminoethyldiphosphate beryllium trifluoride +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C MNR protoporphyrin ix containing mn +CN(C)c1cccc2c1cccc2S(=O)(=O)N MNS 5-(dimethylamino)-1-naphthalenesulfonamide +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N MNT 2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate +CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O MNU (2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate +CC(C)[C@@H](C(=O)N)NC MNV n-methyl-c-amino valine +c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O MNX 1,8-di-hydroxy-4-nitro-xanthen-9-one +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N MNY 5,8-di-amino-1,4-dihydroxy-anthraquinone +C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O MNZ (4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid +[Mo] MO molybdenum atom +C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O MO0 mannopine +[OH2][Mg+2] MO1 magnesium ion, 1 water coordinated +[OH2][Mg+2][OH2] MO2 magnesium ion, 2 waters coordinated +[OH2][Mg+2]([OH2])[OH2] MO3 magnesium ion, 3 waters coordinated +[OH2][Mg+2]([OH2])([OH2])[OH2] MO4 magnesium ion, 4 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2] MO5 magnesium ion, 5 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2] MO6 magnesium ion, 6 waters coordinated +[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-] MO7 bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi) +Cc1c2c(nc(n1)N)CCSC2 MO8 4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine +c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F MO9 (1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate +Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2 MOA mycophenolic acid +COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O MOB 2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N MOC carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester +CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MOD l-methionyl adenylate +COCC[O-] MOE methoxy-ethoxyl +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C MOF mometasone furoate +Cc1nc2c(o1)N=C(NC2=O)N MOG 5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one +CO MOH methanol +C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O MOI (7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol +Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F MOJ (5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime +Cc1c(c(no1)c2ccccc2)C(=O)O MOK 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N MOL 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +O[Mo](=O)=O MOM hydroxy(dioxo)molybdenum +c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O MON 4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol +[O-][Mo](=O)(=O)[O-] MOO molybdate ion +CC(C)CCC=O MOP 4-methylpentanal +C1COCCN1C(=O)O MOR morpholine-4-carboxylic acid +O=[Mo](=O)S MOS dioxothiomolybdenum(vi) ion +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MOT n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O MOU (1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid +CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C MOV amg 510 (bound form) +O=[Mo]S MOW oxo(sulfanyl)molybdenum(iv) ion +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O MOX (2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3 MOY [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone +C/C(=C(\C(=O)O)/N)/O MOZ (2z)-2-amino-3-hydroxybut-2-enoic acid +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC MP0 (2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide +CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C MP1 n-methylmesoporphyrin containing copper +c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O MP2 n-[(benzyloxy)carbonyl]-l-cysteinylglycine +C([C@H](C(=O)O)O)OP(=O)(O)O MP3 3-phosphoglyceric acid +Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O MP4 (2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid +Cc1ncc(c(n1)N)COP(=O)(O)O MP5 (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate +C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5 MP6 4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one +c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F MP7 1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide +C[C@@H]1C[C@H](NC1)C(=O)O MP8 (4r)-4-methyl-l-proline +c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N MP9 2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid +CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MPA (1r)-menthyl hexyl phosphonate group +COC(=O)c1ccc(cc1)O MPB 4-hydroxy-benzoic acid methyl ester +CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MPC (1s)-menthyl hexyl phosphonate group +C[C@@H](CC(C)(C)O)O MPD (4s)-2-methyl-2,4-pentanediol +c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS MPE (1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid +CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O MPG [(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate +CSCC[C@H](N)P(=O)(O)O MPH (1-amino-3-methylsulfanyl-propyl)-phosphonic acid +c1cc[n+]2cc[nH]c2c1 MPI imidazo[1,2-a]pyridine +CSCC[C@H](N)[P@H](=O)O MPJ (1-amino-3-methylsulfanyl-propyl)-phosphinic acid +Cc1c(c(no1)c2ccccc2)CO MPK (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O MPL n-methyl-pyridoxal-5'-phosphate +CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O MPM (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid +C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O MPN phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +C1COCCN1CCCS(=O)(=O)O MPO 3[n-morpholino]propane sulfonic acid +COc1ccc(cc1OC)CCC(=O)O MPP 3-(3,4-dimethoxyphenyl)propionic acid +CN[C@@H](c1ccccc1)C(=O)O MPQ n-methyl-alpha-phenyl-glycine +C(CS)C=O MPR 2-mercapto-propion aldehyde +C[P@H](=O)O MPS methylphosphinic acid +C(CS)C(=O)O MPT beta-mercaptopropionic acid +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O MPU d-monapterin +Cn1c(cc(n1)c2cccs2)N MPV 1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine +COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine +CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N MPX 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide +CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC MPY (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5 MPZ 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide +c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4 MQ0 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile +COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N MQ1 5-(4-methoxyphenoxy)-2,4-quinazolinediamine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br MQ2 ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O MQ4 (1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C MQ7 menaquinone-7 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C MQ8 menaquinone 8 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C MQ9 menaquinone-9 +CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC MQA [(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate +c1ccc2c(c1)c(co2)CC(=O)O MQB 2-(1-benzofuran-3-yl)ethanoic acid +[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N MQC 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide +C[C@@H](C[C@@](C)(CO)O)O MQD 2-methylpentane-1,2,4-triol +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C MQE 2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione +CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O MQG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C MQH bottromycin a2 +Cc1cc2cccc(c2nc1)S(=O)=O MQI 8-hydrosulfonyl-2-methylquinoline +c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F MQJ 2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl MQM 7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine +Cc1ccc2cc(ccc2n1)N MQN 2-methylquinolin-6-amine +Cc1cc2c(c(c1)OC)NC=CC2=O MQO 8-methoxy-6-methylquinolin-4(1h)-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 MQP [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 MQQ n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide +C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQR [(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQS [(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O MQT methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside +COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N MQU 7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6 MQV 7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine +CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C MQW (4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F MQY (5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C MQZ bottromycin a2 derivative +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N MR0 n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide +c1cc2c(cc1CN)OCO2 MR1 1-(1,3-benzodioxol-5-yl)methanamine +c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-] MR2 3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one +Cn1cccc1 MR3 1-methyl-1h-pyrrole +Cc1cc(cc(c1O)C)c2nc3ccccc3o2 MR4 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol +c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br MR5 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol +Cc1cc(cc(c1)c2nc3ccccc3o2)C MR6 2-(3,5-dimethylphenyl)-1,3-benzoxazole +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC MR8 28-o-methylrapamycin +Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F MR9 4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO MRA 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC MRB bottromycin a2 derivative +CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O MRC mupirocin +C[C@H](CC(C)(C)O)O MRD (4r)-2-methylpentane-2,4-diol +CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O MRE 2-(4-dimethylaminophenyl)diazenylbenzoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS MRG n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C MRH 4-acetamido-4,6-dideoxy-alpha-d-mannopyranose +c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MRI 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one +CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MRJ n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3 MRK 2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide +C1CN(CCC1N)C(=O)O MRM 4-aminopiperidine-1-carboxylic acid +Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C MRN 2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide +c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O MRO 2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O MRP 3-o-methyl-alpha-l-rhamnopyranose +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N MRQ (14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide +CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRR (r)-2-methylmyristoyl-coenzyme a +CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRS (s)-2-methylmyristoyl-coenzyme a +CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6 MRT (5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid +CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O MRU 5-s-methyl-1-o-phosphono-5-thio-d-ribulose +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C MRV 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide +c1cc2c(ccnc2cc1Cl)O MRW 7-chloroquinolin-4-ol +c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3 MRX 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide +C([C@H]([C@H](CO)O)O)O MRY meso-erythritol +[H]/N=C(\N)/N1CCCCC1 MRZ piperidine-1-carboximidamide +COc1ccc2c(c1)occ2CC(=O)O MS0 (6-methoxy-1-benzofuran-3-yl)acetic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N MS1 2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid +C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C MS2 2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide +CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4 MS3 n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine] +c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N MS4 3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate +COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N MS5 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate +CSCC[C@@H](CS)N MS6 (2s)-2-amino-4-(methylsulfanyl)butane-1-thiol +CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N MS7 o-benzyl-n-methyl-l-tyrosinamide +C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1 MS8 (2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +COC(=O)c1ccc(cc1N)Cl MS9 methyl 2-amino-4-chlorobenzoate +CN[C@@H](C(=O)O)SC MSA (2-s-methyl) sarcosine +COc1ccc(cc1)S(=O)=O MSB 1-methyloxy-4-sulfone-benzene +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F MSC 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide +CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC MSD 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea +C[Se]CC[C@@H](C(=O)O)N MSE selenomethionine +C[Se]CC(=O)[O-] MSF [methylseleno]acetate +C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MSG 7-methyl-6-thio-guanosine +CCC[C@@H](CC)S(=O)(=O)C MSH 3-methanesulfonyl-hexane +CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4 MSI 1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione +CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2 MSJ n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide +S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe] MSK broken fe4s4 cluster +C[S@](=N)(=O)CC[C@@H](C(=O)O)N MSL (2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid +CSC MSM (methylsulfanyl)methane +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MSN (1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol +C[Se@@](=O)CC[C@@H](C(=O)O)N MSO selenomethionine selenoxide +CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MSP 5'-o-[(l-methionyl)-sulphamoyl]adenosine +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC MSQ 4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline +c1cc(ccc1n2ccnc2)O MSR 4-(1h-imidazol-1-yl)phenol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O MSS (molybdopterin-s,s)-oxo-molybdenum +CCNc1nc(nc(n1)SC)NC(C)(C)C MST 2-t-butylamino-4-ethylamino-6-methylthio-s-triazine +COC(=O)CCC(=O)O MSU succinic acid monomethyl ester +CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1 MSW [(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid +CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O MSX methyl 1,6-dithio-alpha-d-mannopyranoside +CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N MSY 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide +c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MSZ (2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +Cc1c2ccccc2c(nn1)Cl MT0 1-chloro-4-methylphthalazine +CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MT1 n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid +CC[S@@+](C)CC[C@@H](C(=O)O)N MT2 [(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5 MT3 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one +CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC MT4 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one +CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O MT5 n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium +COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O MT6 methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O MT7 alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C[C@]1(CCN2c3c1cccc3CCC2=O)O MT8 (1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one +CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O MT9 (3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MTA 5'-deoxy-5'-methylthioadenosine +CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O MTB 2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid +COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O MTC [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester +C[Te]CC(=O)[O-] MTD [methyltelluro]acetate +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O MTE phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester +CNC=S MTF n-methylthioformamide +CSCC(=O)[O-] MTG [methylthio]acetate +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O MTH 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol +CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O MTI 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium +CN[C@@H](Cc1ccc(cc1)OC)C(=O)O MTJ n,o-dimethyl-l-tyrosine +CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O MTK montelukast +C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O MTL d-mannitol +CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O MTM (3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol +CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C MTN s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +O MTO bound water +CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MTP 2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O MTQ (molybdopterin-s,s)-dioxo-thio-molybdenum(vi) +CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MTR (5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC MTS (4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O MTT maltotetraose +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MTU 9-beta-d-ribofuranosyl-9h-purin-2-amine +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O MTV (molybdopterin-s,s)-dioxo-thio-molybdenum(iv) +c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4 MTW hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MTX methotrexate +c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY meta-tyrosine +Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2 MTZ 4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O MU0 (5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C MU1 n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide +C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MU2 n-acetylmuramyl-l-alanyl-d-isoglutamine +CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MU4 n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4 MU5 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide +COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC MU7 n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide +c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl MU8 (2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide +CN1C2=C(C(=O)NC(=O)N2)NC1=O MUA 9-methyl uric acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MUB n-acetyl-alpha-muramic acid +C1=CC(=O)O[C@H]1CC(=O)O MUC [(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O MUD n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc2cc(ccc2c1)S(=O)(=O)N MUE naphthalene-2-sulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C MUF (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O MUG 4-methylumbelliferyl-alpha-d-glucose +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F MUH n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUI (5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N MUJ 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine +Cc1cc(nc(n1)Nc2ccccc2)C MUK 4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine +CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C MUL tiamulin +C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O MUM 5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine +CCCCCCCC/C=C/C(=O)OC[C@H](CO)O MUN [(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate +CCCCCCCCCCC[P@](=O)(O)OC MUP methoxyundecylphosphinic acid +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N MUQ 4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N MUR beta-muramic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O MUS 4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUT (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O MUU n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O MUV n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide +CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN MUW n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O MUX (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate +CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O MUY (r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid +[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N MUZ [(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid +CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O MV1 (2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide +CC(C)(CO)[C@@H](C(=O)NCCCO)O MV2 (2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide +c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N MV4 7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine +C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N MV5 (2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O MV7 n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC(C)[C@H](C(=O)O)NC MV9 (2~{r})-3-methyl-2-(methylamino)butanoic acid +CC(C)[C@@H](C(=O)O)NC MVA n-methylvaline +C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O MVB (1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol +CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O MVC monovaccenin +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O MVD 2alpha-methyl-1alpha,25-dihydroxy-vitamin d3 +CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6 MVE cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N MVF (2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O MVG 4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid +CC(=CC(=O)NC)OP(=O)(O)OC MVH methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O MVI mycinamicin vi +c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2 MVJ 5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C MVK 4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O MVL (5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5 MVM n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide +CC1=CC(=O)Nc2c1cc(cc2)Cl MVN 6-chloro-4-methyl-1h-quinolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O MVP (1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol +CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5 MVQ (2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide +CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F MVT 3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MVV (2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C MVW 5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole +COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MVY methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br MVZ 5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine +Cc1ccc(o1)CO MW0 (5-methylfuran-2-yl)methanol +[OH2][Mn+2] MW1 manganese ion, 1 water coordinated +[OH2][Mn+2][OH2] MW2 manganese dihydrate ion +[OH2][Mn+2]([OH2])[OH2] MW3 manganese ion, 3 waters coordinated +CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MW4 ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl MW5 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one +C=Cc1ccc(cc1)C(=O)O MW7 4-ethenylbenzoic acid +c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br MW8 5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide +CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWA (3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide +c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4 MWB n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine +Cc1ccc(o1)CON(O)O MWC dihydroxy[(5-methylfuran-2-yl)methoxy]amine +CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWD (3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O MWG (3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate +Cc1cc(ccc1O)Br MWJ 4-bromo-2-methylphenol +c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5 MWL 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine +Cc1cc(ccc1O)F MWM 4-fluoro-2-methylphenol +c1cc2c(cc1N)S(=O)(=O)C=C2 MWP 1-benzothiophen-6-amine 1,1-dioxide +c1c([nH]cn1)CCC(=O)O MWQ 3-(1~{h}-imidazol-5-yl)propanoic acid +C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O MWS 4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN MWT 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one +CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F MWV (1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate +c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN MWW 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C MWY (3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate +C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN MWZ 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine +CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O MX0 (1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O MX1 (2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid +CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N MX3 (1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid +c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N MX4 {1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid +c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N MX5 {1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MX7 (2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO MX8 4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC MXA 6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine +Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O MXB (r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide +C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O MXC (2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid +c1c([n+](c(nc1N2CCCCC2)N)[O-])N MXD 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide +COCCO MXE 2-methoxyethanol +C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O MXF (2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C MXG 2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N MXH 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea +CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N MXI 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine +CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl MXJ (3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O MXK (2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O MXL moxalactam +Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O MXM 4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +c1ccc(cc1)[C@H](C#N)O MXN (2r)-hydroxy(phenyl)ethanenitrile +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C MXP myxopyronin b +C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO MXQ (1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C MXR (2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O MXS (2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid +CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C MXT 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione +CC1=CC(=O)N(c2c1c(ccc2OC)OC)C MXX 5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O MXY 2-o-methyl-beta-l-fucopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O MXZ 2-o-methyl-alpha-l-fucopyranose +C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N MY0 (2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid +c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY1 [n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid +c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY2 {1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY3 [n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid +c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY4 (1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY5 {1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +Cn1cnc2c1C(=O)NC(=N2)N MY6 2-amino-7-methyl-1,7-dihydro-6h-purin-6-one +CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O MY7 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid +CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C MY8 mycinamicin viii +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O MY9 n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MYA tetradecanoyl-coa +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O MYB decarboxylated myriocin +c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MYC 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2 MYD {[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br MYE n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide +c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O MYF 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O MYG (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1ccc2c(c1)c(c[nH]2)CC(=O)O MYI (5-methoxy-1h-indol-3-yl)acetic acid +Cc1cc(ccc1O)N(=O)=O MYJ 2-methyl-4-nitrophenol +CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N MYK n~6~-tetradecanoyl-l-lysine +C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C MYL mycalamide a +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MYM s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate +C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N MYN (2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4 MYP 4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide +C([C@@H](C(=O)O)S[Au])C(=O)O MYQ (s)-(1,2-dicarboxyethylthio)gold +CCCCCCCCCCCCCC(=O)O MYR myristic acid +CCCCCCCCCCCCCCC MYS pentadecane +CC(C)(c1cccnc1)C(=O)c2cccnc2 MYT metyrapone +c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O MYU 3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O MYV mycinamicin v +B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N MYW nidocarborane +C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC MYX (2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC MYY (2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate +CCCC/C=C\CCCCCCCC(=O)O MYZ myristoleic acid +c1c([nH]cn1)CO MZ0 1h-imidazol-5-ylmethanol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C MZ1 n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide +C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F MZ2 (2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide +Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O MZ3 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide +COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O MZ4 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ5 (2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ6 n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide +CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ7 n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ8 n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC MZ9 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5 MZA 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MZB (1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol +CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC MZC methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MZD s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N MZE 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea +Cc1cc(ccc1O)Cl MZG 4-chloro-2-methylphenol +C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O MZH 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione +C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4 MZJ 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one +c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F MZK 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one +CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4 MZL n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide +CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C MZM n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O MZN 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one +COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 MZO n-(3-methoxyphenyl)-9h-purin-6-amine +c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N MZP 4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F MZQ 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N MZR 5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F MZS 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +C[C@H](CCC(=O)O)[N+](C)(C)C MZT 4-(trimethylammonio)pentanoic acid +c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4 MZV 3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +CCc1nnc(s1)N MZW 5-ethyl-1,3,4-thiadiazol-2-amine +CC1=CC(=O)Nc2c1c(ccc2OC)OC MZX 5,8-dimethoxy-4-methylquinolin-2(1h)-one +C1=CNC(=S)N1 MZY 1,3-dihydroimidazole-2-thione +c1cc(ccc1C(=O)n2ccnc2)N MZZ (4-aminophenyl)-imidazol-1-yl-methanone +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O N any 5'-monophosphate nucleotide +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O N01 3-acetylpyridine adenine dinucleotide +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O N02 (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C N03 1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3 N04 (2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N N05 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid +Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 N07 [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone +c1cc(oc1)C(=O)NCCc2ccc(cc2)F N08 ~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide +COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4 N09 n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide +c1cc(cc(c1)F)C[C@@H](C(=O)O)N N0A 3-fluoro-l-phenylalanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N N0B adenylated norbornene +Cc1ccc(c(c1)C)O N0D 2,4-dimethylphenol +c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O N0E ~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide +C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O N0G 2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide +c1ccc(cc1)OCC(=O)Nc2ccccc2O N0H ~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide +CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0J (4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O N0K 5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0M (4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO N0N 5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2 N0P (4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0Q 5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0S (4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO N0T (1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol +COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8 N0V (3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0W 5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N N0Z 2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol +CCCCCCNC(=O)OC[C@@H](C(=O)O)N N10 o-[(hexylamino)carbonyl]-l-serine +c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO N11 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol +[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N N12 n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine +c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F N13 2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide +C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N14 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 N15 2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide +C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3 N16 (3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione +Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4 N17 3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide +COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 N18 methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate +c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N N19 4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N1A 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C N1B (s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O N1C n1-cyclic inosine 5'-diphosphoribose +CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC N1D 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one +COC(=O)c1ccc2c(c1)cccn2 N1E methyl quinoline-6-carboxylate +c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4 N1G 1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O N1H {5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid +CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F N1J n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N N1L 2-amino-2-deoxy-beta-d-glucopyranuronic acid +CNC(=O)c1ccccc1I N1M 2-iodo-n-methylbenzamide +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl N1N 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid +CCC[N+](=O)[O-] N1P 1-nitropropane +COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F N1Q 5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C N1S (2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-] N1T 1'-deazo-thiamin diphosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N1V (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O N1W (2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid +Cc1ccc(o1)[C@@H]2CCCCO2 N1X (2s)-2-(5-methylfuran-2-yl)oxane +c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl N1Y 2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine +CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-] N1Z hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O N20 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine +c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O N21 (2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC N22 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3 N23 n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide +c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl N24 (2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one +CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C N25 1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide +c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O N26 naphthalene-2,6-diyl bis[dihydrogen (phosphate)] +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4 N27 n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide +c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO N28 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl N2A n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide +CCc1ccccc1 N2B ethylbenzene +CN[C@@H](CSC)C(=O)O N2C n,s-dimethylcysteine +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl N2D n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide +Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C N2E ~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-] N2F 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran +c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3 N2G 2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C(CCNC(O)O)CN N2H (4-azanylbutylamino)methanediol +C=Nc1ccc2ccccc2c1 N2I n-(naphthalen-2-yl)methanimine +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N2J n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F N2K ~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide +c1cc2cc(ccc2c(c1)N)S(=O)(=O)O N2M 5-amino-naphtalene-2-monosulfonate +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2N dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +N#[N+][O-] N2O nitrous oxide +C(CCN)CCN N2P pentane-1,5-diamine +Cc1ccc(o1)c2ccn[nH]2 N2Q (5p)-5-(5-methylfuran-2-yl)-1h-pyrazole +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2R dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2S chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F N2T (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide +CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl N2V n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2W chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl N2Y (2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine +c1ccc(c(c1)c2[nH]cnn2)Cl N2Z 3-(2-chlorophenyl)-4~{h}-1,2,4-triazole +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N N30 (1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N32 2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N N33 (2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol +CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N34 n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide +CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N35 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O N37 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine +COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO N38 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide +C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N3A 2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid +c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F N3B n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl N3C 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CNCCCN N3D n-methylpropane-1,3-diamine +C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO N3E 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N N3F {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N N3G n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N3H n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CC(=O)Nc1cccc(c1)N N3M n-(3-aminophenyl)acetamide +c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O N3P n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide +c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO N3Q 2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol +Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N N3T 3'-deazo-thiamin diphosphate +c1cc(c(c(c1)N)Cl)c2[nH]cnn2 N3W 2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline +CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC N3Z ~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide +CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO N40 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide +c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N41 4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C N42 n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide +C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4 N44 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate +CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3 N45 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione +Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC N47 n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine +CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C N48 4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N N4A 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide +CCCCc1ccccc1 N4B n-butylbenzene +[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N N4C n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC N4D n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +CCOc1ccc(cc1)NC(=O)C N4E n-(4-ethoxyphenyl)acetamide +c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N N4I 4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6 N4K 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole +C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O N4M 1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol +c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O N4N 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid +C(CCN(CCCN)CCCN)CN N4P n,n-bis(3-aminopropyl)butane-1,4-diamine +COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC N4Q 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine +CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2 N4R nexturastat a +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O N4S n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F N4T (1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine +CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4 N4W ~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine +COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C N4Z ~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine +Cc1c(nc(nc1OC)OC)C=C(CO)CO N50 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol +CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5 N51 4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide +CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C N53 n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide +C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3 N55 2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol +c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl N56 (3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O N57 (2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3 N58 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N N5A 5'-n-[(2-amino)ethyl carboxamido] adenosine +c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3 N5B n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-] N5C 5-nitrocytidine 5'-(tetrahydrogen triphosphate) +Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3 N5D n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O N5F (2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid +C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O N5G n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid +C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O N5H (2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid +c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-] N5I 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole +c1cncc2c1C(=O)NC=N2 N5J 3h-pyrido[3,4-d]pyrimidin-4-one +COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N N5K 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] N5M 5-nitrocytidine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3 N5N 2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N N5O 5'-n-(2-hydroxyl)ethyl carboxyamido adenosine +c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-] N5P 1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole +c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid +Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O N5S n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea +CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F N5T (2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +CCNC(=O)Nc1nccs1 N5V n-ethyl-n'-1,3-thiazol-2-ylurea +c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F N5W 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3 N5Y n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide +c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F N5Z 1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3 N61 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O N62 ~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide +Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 N64 n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea +CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C N65 (2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC N66 ~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC N67 n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide +C(CCCOP(=O)(O)O)CCN N68 6-aminohexyl dihydrogen phosphate +CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 N69 6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 N6A n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O N6B 4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide +CCCCCC[N+](=O)[O-] N6C 1-nitrohexane +Cc1cc(no1)NC(=O)Nc2cccc(c2)COC N6D n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O N6E n6-methyladenosine 5'-triphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N N6G ((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C N6H [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 N6J n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N N6L d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide +CNc1c2c([nH]cn2)ncn1 N6M n-methyl-9h-purin-6-amine +c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O N6P 6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine +CC(C)CCCC(=C)C=C N6Q 7-methyl-3-methylidene-oct-1-ene +C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O N6R (2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O N6S (2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O N6T 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine +CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C N6V n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N N6W benzo[b][1]benzazepine-11-carboxamide +c1cc(cc(c1)N)c2cccnc2 N6Y 3-(pyridin-3-yl)aniline +CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F N6Z ~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide +Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2 N71 n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea +C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O N72 (2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 N73 (2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3 N74 n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O N75 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid +c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N76 3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide +c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-] N77 7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N78 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O N79 [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N N7A 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7B ~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO N7D 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7E n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide +c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6 N7F 6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7G (2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide +Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C N7H delta-meso nitroheme +COc1cc(ccc1O)/C=C/CO N7I 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol +c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2 N7J (2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7K ~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N N7M 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide +c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO N7N (3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O N7O (s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid +CC(=O)N1CCC[C@H]1C(=O)O N7P 1-acetyl-l-proline +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Q ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O N7R n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O N7T (2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N N7V 3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7W ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC N7X 5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N N7Y adenosine 3',5'-bis(trihydrogen diphosphate) +CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Z ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide +C=CN1CCC[C@H]1C(=O)O N80 1-ethenyl-l-proline +C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O N81 3-carboxy-2,3-dideoxy-d-erythro-pentaric acid +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N82 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N85 n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O N87 (1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid +CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O N88 (1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid +c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide +CCCCCCCC[N+](=O)[O-] N8C 1-nitrooctane +CCCCCCCCOCCOCCOCCOCCOCCO N8E 3,6,9,12,15-pentaoxatricosan-1-ol +C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F N8G [[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5 N8J (2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5 N8K n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N N8M 5'-deoxy-5'-(dimethylamino)-8-methyladenosine +c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl N8N (2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one +CC(=O)N1CCC[C@@H]1C(=O)O N8P n-acetyl-d-proline +c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3 N8Q 4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione +Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N N8S 4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6 N8T n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine +CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO N8V (1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O N8W ~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide +COc1ccc2c(c1)c(ncn2)N N8Y 6-methoxyquinazolin-4-amine +CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl N8Z 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol +CC(=O)Nc1ccc2c(c1)ncn2C N91 n-(1-methylbenzimidazol-5-yl)acetamide +c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl N92 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid +CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl N93 5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine +c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N N94 4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide +B(c1cnn(c1)c2cc(ncn2)Cl)(O)O N95 [1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid +c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F N97 4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide +COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5 N98 methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate +CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N N9A (3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC N9B 1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one +CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N N9D (3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid +CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4 N9G 6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide +CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3 N9H (5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide +c1ccc(cc1)COC(=O)NO N9J benzyl hydroxycarbamate +CN[C@@H](Cc1ccc(cc1)O)C(=O)O N9K (2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid +c1ccc(cc1)COC(=O)NOC(=O)O N9M benzyl (carboxyoxy)carbamate +c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O N9N (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone +c1cnccc1C[C@@H](C(=O)O)N N9P 3-pyridin-4-yl-l-alanine +c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O N9Q 4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O N9S 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose +COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4 N9T (1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide +CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O N9V 5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) +CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1 N9W 4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide +c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O N9Y (3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide +CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C N9Z 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile +[Na+] NA sodium ion +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O NA0 3-acetylpyridine adenine dinucleotide phosphate +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O NA1 2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose +[OH2-][Na+][OH2-] NA2 sodium ion, 2 water coordinated +c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O NA3 (3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid +c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O NA4 4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid +[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-] NA5 sodium ion, 5 waters coordinated +[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-] NA6 sodium ion, 6 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N NA7 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+] NA8 (1s)-1-carboxy-2-naphthalen-2-ylethanaminium +[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N NA9 n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAA 2-acetamido-2-deoxy-beta-d-allopyranose +c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O NAB 2-((4'-hydroxynaphthyl)-azo)benzoic acid +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAC 3-acetyl pyridine adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAD nicotinamide-adenine-dinucleotide +CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAE nicotinamide adenine dinucleotide acetone adduct +C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O NAF m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAG 2-acetamido-2-deoxy-beta-d-glucopyranose +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAH nicotinamide-adenine-dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N NAI 1,4-dihydronicotinamide adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N NAJ nicotinamide-adenine-dinucleotide (acidic form) +CC(=[NH2+])C(=O)[O-] NAK amino-acrylate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N NAL beta-(2-naphthyl)-alanine +c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N NAM nam napthylaminoalanine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O NAN 5-n-acetyl-alpha-d-neuraminic acid +[OH2-][Na+] NAO sodium ion, 1 water coordinated +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NAP nadp nicotinamide-adenine-dinucleotide phosphate +CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAQ nicotinamide adenine dinucleotide 3-pentanone adduct +c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O NAR naringenin +c1ccc2cc(ccc2c1)S(=O)(=O)O NAS 2-naphthalenesulfonic acid +CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C NAT ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O NAU 4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O NAV 6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid +[OH2-][Na+]([OH2-])[OH2-] NAW sodium ion, 3 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N NAX beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide +CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O NAY 6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid +Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4 NAZ n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide +CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NB1 (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NB2 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O NB4 (2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F NB5 7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F NB7 n'-[(2-fluorophenyl)sulfonyl]benzohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N NB8 5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +CNCCCNCCCNCCC(O)O NBA 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol +CCCCNS(=O)(=O)c1ccccc1 NBB n-butyl-benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O NBC s-4-nitrobutyryl-coa +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O NBD n6-benzyl-nicotinamide-adenine-dinucleotide +c1ccc(cc1)N=O NBE nitrosobenzene +B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O NBF [(2-ethoxy-1-naphthoyl)amino]methylboronic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O NBG n-acetyl-beta-d-glucopyranosylamine +CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC NBH n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide +c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-] NBI 2-nitro-n-phenylbenzamide +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I NBJ n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F NBK 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2 NBL n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide +c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] NBM 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine +CCCC[N+]#[C-] NBN n-butyl isocyanide +CC(=O)CCc1ccc2cc(ccc2c1)OC NBO nabumetone +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N NBP nicotinamide 8-bromo-adenine dinucleotide phosphate +c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N NBQ 2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C NBR 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O NBS n6-benzyl adenosine-5'-diphosphate +CC[C@H](C)[N+](=O)[O-] NBT (2s)-2-nitrobutane +CCCC NBU n-butane +CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NBV (2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol +CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C NBW ~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N NBX n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] NBY n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[N+](=O)[O-] NBZ nitrobenzene +CN NC methylamine group +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N NC1 nitrocefin acyl-serine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N NC2 nitrocefin acyl-serine +C1CCC(CC1)NC(=O)NCC(=O)O NC3 n-[(cyclohexylamino)carbonyl]glycine +C1CCC(CC1)NC(=O)NCCCC(=O)O NC4 4-{[(cyclohexylamino)carbonyl]amino}butanoic acid +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC NC5 3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide +C1CCC(CC1)NC(=O)NCCCCCC(=O)O NC6 6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid +C1CCC(CC1)NC(=O)NCCCCCCC(=O)O NC7 7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N NC8 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N NC9 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium +c1cc(cnc1)C(=O)N NCA nicotinamide +C[C@H](C(=O)O)NC(=O)N NCB n-carbamoyl-alanine +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O NCC cytidine-5'-monophosphate-5-n-acetylneuraminic acid +C([C@@H](C(=O)O)NC(=O)N)C(=O)O NCD n-carbamoyl-l-aspartate +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5 NCE 3,6-bis[(3-morpholinopropionamido)] acridine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O NCF (2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC NCG [(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene +C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] NCH p-nitrophenyl-phosphocholine +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC NCI 3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine +C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C NCJ 3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine +CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C NCK 3,6-bis[3-(4-methylpiperidino)propionamido]acridine +C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C NCL 3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine +C1C[C@@H]2C[C@H]1CC2=O NCM norcamphor +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O NCN nicotinate mononucleotide +[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3] NCO cobalt hexammine(iii) +N[Pt](N)(Cl)Cl NCP cis-diaminodichloroplatinum +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5 NCQ 3,6-bis[3-(azepan-1-yl)propionamido]acridine +Cc1ccc(c(c1)[N+](=O)[O-])O NCR 2-nitro-p-cresol +Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC NCS spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]] +C[N@@]1CCC[C@H]1c2cccnc2 NCT (s)-3-(1-methylpyrrolidin-2-yl)pyridine +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NCU [(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CC1=C(N(C(=O)NC1=O)C)CC(CO)CO NCV n-methyl-6-(1,3-dihydroxy-isobutyl)thymine +CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O NCW (1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide +c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N NCX 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide +CN[C@@H](CS)C(=O)O NCY n-methylcysteine +Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC NCZ 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester +[Nd+3] ND neodymium ion +CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F ND1 (2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide +CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C ND2 4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine +CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C ND3 2,2-dimethyl-3-dehydroquinic acid +[2H][N+]([2H])([2H])[2H] ND4 ammonium cation with d +c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br ND5 3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N ND7 5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)cc(s2)C(=O)O ND8 benzothiophene 2 carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN NDA 3-aminomethyl-pyridinium-adenine-dinucleotide +C[N+](C)(CCCS(=O)(=O)O)CCO NDB n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium +c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O NDC nicotinamide adenine dinucleotide cyclohexanone +c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O NDD 2,6-dicarboxynaphthalene +c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NDE adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O NDF n-(carboxycarbonyl)-d-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O NDG 2-acetamido-2-deoxy-alpha-d-glucopyranose +c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O NDH (1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene +CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O NDJ (2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +Cn1c[n+](c2c1NC(NC2O)N)C NDM 7,9-dimethylguanine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDN 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N NDO nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDP nadph dihydro-nicotinamide-adenine-dinucleotide phosphate +Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O NDQ 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NDR (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one +CC[N+](C)(C)CCCS(=O)(=O)[O-] NDS ethyl dimethyl ammonio propane sulfonate +B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O NDT 2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol +C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDU 2'-deoxy-5-nitrouridine 5'-monophosphate +CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C NDV (2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDW alpha-nadph +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C NDX [[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O NDY (1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O NDZ (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl NE1 2',3,3',4',5-pentachlorobiphenyl-4-ol +c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl NE2 3,3',4',5-tetrachlorobiphenyl-4-ol +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O NE5 5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid +CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C NE6 methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NE7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NE8 6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N NEA 5'-deoxy-5'-[2-(amino)ethylthio]adenosine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+] NEB 2-deoxy-d-streptamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NEC n-ethyl-5'-carboxamido adenosine +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+] NED 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3 NEE 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O NEF nitrocefin - open form +C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N NEG negamycin +CCN NEH ethanamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O NEI (2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NEJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(ccc1/C=N/OCCC(=O)O)O NEK 3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N NEM ne2-methylated histidine +CCN1C(=O)CCC1=O NEN 1-ethyl-pyrrolidine-2,5-dione +c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O NEO neopterin +c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N NEP n1-phosphonohistidine +CCN1C(=O)C=CC1=O NEQ n-ethylmaleimide +CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O NER (15e)-tetracos-15-enoic acid +C(CS(=O)(=O)O)NC(CO)(CO)CO NES 2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid +CC[N+](CC)(CC)CC NET tetraethylammonium ion +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O NEU l-neopterin +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NEV nevirapine +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl NEW 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol +C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C NEX (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol +Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NEZ 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O NF n,n'-(3,7-diazanonylene)-bis-naphthalimide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O NF1 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O NF2 (1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol +CCOC(=O)/C=C\C(=O)O NF3 (~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NF4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br NF5 4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O NF6 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NF7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F NF8 (2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol +c1ccc(cc1)C[C@@H](C(=O)N)N NFA phenylalanine amide +C(=O)[Fe](C=O)(C#N)O[Ni] NFB ni-fe active center b-form +C(=O)[Fe](C=O)(C#N)O(=O)[Ni] NFC ni-fe active center a-form +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N NFD nicotinamide 2-fluoro-adenine dinucleotide +C(=O)=[Fe](=C=O)(SO)S[Ni] NFE ni-fe active center +CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O NFF (2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F NFG 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside +CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C NFH n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NFJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O NFK n'-formylkynurenine +c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F NFL 2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid +Cc1ncc(c(n1)N)CNC=O NFM n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide +CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] NFN 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +C(=O)[Fe](C=O)(C#N)O[Ni] NFO ni-fe oxidized active center +c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N NFP (1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine +[H]/N=C/N[C@@H](CC(=O)O)C(=O)O NFQ n-[(e)-iminomethyl]-l-aspartic acid +C(=O)[Fe](C=O)(C#N)[Ni] NFR ni-fe reduced active center +S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51 NFS fe(4)-ni(1)-s(5) cluster +CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F NFT n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide +C(=O)[Fe](C#N)(C#N)[Ni] NFU formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni) +C(#N)[Fe](C#N)(C#O)O[Ni] NFV ni-fe oxidized active center +CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O NFW (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4 NFX 7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-] NFZ nitrofurazone +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O NG1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C NG2 n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N NG3 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NG4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NG5 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NG6 2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 NG7 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide +[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F NG8 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O NGA 2-acetamido-2-deoxy-beta-d-galactopyranose +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O NGB 4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGC n-glycolyl-alpha-neuraminic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N NGD 3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGE n-glycolyl-beta-neuraminic acid +C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O NGF 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid +CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC NGH n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O NGI 2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine +CCC1=Cc2c(cccc2N)C(=O)N1 NGJ 5-amino-3-ethylisoquinolin-1(2h)-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O NGK 2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O NGL acetylgalactosamine-4-sulfate +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGM nogalamycin +[NH4+] NGN nitrogen +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O NGO 2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC NGP nogalamycin (protonated form) +[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O NGQ n-carbamimidoyl-l-glutamic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O NGR 3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NGS 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose +CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGT 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGU u-58872, hydroxy derivative of nogalamycin +CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC NGV methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate +C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGW (2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O NGY 2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O NGZ 2-acetamido-2-deoxy-alpha-l-glucopyranose +[NH] NH amino substitution group +Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O NH1 3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one +[NH2] NH2 amino group +N NH3 ammonia +[NH4+] NH4 ammonium ion +c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl NH5 n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4 NH6 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O NH7 2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide +Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O NH8 3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O NH9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3 NHB n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide +C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O NHC (1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N NHD nicotinamide purin-6-ol-dinucleotide +C1CCC(CC1)NCCS(=O)(=O)O NHE 2-[n-cyclohexylamino]ethane sulfonic acid +C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O NHF 1,5-anhydro-d-fructose +C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O NHG bis-noreseroline +C1CC(=NN=C(N)N)CCC1=NN=C(N)N NHH n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide +c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O NHI 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid +c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F NHJ 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide +COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO NHK n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O NHL (4s)-4-(2-naphthylmethyl)-d-glutamic acid +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHM s-(2-oxo)pentadecylcoa +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5 NHN (6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide +c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NHO nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline +c1ccc(c(c1)N)SCCCCP(=O)(O)O NHP 4-(2-aminophenylthio)-butylphosphonic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O NHQ (3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHR 2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHS 10-formyl-5,8,10-trideazafolic acid +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NHT (3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N NHU 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O NHV (5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHW 2-oxopentadecyl-coa +C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO NHX n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide +C(=O)(N)NO NHY n-hydroxyurea +[Ni+2] NI nickel (ii) ion +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C NI0 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +[OH2][Ni+2] NI1 nickel ion, 1 water coordinated +[OH2][Ni+2][OH2] NI2 nickel (ii) ion, 2 waters coordinated +[OH2][Ni+2]([OH2])[OH2] NI3 nickel (ii) ion, 3 waters coordinated +CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C NI5 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O NI7 (4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO NI8 (4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F NI9 3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] NIA ((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate +C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O NIC nitroisocitric acid +c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O NID 4-nitro-inden-1-one +CC[N+](=O)[O-] NIE nitroethane +CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 NIF 2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O NIG n-(iminomethyl)-l-glutamic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO NIH 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide +CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO NII 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2] NIK pentaaquanickel +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F NIL nilotinib +CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] NIM 4-nitro-2-phenoxymethanesulfonanilide +c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] NIN dinitrophenylene +c1cc(cnc1)C(=O)O NIO nicotinic acid +c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-] NIP 4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N NIQ 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O NIR 3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium +CC(C)[N+](=O)[O-] NIS 2-nitropropane +c1cc(ccc1N)[N+](=O)[O-] NIT 4-nitroaniline +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O NIU 6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NIV nevirapine +Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC NIW 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O NIX nalidixic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O NIY meta-nitro-tyrosine +c1cnccc1C(=O)NN NIZ pyridine-4-carbohydrazide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJ1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5 NJ2 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide +C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJ4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O NJ5 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJ7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N NJ8 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJB ~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5 NJD n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl NJH ~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6 NJK ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO NJM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJN ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NJP 5-hydroxy-nicotinamide-adenine-dinucleotide phosphate +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O NJQ 3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid +C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O NJS itaconyl coenzyme a +CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl NJT 9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F NJV 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide +c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N NJW 5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid +Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O NJX 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NJY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N NJZ [3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate +c1ccc(c(c1)C=O)O NK salicylaldehyde +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5 NK0 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide +C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O NK1 (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol +C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O NK2 (1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol +CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C NK4 (5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine +c1ccc(cc1)n2cc(nn2)C(=O)NO NK5 ~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK7 4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N NK8 4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK9 4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NKA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +c1c2c(c(c(c1Br)Br)Br)[nH]nn2 NKB 5,6,7-tris(bromanyl)-1~{h}-benzotriazole +C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N NKD (2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid +c1cc(c2c(c1Br)[nH]nn2)Br NKE 4,7-bis(bromanyl)-1~{h}-benzotriazole +c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O NKG n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine +COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3 NKH n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide +c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl NKI (2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one +C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4 NKJ (19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1 NKK n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide +CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O NKM (2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKN (2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKO (2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKP (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate +CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKQ (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate +CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O NKR (2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate +Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O NKS n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine +c1cc(c(c2c1nn[nH]2)Br)Br NKT 6,7-bis(bromanyl)-1~{h}-benzotriazole +CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O NKV n-(2-methylpropanoyl)adenosine +c1cc2c(cc1Br)[nH]nn2 NKW 6-bromanyl-1~{h}-benzotriazole +CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] NKX (2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate +CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N NKY 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide +c1cc2c(c(c1)Br)[nH]nn2 NKZ 7-bromanyl-1~{h}-benzotriazole +c1c(cc(c2c1nn[nH]2)Br)Br NL2 5,7-bis(bromanyl)-1~{h}-benzotriazole +c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O NL3 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid +Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C NL4 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide +CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2 NL5 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole +COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NL7 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O NL8 ~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide +B(c1cnn(c1)c2cccc(c2)Cl)(O)O NL9 [1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid +c1ccc2c(c1)cccc2CC(=O)O NLA naphthalen-1-yl-acetic acid +c1ccc(cc1)COCCCC[C@@H](C(=O)O)N NLB 6-(benzyloxy)-l-norleucine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O NLC 2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose +CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C NLD nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate +CCCC[C@@H](C(=O)O)N NLE norleucine +CC(=O)N[C@@H](CCC(=O)O)C(=O)O NLG n-acetyl-l-glutamate +CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O NLH (2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid +[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C NLI n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide +COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLJ 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O NLK (2r,5s)-5-amino-2-butyl-4-oxononanoic acid +c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl NLM 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@@H](C(=O)N)N NLN norleucine amide +CCCC[C@@H](C(=O)OC)N NLO o-methyl-l-norleucine +CCCC[C@H](N)P(=O)(O)O NLP (1-amino-pentyl)-phosphonic acid +CC(=O)N[C@@H](CCC(=O)N)C(=O)O NLQ n~2~-acetyl-l-glutamine +c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLS 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O NLT n-dodecanoyl-l-tyrosine +c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLV 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CC(C)C[C@@H](C(=O)N)N NLW l-leucinamide +C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C NLX (5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium +C(CCNCC(=O)O)CN NLY n-(4-aminobutyl)glycine +c1cc(c(cc1O)O)C(=O)N NLZ 2,4-bis(oxidanyl)benzamide +CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NM1 3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide +C[N+](C)(C)CCCC(=O)O NM2 3-carboxy-n,n,n-trimethylpropan-1-aminium +CC[N+](C)(C)CCCC(=O)O NM3 ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium +COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC NM4 (3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C NM6 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F NM7 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide +CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F NM8 6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C NM9 methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O NMA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine +c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NMB 2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol +C1CC1CNCC(=O)O NMC n-cyclopropylmethyl glycine +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O NMD n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN NME methylamine +CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF NMF 6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione +[H]/N=C(/N)\NCC(=O)O NMG guanidino acetate +CCCCC[C@@H](C)NC=O NMH (r)-n-(1-methyl-hexyl)-formamide +Cn1cc(c2c1cccc2)CCC(=O)O NMI 3-(1-methyl-1h-indol-3-yl)propanoic acid +c1c(nc(cn1)Cl)C(=O)O NMJ 6-chloropyrazine-2-carboxylic acid +CN[C@@H](CCCC[NH3+])C(=O)O NMK n-methyl lysine +CC(=O)NC NML n-methylacetamide +[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N NMM (2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N NMN beta-nicotinamide ribose monophosphate +[N]=O NMO nitrogen monoxide +C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N NMP 2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F NMQ n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +B(=O)(c1cc(cc(c1)Cl)Cl)O NMR [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC NMS 1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O NMT 1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CNC(=O)N NMU n-methylurea +COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NMW [2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O NMX nitromethyldethia coenzyme a +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N NMY neomycin +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N NMZ (2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F NN1 2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide +c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O NN2 1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C NN3 3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC NN4 (1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide +Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5 NN5 [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone +Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C NN7 n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NN8 [2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NNA (1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br NNB o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl NNC o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate +CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NND (2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC NNE n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} +CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F NNF 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one +C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O NNG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose +[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO NNH nor-n-omega-hydroxy-l-arginine +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I NNI o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate +C[n+]1cccc(c1)CN NNJ 3-(aminomethyl)-1-methylpyridinium +C[n+]1ccc(cc1)CN NNK 4-(aminomethyl)-1-methylpyridinium +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl NNL n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine +C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O NNM (3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate +CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C NNN (2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol +c1cc([n+](cc1C(=O)O)[O-])O NNO 6-hydroxyisonicotinic acid n-oxide +CCCCCCCCCC1=CC(=O)c2ccccc2N1 NNQ 2-nonylquinolin-4(1h)-one +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N NNR nicotinamide riboside +CC(=O)Nc1ccc(cc1)O NNS 4-acetyl-aminophenol +C[n+]1ccc(c(c1)CN)Cl NNT 3-(aminomethyl)-4-chloro-1-methylpyridinium +c1cncc(c1Cl)CN NNU 1-(4-chloropyridin-3-yl)methanamine +C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O NNV (1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid +c1cnccc1CN NNW 1-(pyridin-4-yl)methanamine +C[n+]1ccc(cc1CN)Cl NNX 2-(aminomethyl)-4-chloro-1-methylpyridinium +c1cnc(cc1Cl)CN NNY 1-(4-chloropyridin-2-yl)methanamine +C[n+]1ccccc1CN NNZ 2-(aminomethyl)-1-methylpyridinium +[N]=O NO nitric oxide +Cc1c2c(cccc2[nH]c1C(=O)O)CO NO1 4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid +N(=O)[O-] NO2 nitrite ion +[N+](=O)([O-])[O-] NO3 nitrate ion +c1ccc(cc1)CNCCC2=CCCCC2 NO4 n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine +CC(C)[C@@H](C(=O)O)NS(=O)(=O)N NO5 (2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid +C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O NO7 9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine +C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C NO8 (2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide +Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O NO9 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid +c1ccc2c(c1)cccc2OCC(=O)O NOA naphthyloxyacetic acid +[Li]OB(O)OB(O)O NOB (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium +c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N NOC 3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol +C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O NOD n-ethylhydroxy-doxorubicin +CCN=O NOE nitrosoethane +CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NOG 13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O NOH 2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate) +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O NOJ 1-deoxynojirimycin +CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO NOK 2-acetamido-1,2-dideoxynojirmycin +C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C NOL n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide +C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O NOM 7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione +CCCCCCCCC(=O)OC NON methyl nonanoate (ester) +CCCCCCCC(=O)NC1=CC(=O)CCC1 NOO n-(3-oxocyclohex-1-en-1-yl)octanamide +Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O NOP pyridoxal-5'-phosphate-n-oxide +COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN NOQ (1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O NOR cyclohexyl-norstatine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O NOS inosine +C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N NOT 6-azido-l-norleucine +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O NOV novobiocin +[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C NOW nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide +c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O NOX n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide +C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO NOY (2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO NOZ (2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O NP 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid +CCCNO NP0 n-hydroxypropan-1-amine +Cc1ccc(c(c1)[N+](=O)[O-])NCCCN NP1 n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine +c1ccc(c(c1)NCCCN)[N+](=O)[O-] NP2 n-(3-aminopropyl)-2-nitrobenzenamine +c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O NP3 1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O NP4 (5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O NP5 (5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O NP6 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-] NP7 2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC NP8 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O NPA 2-(4-hydroxy-3-nitrophenyl)acetic acid +B(c1cccc(c1)[N+](=O)[O-])(O)O NPB 3-nitrophenylboronic acid +c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O NPC 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +C[C@@H](Cc1cccc2c1cccc2)C=O NPD 2-methyl-3-naphthalen-1-yl-propionaldehyde +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-] NPE 5-(para-nitrophenyl phosphonate)-pentanoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O NPF 2-nitrophenyl beta-d-fucopyranoside +c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O NPG n-succinyl phenylglycine +c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N NPH cysteine-methylene-carbamoyl-1,10-phenanthroline +C(CCC(=O)O)C[C@@H](C(=O)O)N NPI (2s)-2-aminoheptanedioic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O NPJ 4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside +C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O NPK 5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O NPL n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate +c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4 NPM n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine +CCC[N+]#[C-] NPN n-propyl isocyanide +c1cc(ccc1[N+](=O)[O-])O NPO p-nitrophenol +CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C NPP n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine +CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O NPQ n-acetyl naphthylalanine +C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O NPR 2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPS (2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid +CC(C)(C)CN NPT neopentylamine +C[C@H]([C@@H](c1ccccc1)O)N NPU (1r,2r)-2-amino-1-phenylpropan-1-ol +c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O NPV 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N NPW beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPX (2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid +c1ccc2ccccc2c1 NPY naphthalene +Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N NPZ 1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)C(=O)C=C(C2=O)O NQ 2-hydroxynaphthoquinone +c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F NQ1 10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O NQ2 ~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide +C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N NQ4 [[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3 NQ5 2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N NQ7 (5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one +C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C NQ8 (5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5 NQB n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide +Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O NQD (2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid +CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N NQE 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O NQG 5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide +c1cnc(c(c1NCC2CC2)C#N)Cl NQH 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O NQI n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide +Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC NQJ methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate +CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl NQK 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O NQM (1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid +C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQN 2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C NQP 4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQQ 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1ccc2c(c1)C(=O)C=C(C2=O)SCCO NQS 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NQT 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C NQV 4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide +C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQW 5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C NQY 3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide +C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQZ 5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O NR1 (3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N NR2 n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR3 (1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR4 (1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NR5 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl NR7 methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NR8 2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4 NR9 (5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O NRA norathyriol +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C NRB narbomycin +C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN NRD (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid +C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br NRE [(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone +CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl NRF norflurazon +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-] NRG n-omega-nitro-l-arginine +c1ccc2c(c1)c3ccncc3[nH]2 NRH norharmane +C1[C@@H]([C@H](CN1)O)COP(=O)(O)O NRI phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl NRJ methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F NRK (1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide +Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4 NRM n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N NRN (1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol +CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-] NRO 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid +[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O NRP {4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O NRQ {(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4 NRS n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3 NRT 6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine +[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3] NRU ruthenium (iii) hexaamine ion +CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1 NRV n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine +Cc1cc(on1)C(=O)N(C)Cc2cccnc2 NRW n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide +c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F NRY 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C NRZ (2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C NS0 all-trans-1,2-dihydroneurosporene +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS1 15-trans-1,2-dihydroneurosporene +Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl NS2 [(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4 NS3 (3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-] NS4 n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS5 15-cis-1,2-dihydroneurosporene +CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4 NS6 (3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4 NS7 (3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +c1ccc(cc1)/C=C/[N+](=O)[O-] NS8 trans beta nitrostyrene +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O NS9 (2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol +c1ccc(cc1)NC(=O)C(Cl)Cl NSA 2,2-dichloro-n-phenyl-acetamide +C[N+](C)(C)CCCS(=O)(=O)O NSB n,n,n-trimethyl-3-sulfopropan-1-aminium +Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N NSC n,n'-bis(4-amino-2-methylquinolin-6-yl)urea +C(CN)CNCCCN NSD n-(3-aminopropyl)propane-1,3-diamine +c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile +C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O NSG (2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F NSI 3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide +c1cc(cc(c1)O)CN2CCSCC2 NSJ 3-[(thiomorpholin-4-yl)methyl]phenol +C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O NSK n-succinyl lysine +c1ccc(cc1)/N=N/c2ccc(cc2)O NSL 4-hydroxyazobenzene +CN=O NSM nitrosomethane +CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N NSN n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate +Cc1ncc(c(n1)N)CN NSP 5-(aminomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O NSQ 4-nitrophenyl alpha-d-6-sulfoquinovoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N NSS 5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine +c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O NST 3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc(s1)CN2CCNCC2 NSV 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSX n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSY n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4 NSZ n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N NT netropsin +COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC NT1 heparin heptasaccharide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O NT2 2,3,4,6-tetra-o-sulfohexopyranose +[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N NT4 n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide +Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4 NT5 [(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone +Cc1cccc(c1C)NC(=O)CN2CCOCC2 NT7 n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide +CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O NT8 (1-azanyl-1-phosphono-decyl)phosphonic acid +C(C(=O)O)N(CC(=O)O)CC(=O)O NTA nitrilotriacetic acid +CC(C)(C)N NTB tertiary-butylamine +C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O NTC 2-hydroxy-2-nitromethyl succinic acid +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O NTD 2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O NTE [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O NTF n-(trifluoroacetyl)-beta-d-glucopyranosylamine +c1cc(ncc1N2CCCOCC2)C#N NTG 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34 NTH succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester +CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] NTI 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate +CCO[P@H](=O)N(C)C NTJ r-ethyl n,n-dimethylphosphonamidate +CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC NTK 2,3-di(butanoyloxy)propyl butanoate +CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N NTL n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(nc1)C(=O)O)C(=O)O NTM quinolinic acid +c1cnccc1C(=N)N NTN isonicotinamidine +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O NTO trisulfoamino heparin pentasaccharide +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O NTP heparin pentasaccharide +Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F NTQ (1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide +c1cc(c(cc1[C@H](C(=O)O)N)O)O NTR meta-hydroxy beta nor-tyrosine +c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] NTS naphthalene trisulfonate +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NTT [(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N NTU n1,n14-bis((s-methyl)isothioureido)tetradecane +Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2 NTV (2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide +Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N NTW 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile +[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N NTX n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide +c1cc(ccc1[C@H](C(=O)O)N)O NTY beta nor-tyrosine +C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O NTZ nojirimycine tetrazole +CC1=Nc2c(cccc2O)C(=O)N1 NU1 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one +CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4 NU2 (3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione +c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N NU3 2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide +Cc1c(cco1)C(=O)Nc2ccncc2 NU4 2-methyl-n-(pyridin-4-yl)furan-3-carboxamide +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO NU5 3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol +c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N NU6 3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide +CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5 NU7 n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NU8 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F NU9 n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +CCn1cc(cn1)NC(=O)C2CCC2 NUA n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide +CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 NUB 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one +Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUD 4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUE 4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F NUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii) +C1CN(CCC1O)CC2=CCSC2 NUG 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol +CN1C=C(C=CC1=O)c2cccc(c2)OC NUH 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one +Cc1cc(nc(n1)C)N(C)C2CC(C2)O NUJ trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol +c1csc2c1sc(c2)C(=O)O NUK thieno[3,2-b]thiophene-5-carboxylic acid +c1ccnc(c1)C(=O)NCCc2ccc(cc2)O NUM n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N NUP 6-aminouridine 5'-monophosphate +CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F NUQ 5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC NUT 4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC NUW 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide +CC(C)N1CCN(CC1)C(=O)c2cccs2 NUY [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone +Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] NUZ [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone +Cc1cccc(c1N(C(C)C)C(=O)CN)C NV1 2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide +CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4 NV2 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4 NV4 (5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5 NV5 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide +CS(=O)(=O)N1CCN(CC1)Cc2ccco2 NV7 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine +c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4 NV8 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole +CCC[C@@H](C(=O)O)N NVA norvaline +CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC NVB n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide +CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2 NVC n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide +CN(C)c1ccc(cc1)CNn2cnnc2 NVD n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C NVE diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate +c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O NVG 4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one +CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NVH 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +C=C[n+]1cc[nH]c1 NVI 1-vinylimidazole +CCOC(=O)NCc1ccccc1 NVJ ethyl benzylcarbamate +Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 NVK 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea +C[C@H]1CCN(C=CC1)C(=O)c2cscn2 NVM [(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C NVN 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NVP 11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one +CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3 NVQ ~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O NVS 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one +c1ccc2c(c1)c(no2)CC(=O)O NVU 2-(1,2-benzoxazol-3-yl)ethanoic acid +c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVV 7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O NVW n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide +c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVX 7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CCN1CCC(CC1)Nc2ccccc2F NVY 1-ethyl-n-(2-fluorophenyl)piperidin-4-amine +CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O NVZ 5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O NW1 6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine +CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O NW2 2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid +C1CCC(CC1)CCC(=O)N2CCOCC2 NW4 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one +CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O NW5 2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid +CCc1c(c(on1)C)C(=O)Nc2cc(on2)C NW7 3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide +c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl NW8 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine +CC(CCC[N+](C)(C)C)(O)O NWA 4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium +CC(=O)CCC[N+](C)(C)C NWB n,n,n-trimethyl-4-oxopentan-1-aminium +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-] NWD 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 NWE 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid +C(CC(=O)C(=O)O)CN=C(N)N NWG 5-[(diaminomethylidene)amino]-2-oxopentanoic acid +CCCCC[C@H](C)NC=O NWH n-[(2s)-heptan-2-yl]formamide +c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O NWJ 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl NWK 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid +CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N NWL 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione +CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O NWM (3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate +[H-]([Fe](CO)(C#N)C#N)[Ni+2] NWN hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron +C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C NWP (2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NWQ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N NWS moco-amp +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C NWT n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide +Cn1cc(cn1)CNC(=O)c2ccco2 NWV n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N NWW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide +Cc1ccc(cn1)CNC(=O)C2CCC2 NWY n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N NWZ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide +c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl NX1 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl NX2 3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide +c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N NX3 n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide +COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl NX4 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid +c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl NX5 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid +c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O NX6 n-[(benzyloxy)carbonyl]-l-aspartic acid +c1cc(c(c(c1)F)C(=O)N2CCCC2)F NX7 (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N NX8 (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)O NXA n-carboxyalanine +c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N NXB (2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol +CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-] NXC (2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+) +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O NXD methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC(=O)Nc1cc(no1)C(F)(F)F NXE ~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO NXG 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol +CC(C)NC(=O)Nc1ccncc1 NXH 1-propan-2-yl-3-pyridin-4-yl-urea +CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C NXJ (1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide +B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O NXK 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N NXL (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +C1CC1c2nc(on2)CC3CCNCC3 NXM 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine +c1cc(c(cc1Cl)Cl)OCC(=O)NCCS NXN 2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide +C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3 NXP n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide +C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O NXQ 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid +c1cnc(nc1)N2CCC(CC2)CO NXS [1-(pyrimidin-2-yl)piperidin-4-yl]methanol +c1c(c2c(o1)CCCC2)C(=O)O NXT 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C NXU (2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl NXV 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid +CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O NXW 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O NXX 1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium +c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl NXY 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N NXZ 1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one +Cc1nc(cs1)CC(=O)N2CCOCC2 NY1 2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one +c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-] NY2 3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4 NY3 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate +C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N NY4 n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide +c1cc2c(cc1C(=O)O)CCCC2 NY5 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O NY6 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1ccc(c(c1)NC(=O)CN)OC NY7 n-(2-methoxy-5-methylphenyl)glycinamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC NY8 ~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3 NY9 n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea +C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C NYA (1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](C)SC[C@@H](C(=O)O)NC NYB n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O NYC [(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc2cc(c(cc2c1)C(=O)O)N NYE 3-azanylnaphthalene-2-carboxylic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O NYG [(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1CCC(=CC1)[N+](=O)[O-] NYH 1-nitrocyclohexene +Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C NYJ 4,5-dimethyl-3-phenylisoquinolin-1(2h)-one +c1ccc2c(c1)[C@@H](C(=O)N2)CC#N NYK [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile +C=CCNc1ccccc1 NYL n-allyl-aniline +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N NYM 3'-deoxy-3'-aminothymidine monophosphate +C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4 NYN chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O NYO (5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione +C/[N+](=C\C=C)/CC1CCC=CC1 NYP n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium +c1cc2c(cc1Br)CC(=O)N2 NYQ 5-bromanyl-1,3-dihydroindol-2-one +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O NYS s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O NYT beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)n1cc(nc1)S(=O)(=O)N NYV 1-(propan-2-yl)-1h-imidazole-4-sulfonamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N NYW [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N NYZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +COc1ccc2c(c1)nc(s2)N NZ1 5-methoxy-1,3-benzothiazol-2-amine +C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ2 n-(methylsulfonyl)-n-phenyl-l-alanine +C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ3 n-(methylsulfonyl)-n-phenyl-d-alanine +CC(=O)c1cccc(c1)NC(=O)N2CCOCC2 NZ4 n-(3-acetylphenyl)morpholine-4-carboxamide +CC[C@H](CO)O NZ5 (2~{r})-butane-1,2-diol +CN(C)C(=O)N1CCOC[C@]12CCOC2 NZ7 (5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide +c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl NZ8 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea +c1csc(c1S(=O)(=O)NC2CC2)C(=O)O NZ9 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid +c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl NZA 5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F NZB [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +C[C@H]([C@@H](C(=O)O)NC)O NZC n-methylidene-l-threonine +CN1CCN(CC1)C(=O)Nc2ccccc2 NZD 4-methyl-n-phenylpiperazine-1-carboxamide +CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F NZE [(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F NZF (3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +CC(=O)Nc1cc(ccc1F)C(=O)O NZG 3-(acetylamino)-4-fluorobenzoic acid +c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N NZH (2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal +c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O NZI [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N NZJ 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN NZL 5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O NZM cefixime, bound form +CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 NZN n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 NZO nocodazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N NZQ 5,6-dihydroxy-nadp +Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC NZS 6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5 NZT n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide +Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C NZU 6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O NZV ceftriaxone, bound form +C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 NZW ~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O NZY n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name) +CC(=CCC/C(=C\CO)/C)C NZZ (2z)-3,7-dimethylocta-2,6-dien-1-ol +O O oxygen atom +Cc1c(sc(n1)C)c2cc([nH]n2)CN O01 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N O02 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N O04 (e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N O05 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O O08 ~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide +[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N O09 (e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid +Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C O0A 3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide +C[C@@H](CC(F)(F)F)[C@@H](C=O)N O0B (2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl O0D (2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid +C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N O0E (2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide +C[C@@H](CO)Nc1c(cc(cn1)Cl)F O0G (2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol +CC(=O)Nc1ccc(cc1)c2csc(n2)N O0J n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide +CC(C)c1ccc(cc1)CN2CCC(CC2)O O0M 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol +CN(Cc1cccc(c1)F)S(=O)(=O)N O0P n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide +c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36 O0Q ~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide +CC(=O)Nc1ccc(cc1)Oc2ncccn2 O0S n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide +C[C@@H](CO)N(C)c1c(cccn1)F O0V (2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol +Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C O0W 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one +CCN(CC)c1cccc(c1)O O0Y 3-(diethylamino)phenol +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4 O0Z (2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide +CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O O11 (2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol +CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N O12 n~5~-dodecanoyl-l-ornithine +[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N O13 (e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N O14 (e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N O15 (e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid +c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5 O16 3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium +COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N O17 (2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N O18 [(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5 O19 (2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide +CC(=O)Nc1ccc(cc1)N2CCN(CC2)C O1A n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide +C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N O1B (2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C O1C 2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3 +c1ccc(cc1)COc2cccc(c2)N O1D 3-(benzyloxy)aniline +CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3 O1E 5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O O1G 3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco pyranose +c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N O1H 4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)COCC(=O)O O1J (benzyloxy)acetic acid +c1cc(ccc1N2CCN(CC2)C(=O)N)F O1M 4-(4-fluorophenyl)piperazine-1-carboxamide +CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl O1N dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii) +Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5 O1Q 4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4 O1S 6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl O1T [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5 O1V 2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C O1W 6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl O1Y n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N O1Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +O=O O2 oxygen molecule +CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl O21 n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide +CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N O22 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide +c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5 O23 n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide +CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N O25 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC O26 2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1 O27 n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1 O28 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2 O29 n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CNC(=O)c1cccc2c1[nH]cc2 O2A n-methyl-1h-indole-7-carboxamide +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C O2B 3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O O2C 3'-deoxy-cytidine-5'-monophosphate +c1nncn1NC(=O)CC2CCCCC2 O2D 2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide +C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N O2E (2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 O2G 2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine +CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O2H ~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +COC[C@H]1CN(CCO1)c2ccccn2 O2J (2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine +CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C O2K ~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide +Cc1csc(n1)CNC(=O)c2ccn[nH]2 O2M n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide +COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5 O2N 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1ccc(c(c1)O)NC(=O)c2ccccc2C O2P n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide +Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F O2Q ~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H](CC(C)C)C(=O)O)S O2S (2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-] O2T [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@H]([C@@H](CC(C)C)C(=O)O)S O2V (2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid +COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N O2W methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate +c1cc(c(nc1)C(=O)O)SCC(=O)O O2Y 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN O2Z [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1 O30 n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C O31 (3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide +Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5 O32 (4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C O33 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O O34 yersiniabactin +Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C O35 ~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F O37 n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide +Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N O38 6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile +CN(c1ccccc1)C(=O)[C@H]2CCNC2 O3A (3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide +B(c1ccc(cc1)S(=O)(=O)N)(O)O O3B (4-sulfamoylphenyl)boronic acid +c1cc(oc1)CN2CCS(=O)(=O)CC2 O3D 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione +CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O3E ~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +c1ccc(cc1)CNCc2ccc(cc2)F O3G n-benzyl-1-(4-fluorophenyl)methanamine +c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4 O3H 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one +CC(=O)N1CCN(CC1)CCCc2ccccc2 O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one +c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O O3M 4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol +C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O O3N (2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C O3P n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide +CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN O3S n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C O3V 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +CN(CCS)C(=O)c1ccccc1 O3W ~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C O3Y 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O O3Z (2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O O40 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid +CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 O41 5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N O42 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6 O43 4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide +C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5 O44 4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride +CC(=C)CONC(=O)C(=O)O O45 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid +[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC O47 3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide +CCCCCCCCCCOS(=O)(=O)N O48 decyl sulfamate +Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2 O4A n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide +C1COCCOCCOCCOCCOCCO1 O4B 1,4,7,10,13,16-hexaoxacyclooctadecane +Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C O4D 2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide +CN(CCS)C(=O)c1cccc(c1)Br O4E 3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4 O4G n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide +[OH2][Mn+2]([OH2])([OH2])[OH2] O4M manganese tetrahydrate ion +CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 O4N 5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC O4P n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide +C/C(=C\Cl)/CC=O O4Q (~{e})-4-chloranyl-3-methyl-but-3-enal +CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5 O4S n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide +C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C O4T ~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide +CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N O4V 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine +CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C O4W 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one +C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O O4Y (2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid +c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O4Z 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl O51 (3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide +CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 O53 (2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one +CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C O54 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea +c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N O55 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F O57 10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl O58 {4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid +C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N O59 octane-1,8-diyl disulfamate +c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F O5A trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O O5B trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC O5D [3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone +c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3 O5E (2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC O5G {(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N O5H 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea +COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4 O5J 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione +c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O5K 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F O5M {(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F O5N 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4 O5P [(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone +CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C O5S 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br O5T 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN O5U (2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O O5W [(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4 O5Y 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N O5Z (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N O60 decane-1,10-diyl disulfamate +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5 O61 n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O O62 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid +CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F O64 2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide +Cc1c(cc(cc1CO)C(=O)O)CO O65 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br O67 n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide +CN(CCS)C(=O)c1ccc(cc1)F O68 4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4 O6A n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide +Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C O6D (2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C O6E 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6G n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide +Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C O6H 2,4,6-trimethyl-l-phenylalanine +CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6J n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O O6K ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N O6M 3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O O6P doripenem +c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O O6S (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O6T biotc4-1 cofactor +C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4 O6V (1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate +c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F O6W 4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3 O6Y 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile +CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2 O6Z ~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O O71 (4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid +c1cc2ccnc(c2nc1)N O72 1,7-naphthyridin-8-amine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-] O73 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione +c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl O74 6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one +CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3 O75 n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N O77 n-[(3s)-3-amino-3-carboxypropyl]-l-histidine +[H]/N=C\1/CCCC(=C1)C(=O)O O78 (3z)-3-iminocyclohex-1-ene-1-carboxylic acid +C[C@@H]([C@@H](C(=O)O)NC)O O7A n-methyl-l-allothreonine +c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5 O7B (3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one +CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O O7D 4-methoxy-n-methyl-l-tryptophan +CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7E 6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate) +CC(C)[C@@H](C(=O)O)N(C)C O7G n,n-dimethyl-l-valine +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O O7J n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid +CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C O7K pyrazinoquinolinone +COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7M 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN O7N 1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C O7P 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O7Q biotc5-1 cofactor +C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O O7S (3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione +C1=C[P@](=O)(NC(=O)N1)N O7U (2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C O7V (2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O7Y (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 O7Z 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F O80 n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine +[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O O81 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CNCc1ccc2c(c1)c3ccccc3n2CCF O82 1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +CNCc1ccc2c(c1)c3ccccc3n2CC(F)F O83 1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O O84 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +CN(CCS)C(=O)c1cccc(c1)F O85 3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F O8A n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide +Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C O8B 2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide +C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O O8D (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-] O8G 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I O8H 4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C O8J (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C O8K (4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N O8M 2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCO O8N octacosan-1-ol +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C O8P (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N O8Q 5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C O8S (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N O8T 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O8V (2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8W 5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCCCC=O O8Y hexanal +CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8Z 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O O90 {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid +Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC O91 [2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N O92 3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide +Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F O95 {(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone +CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2 O96 n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4 O97 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide +CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O98 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C O9A 5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +CN1CCCC[C@@H]1C(=O)O O9B (2~{r})-1-methylpiperidine-2-carboxylic acid +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9D 5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide +CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC O9E ~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3 O9G 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide +CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C O9H [(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3 O9J 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide +CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC O9K [(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3 O9M 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide +COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N O9N methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C O9P 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide +Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O O9Q 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C O9S 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide +Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O O9T 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9V 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide +Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl O9W (~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3 O9Y 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F O9Z 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one +c1cc(cc(c1)Br)C(=O)c2cnc(o2)N OA1 (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone +c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N OA2 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide +CC1(Cc2c(c(ncn2)N)C(=O)C1)C OA3 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one +Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 OA4 5-methyl-6-phenylquinazoline-2,4-diamine +c1ccc(cc1)OCCOc2nc(nc(n2)N)N OA5 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine +c1cc(ncc1C(=O)O)O OA7 6-hydroxypyridine-3-carboxylic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O OA8 {[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid +C(C(=O)C(=O)O)C(=O)[O-] OAA oxaloacetate ion +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C OAB {[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid +CC(Cc1ccccc1O)C(=O)O OAC trans-o-hydroxy-alpha-methyl cinnamate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OAD 2'-o-acetyl adenosine-5-diphosphoribose +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C OAE (2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C(=O)(C(C(C(=O)O)(F)F)(O)O)O OAF 2,2-difluoro-3,3-dihydroxybutanedioic acid +c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl OAG 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N OAH 9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine +c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O OAI 6-(oxalyl-amino)-1h-indole-5-carboxylic acid +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O OAJ (3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OAK n-(phenylcarbonyl)-beta-d-glucopyranosylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O OAL (1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid +Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C OAM 4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OAN o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3 OAP 4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid +CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OAQ {(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +[H]/N=C(/N)\NCCC[C@@H](CO)N OAR n-(4-amino-5-hydroxy-pentyl)-guanidine +CC(=O)OC[C@@H](C(=O)O)N OAS o-acetylserine +CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N OAV 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide +Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C OAW 2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one +c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl OAX 4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide +c1ccc(c(c1)COC(=O)O)N=[N+]=[N-] OAZ (2-azidophenyl)methyl hydrogen carbonate +c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB1 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB2 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB3 (1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB4 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB5 (1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB6 (1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB7 (1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O OB8 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB9 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O OBA 2-(oxalyl-amino)-benzoic acid +c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OBB 3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F OBC 2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O OBD 4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-] OBE 3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +C([C@@H](C(=O)O)N)C(F)F OBF (2s)-2-amino-4,4-difluorobutanoic acid +c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N OBG 6-(benzyloxy)-9h-purin-2-amine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O OBH cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O OBI 1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N OBL 5-methoxybenzimidazolyl-norcobamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O OBM 4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O OBN ouabain +c1ccc(c(c1)c2ccccc2[S@@](=O)O)O OBP 2'-hydroxy-1,1'-biphenyl-2-sulfinic acid +CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3 OBQ (3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O OBS (z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O OBT (1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O OBV 12,18-didecarboxy-siroheme +c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O OBW 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4 OBY 5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide +c1ccc(cc1)CON OBZ o-benzylhydroxylamine +[OH2][Ca+2] OC1 calcium ion, 1 water coordinated +[OH2][Ca+2][OH2] OC2 calcium ion, 2 waters coordinated +[OH2][Ca+2]([OH2])[OH2] OC3 calcium ion, 3 waters coordinated +[OH2][Ca+2]([OH2])([OH2])[OH2] OC4 calcium ion, 4 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2] OC5 calcium ion, 5 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2] OC6 calcium ion, 6 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC7 calcium ion, 7 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC8 calcium ion, 8 waters coordinated +CCCCCCCCO OC9 octan-1-ol +CCCCCCCC(=O)O OCA octanoic acid (caprylic acid) +CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C OCB octanoylcarnitine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C OCC 2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3 +CCCCCCCCCCCCCCCCCC=O OCD octadecanal +C(CCCC(=O)O)CCC(=O)O OCE octanedioic acid +Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4 OCG 5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C=CC(=O)N2 OCH quinolin-2(1h)-one +c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N OCJ 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C OCK (3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +[OH2][Co+2] OCL cobalt ion, 1 water coordinated +[OH2][Co+2]([OH2])[OH2] OCM cobalt ion, 3 waters coordinated +[OH2][Co+2][OH2] OCN cobalt ion, 2 waters coordinated +[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2] OCO cobalt ion,6 waters coordinated +CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC OCP octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester +C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N OCQ (3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one +CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O OCR (5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid +C([C@@H](C(=O)O)N)S(=O)(=O)O OCS cysteinesulfonic acid +CCCCCCCC OCT n-octane +CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N OCV n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine +Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC OCW methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate +CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O OCX (5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid +C(CSC[C@@H](C(=O)O)N)O OCY hydroxyethylcysteine +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N OCZ (1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN OD1 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide +CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O OD2 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN OD4 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid +C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC OD8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol +C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O ODA 9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N ODB (10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CCCCC\C=C/C=C/CCCCCCCCC(=O)O ODD (10e,12z)-octadeca-10,12-dienoic acid +CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC ODE diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 ODG 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile +c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3 ODH n-(furan-2-ylmethyl)quinoxaline-6-carboxamide +C(CCCCO)CCCO ODI octane-1,8-diol +Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C ODJ n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide +c1ccnc(c1)c2cc([nH]n2)C(=O)O ODK 3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid +C[C@H](CCC=C(C)C)CCO ODM (3r)-3,7-dimethyloct-6-en-1-ol +C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O ODN (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one +C/C(=N\O)/c1ccc(cc1O)O ODO 4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N ODP 4-oxo-nicotinamide-adenine dinucleotide phosphate +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C ODQ (3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C ODR (1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol +CN1CCN(CC1)C(=O)O ODS 4-methylpiperazine-1-carboxylic acid +CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O ODT (11e,13e,15z)-octadeca-11,13,15-trienoic acid +C([C@H](O)P(=O)(O)O)N ODV [(1r)-2-amino-1-hydroxyethyl]phosphonic acid +C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O ODW (1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol +CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O ODY (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol +C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O ODZ 2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide +CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3 OE1 2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide +c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O OE2 psammaplin c +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5 OE4 n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 OE5 5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl OE7 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N OE8 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OEA 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N OEB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn] OEC oxygen evolving system +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O OED [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid +C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C OEE ~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br OEF 3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid +C(C(=O)O)OCC(=O)O OEG 2,2'-oxydiacetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl OEH [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O OEJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid +CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C OEK 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid +CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N OEL (6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-l-gulonic acid +CN[C@H](CC(=O)O)C(=O)O OEM n-methyl-d-aspartic acid +C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2 OEN biapenem imine hydrolysis product +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O OEP 3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O OEQ biapenem enamine hydrolysis product +O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36 OER sr-mn4-o5 cluster +CCCCCCCC[S@@](=O)CCO OES n-octyl-2-hydroxyethyl sulfoxide +C[CH2] OET ethyl group +Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl OEU n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide +CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO OEV (1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O OEW ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36 OEX ca-mn4-o5 cluster +O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3 OEY ca-mn4-o6 cluster +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4 OEZ ~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide +[OH2][Fe+2] OF1 ferrous ion, 1 water coordinated +O([Fe+3])[Fe+3] OF2 2 ferric ion, 1 bridging oxygen +[OH2][Fe+3] OF3 ferric ion, 1 water coordinated +c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OF4 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC OF5 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone +c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OF7 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid +CC(=O)c1cc(c2n1cccn2)c3ccccn3 OF8 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OFB 3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F OFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N OFD [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid +O=[Fe] OFE iron(ii) oxide +c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O OFF 2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F OFG 3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F OFH (4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide +CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O OFI n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N OFJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid +CC(=O)c1cc(c2n1cccn2)c3ccccc3 OFK 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F OFL o-trifluoromethylphenyl anthranilic acid +C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O OFM [(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O OFN ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate +O[Fe]O[Fe] OFO hydroxy diiron-oxo moiety +C1C2CC3CC1CC(C2)C3(CO)N OFQ (2-azanyl-2-adamantyl)methanol +CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 OFT (3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide +C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N OFW (2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide +[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3 OFZ 1-(2-adamantylmethyl)-3-ethyl-guanidine +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N OG1 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid +[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2 OG2 1-(1-adamantyl)-3-ethyl-guanidine +c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OG4 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid +c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O OG5 (3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide +c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N OG7 2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid +[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2 OG8 1-(1-adamantylmethyl)guanidine +C(C(=O)O)NC(=O)C(=O)O OGA n-oxalylglycine +COC(=O)c1cccc2c1ccnc2 OGB methyl isoquinoline-5-carboxylate +c1cc(ncc1Br)NC(=O)NCCO OGE 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea +C(COCC(=O)N)OCC(=O)N OGG 2-(2-carbamoylmethoxy-ethoxy)-acetamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N OGH 4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O OGJ (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol +CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O OGK (1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid +COC(=O)NCCCCc1[nH]c(cn1)CO OGM methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OGN [(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O OGQ [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O OGS 4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside +CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O OGT 2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O OGX 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine +c1ccc(cc1)CCCc2[nH]cc(n2)CO OGY [2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol +c1cc(cc(c1)C(F)(F)F)CN OGZ [3-(trifluoromethyl)phenyl]methanamine +[OH-] OH hydroxide ion +c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO OH1 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide +CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2 OH4 {2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol +C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O OH5 (2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid +CC(=O)NCCCCc1[nH]cc(n1)CO OH7 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide +CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC OH8 ~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide +CCCCCCC(=O)CCCCCCCCC(=O)O OHA 10-oxohexadecanoic acid +c1ccc(c(c1)C(=O)N)O OHB salicylamide +C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N OHD {(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCO OHE hydroxyethyl group +Cc1[nH]cc(n1)CO OHG (2-methyl-1h-imidazol-4-yl)methanol +CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O OHH 2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid +C1=NC(=O)N=C1C[C@@H](C(=O)O)N OHI 3-(2-oxo-2h-imidazol-4-yl)-l-alanine +CCCCc1[nH]cc(n1)CO OHJ (2-butyl-1h-imidazol-4-yl)methanol +CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4 OHK ~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide +COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO OHL n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O OHM 3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O OHN n-3-oxo-dodecanoyl-l-homoserine lactone +C1CCC(CC1)NC(=O)O OHO cyclohexane aminocarboxylic acid +c1ccc(c(c1)CC(=O)O)O OHP (2-hydroxyphenyl)acetic acid +C([C@H](C(=O)O)N)C(=O)OSC(=O)O OHS o-(carboxysulfanyl)-4-oxo-l-homoserine +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 OHT 4-hydroxytamoxifen +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O OHU 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate) +c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO OHV benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F OHW 4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine +N[Os](N)(N)(N)(N)N OHX osmium (iii) hexammine +CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C OHY 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one +c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F OHZ 1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea +CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-] OI1 3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O OI7 1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose +c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O OIA [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid +C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O OIC octahydroindole-2-carboxylic acid +c1cn(cn1)CCCCCCCCCC(=O)O OID 10-(1h-imidazol-1-yl)decanoic acid +CC[C@H](C)[C@@H](C(=O)O)O OIL (2s,3s)-2-hydroxy-3-methylpentanoic acid +CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N OIM [(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 OIN (1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate +c1cn(cn1)CCCCCCCC(=O)O OIO 8-(1h-imidazol-1-yl)octanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O OIP 2'-deoxy-inosinic acid +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S OIR n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine +Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O OIS (s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl OJ1 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one +c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F OJ2 1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea +c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N OJ4 4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide +c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 OJ5 4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine +Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl OJ7 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole +c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O OJ8 (s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol +CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F OJA 1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate +CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C OJB 5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide +c1ccc(cc1)CC[C@@H]2CC(=O)NC2 OJD (4r)-4-(2-phenylethyl)pyrrolidin-2-one +c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO OJG n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide +C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4 OJH ~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 OJJ methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +c1c(c(cc(c1O)Cl)O)CN OJK 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol +CCOC(=O)CCc1[nH]cc(n1)CO OJM ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate +C=CC(=O)NCCCCc1[nH]cc(n1)CO OJP n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O OJQ [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O OJT (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O OJW (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid +c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO OJY 5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline +c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O OK1 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O OK2 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O OK3 (4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C OK4 n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O OK5 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid +CC(=O)Nc1cccs1 OK7 n-(thiophen-2-yl)acetamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O OK8 (2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid +C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O OKA okadaic acid +COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O OKD n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid +COc1cccc(c1O)CO OKE 2-(hydroxymethyl)-6-methoxy-phenol +C(CC(=O)O[O-])C(=O)O OKG 4-peroxy-4-oxobutanoic acid +c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl OKH 2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl OKI (2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide +c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ (2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal +CCNc1nc(nc(n1)O)NC(C)C OKM 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O OKN 5'-methyl-2'-deoxycytidine-5'-phosphorothioate +C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C OKO n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide +B(CCCCCNCCCN)(O)O OKP {5-[(3-aminopropyl)amino]pentyl}boronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O OKQ 2'-o-methylcytidine-5'-phosphorothioate +C(CCCC(=O)NO)CCCN OKS 8-amino-n-hydroxyoctanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O OKT 2'-o-methyluridine-5'-phosphorothioate +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F OKV 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F OKY 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O OKZ 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide +c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O OL1 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N OL2 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1 OL3 n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2 OL4 n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1 OL5 n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OL7 methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate +c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3 OL8 ~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide +CCCCCCCC\C=C/CCCCCCCC(=O)O OLA oleic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O OLB (2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O OLC (2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br OLD 3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine +CC(C)C[C@@H](C(=O)O)O OLE 2-hydroxy-4-methyl-pentanoic acid +Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O OLF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)O OLI oleic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C OLJ (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O OLM olmesartan +CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O OLN (s)-2-acetamido-5-ureidopentanoic acid +Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO OLO olomoucine +CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO OLP 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine +COc1ccc(c(c1F)C(=O)N)F OLQ 2,6-difluoro-3-methoxybenzamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2 OLS n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine +C[C@H]([C@@H](C(=O)O)N)OC OLT o-methyl-l-threonine +c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3 OLU 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C OLV cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3 OLW 3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile +Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OLY methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate +C(COC[C@@H](C(=O)O)N)N OLZ o-(2-aminoethyl)-l-serine +COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4 OM1 (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium +CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3 OM2 (r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium +C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4 OM3 (r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium +COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl OM4 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene +CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C OM7 (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide +c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F OM8 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide +CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O OMA 10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid +[CH2][O] OMB oxymethylene bridging group +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O OMC o2'-methylycytidine-5'-monophosphate +c1cc(c(cc1O)CC(=O)O)O OMD 2-(3,6-dihydroxyphenyl)acetic acid +C[O] OME methoxy group +COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl OMF 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O OMG o2'-methylguanosine-5'-monophosphate +CO[P@](=O)(O)OC[C@@H](C(=O)O)N OMH o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine +CN1CC(=O)c2c1cccc2 OMI 1-methyl-1,2-dihydro-3h-indol-3-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O OMJ (3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F OMK (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl OMM 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid +Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F OMN 4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol +O[Mo+6](=O)O OMO mo(vi)(=o)(oh)2 cluster +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O OMP orotidine-5'-monophosphate +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OMR [(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C OMS 1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CS(=O)(=O)CC[C@@H](C(=O)O)N OMT s-dioxymethionine +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O OMU o2'-methyluridine 5'-monophosphate +CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C OMV 1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F OMW 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide +c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O OMX (betar)-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O OMY (betar)-3-chloro-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O OMZ (betar)-3-chloro-beta-hydroxy-d-tyrosine +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O ON0 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside +c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl ON1 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl ON2 n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide +Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC ON3 1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ON4 1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O ON5 (z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid +c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl ON6 (2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one +Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC ON7 {1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid +[H]/N=C(/N)\NOCC[C@@H](C=O)N ON8 1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine +CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC ON9 3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONA 3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) +c1ccc2c(c1)C=Cc3ccccc3N2 ONB 5h-dibenzo[b,f]azepine +Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5 ONC 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one +c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N OND 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O ONE 1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O ONG {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone +C(C[C@@H](C(=O)O)N)CNO ONH n~5~-hydroxy-l-ornithine +Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3 ONJ (1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O ONK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(=O)CC[C@@H](C(=O)O)N ONL 5-oxo-l-norleucine +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONM 3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate +c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N ONN 2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid +CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC ONO 2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F ONP o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +COc1ccc(cc1)C(=O)NCC(=O)N ONQ ~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide +c1cc(c(cc1Cl)c2ccno2)O ONR 4-chloro-2-isoxazol-5-yl-phenol +Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl ONS (2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid +C[C@@H](COCCOC)N ONT (2~{s})-1-(2-methoxyethoxy)propan-2-amine +c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O ONV 4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid +C[C@H](CO[C@H](C)COCCOC)N ONW (2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O ONX n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C ONY 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide +c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O ONZ 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid +Cc1ccc(cc1)NC(=O)O OO1 (4-methylphenyl)carbamic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO2 [(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OO4 methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO5 [(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4 OO7 n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea +c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O OO8 [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid +CCCCCC(=O)CC(=O)O OOA 3-oxooctanoic acid +c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O OOB 5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine +CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OOC octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4 OOD 2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N OOE 2',2'-difluoro-3',3'-cgamp +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl OOF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +C(CC(=O)C(=O)O)CC(=O)O OOG 2-oxoadipic acid +CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O OOH 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione +CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1 OOJ n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl OOK 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O OOM n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide +CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOO ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O OOP 1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOQ (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate +CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOS (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide +CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOU (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide +CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOV (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C OOW {[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid +c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5 OOY n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide +CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C OOZ (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN OP0 (2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O OP1 1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline +C(COCCOCCOCCOCCOCC(=O)O)O OP2 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid +CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F OP4 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC OP5 (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OP7 methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C OP8 (1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone +C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OPA 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 OPB 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione +CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC OPC (7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide +CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O OPD 9r,13r-12-oxophytodienoic acid +C(COP(=O)(O)O)N OPE phosphoric acid mono-(2-amino-ethyl) ester +CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O OPF (2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O OPG oxiranpseudoglucose +COC(=O)[C@H](Cc1ccccc1)O OPH 2-hydroxy-3-phenyl-propionic acid methyl ester +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O OPI pantothenyl-aminoethanol-11-pivalic acid +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OPJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N OPK (2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid +C[C@H]([C@H](C=O)O)C(O)O OPL (2r,3r)-2,4,4-trihydroxy-3-methylbutanal +CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O OPM pentyl alpha-d-mannopyranoside +c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O OPN {(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid +c1ccc(c(c1)[N+](=O)[O-])O OPO o-nitrophenol +C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O OPP 1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione +CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O OPQ ((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide) +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N OPR (5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid +C(CSC(=O)CC[S-])C=O OPS 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate +c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5 OPT s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide +C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPV ~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC OPW ~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide +C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O OPX (1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid +C1CCN(CC1)C(=O)[C@H](CCN)N OPY (3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine +C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPZ ~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O OQ1 (3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ2 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O OQ5 20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQ7 methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ8 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O OQB 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid +c1cc(c(cc1CN)Cl)c2ccoc2 OQC [3-chloranyl-4-(furan-3-yl)phenyl]methanamine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQD (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O OQE [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +CCNC(=O)CCC(=O)c1ccccc1 OQH ~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide +COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl OQJ n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide +Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F OQM 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide +CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N OQN 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N OQQ 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OQR {(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F OQS n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide +c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F OQT 2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F OQW 2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQY (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N OQZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C OR1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O OR4 [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O OR5 open form of ribofuranose-5'-phosphate +CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl OR7 2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C OR8 2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide +CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O OR9 (6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol +c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O ORA 7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid +Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F ORB n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide +Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C ORC (r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide +C(C[C@H](C(=O)O)N)CN ORD d-ornithine +c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F ORE 4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid +C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N ORG 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile +c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F ORH 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile +c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O ORI 4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid +CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F ORJ 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O ORK (2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid +CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl ORM 2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide +C(C[C@@H](C(=O)O)N)CN ORN l-ornithine +C1=C(NC(=O)NC1=O)C(=O)O ORO orotic acid +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O ORP 2-deoxy-5-phosphono-ribose +CC(=O)NCCC[C@@H](C(=O)O)N ORQ n~5~-acetyl-l-ornithine +CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C ORS dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium +C(CC(=O)NN)[C@@H](C=O)N ORT (4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC ORV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1 ORW 1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O ORX n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine +[Os+3] OS osmium ion +c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O OS1 ruthenium octasporine +C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS2 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS3 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +[Os+4] OS4 osmium 4+ ion +c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N OS5 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N OS6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N OS7 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC OS8 (4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide +c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O OSA 7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid +c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O OSB 2-succinylbenzoate +c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O OSC (2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N OSD 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine +C([C@@H](C(=O)O)N)OS(=O)(=O)O OSE o-sulfo-l-serine +CCCCCCCCOS(=O)(=O)[O-] OSF octyl sulfate +CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSG 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine +CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSJ 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine +C([C@H](C(=O)O)O)OS(=O)(=O)O OSL (2r)-2-hydroxy-3-(sulfooxy)propanoic acid +C(N)[S@@H]=O OSM 1-(oxidosulfanyl)methanamine +C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC OSN (4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one +c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N OSP sulthiame +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F OSQ (3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide +C(CCC(=O)O)C[C@@H](CCSCN)SSCCO OSS 6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid +CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC OST methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OSU n-octanoylsucrose +CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O OSV ruthenium octasporine 4 +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N OSW metala-carborane di-propyl-sulfonamide +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N OSY 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N OSZ 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C OT1 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O OT2 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N OT4 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl OT5 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone +c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F OT8 ~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine +C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OTA 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid +CC(C)(C)OC(=O)O OTB tertiary-butoxyformic acid +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O OTC oxytetracycline +C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O OTD 2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid +CCCCCCCCOCCOCCOCCOCCO OTE 2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol +c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F OTF (1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O OTG 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose +C[C@H]([C@@H](C(=O)O)NC)OC OTH n,o-dimethyl-l-threonine +COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl OTJ methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate +CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C OTK (3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl OTM (2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide +c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O OTN 2-nitrophenyl 1-thio-beta-d-galactopyranoside +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C OTP (2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate +c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-] OTQ (2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1cc(ccc1[C@H](CN)O)O OTR 4-(2r-amino-1-hydroxyethyl)phenol +c1cc(ccc1[C@@H](CN)O)O OTS 4-(2s-amino-1-hydroxyethyl)phenol +C/C=C/C=C/C=C/C(=O)O OTT (2e,4e,6e)-octa-2,4,6-trienoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O OTU 3-o-alpha-d-glucopyranosyl-d-fructose +Cc1cc(nc2c1cc(cc2)N)N OTW 4-methylquinoline-2,6-diamine +c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY 2-hydroxy-l-tyrosine +c1c(nc(o1)CN)c2nc(cs2)C(=O)O OTZ 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N OU1 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine +CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 OU2 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N OU4 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4 OU5 (5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N OU7 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine +Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N OUA 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine +c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N OUB (s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione +Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O OUC (3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +C([C@@H](CNC(=O)O)N)C(=O)O OUD (3~{s})-3-azanyl-4-(carboxyamino)butanoic acid +C(CC(=O)O)[C@@H](CNC(=O)O)N OUE (4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N OUG 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1c([nH]cn1)C[C@@H](CNC(=O)O)N OUH [(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid +CC[C@H](C)[C@@H](CNC(=O)O)N OUI [(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N OUJ 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(CC[NH3+])C[C@@H](CNC(=O)O)N OUK [(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium +c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N OUL 4-(4-aminocarbonylphenoxy)benzamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N OUM 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N OUP 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine +CC1(CO[C@@H](CN1)c2cccc(c2)F)C OUQ (2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine +C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N OUR [azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N OUS 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(=O)(N)O OUT carbamic acid +CNc1ccnc(c1)C(=O)NC OUW ~{n}-methyl-4-(methylamino)pyridine-2-carboxamide +COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O OUY methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate +CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2 OUZ ~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV1 n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV2 n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +C(C(=O)O)S[C@H](C(=O)O)N OV7 (2r)-amino[(carboxymethyl)sulfanyl]acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N OV8 [(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C OVA 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N OVB [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N OVE 2'-o-(sulfidophosphinato)adenosine +CCCCOc1ccc2c(c1)occ2CC(=O)O OVG (6-butoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N OVH [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O OVJ {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N OVK [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1cccc(c1)C(=O)O OVM 3-methoxybenzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N OVN [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CSc1cccc(c1)C(=O)O OVP 3-(methylsulfanyl)benzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N OVQ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O OVS (6-phenoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N OVT [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +Cc1cccc(c1)C(=O)O OVV 3-methylbenzoic acid +CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OVW [(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O OVY (2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N OVZ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N OW2 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CNc1cccc(c1)C(=O)O OW4 3-(methylamino)benzoic acid +CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OW5 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CCOc1cccc(c1)C(=O)O OW7 3-ethoxybenzoic acid +CNC(=O)c1c2c([nH]n1)CCC2 OW8 ~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide +CN1C[C@H](CC1=O)CC(=O)OC OWA methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate +CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4 OWB ~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide +c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl OWD {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid +COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC OWG 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one +CNC(=S)c1cccnc1 OWH ~{n}-methylpyridine-3-carbothioamide +Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C OWJ (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N OWK metala-carborane di-ethyl-sulfonamide +c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4 OWL n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N OWM (2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3 OWN methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N OWP (2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2 OWQ 3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N OWS (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O OWT ~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N OWV (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one +C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O OWW 3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide +CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C OWY 4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide +C[C@H]1CO[C@@H](CN1)c2ccccc2Cl OWZ (2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine +O OX bound oxygen +CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O OX1 [2'-carboxylethyl]-10-methyl-anthracene endoperoxide +Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OX2 (1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol +c1cc(ccc1C=NOC(=O)C2CCCCC2)O OX3 4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O OX4 3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O OX5 4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime +CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C OX6 tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C OX7 tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC[O] OXA oxydimethylene group +Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C OXB 3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide +C1(NC(=O)NC(=O)N1)C(=O)O OXC oxonic acid +C(=O)(C(=O)O)O OXD oxalic acid +Cc1ccccc1C OXE ortho-xylene +C12=NC(=O)N=C1N=C(NC2=O)N OXG 8-oxoguanine +CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O OXI oxolinic acid +CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F OXJ 1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O OXK oxalyl-coenzyme a +C(=O)(C(=O)[O-])[O-] OXL oxalate ion +C(=O)(C(=O)O)N OXM oxamic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO OXN oxtoxynol-10 +O OXO oxo group +C\C=C/C(=O)C(=O)O OXP 2-oxo-3-pentenoic acid +c1(c(non1)O)C(=O)O OXQ 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid +CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C OXR 4-oxoretinol +C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O OXS 2-oxalosuccinic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O OXT 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C OXV ~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide +CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F OXW 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile +C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-] OXX oxalyl-aspartyl anhydride +O=O OXY oxygen molecule +C1[C@H]([C@@H]([C@H](ON1)CO)O)O OXZ tetrahydrooxazine +CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C OY0 (2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide +CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC OY2 methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate +CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F OY4 n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY5 ca ix mimic +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY8 metala-carborane di-ethyl-sulfonamide +CCCCCCCC=O OYA octanal +COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2 OYB ~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine +CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO OYD 6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O OYE bn7gpppg mrna 5' cap analog +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C OYG 6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl OYJ (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CNc1c2c(ncn1)n(cn2)C OYK ~{n},9-dimethylpurin-6-amine +CCn1cc(nc1)C[C@@H](C(=O)O)N OYL 1-ethyl-l-histidine +CNc1c2c([nH]cn2)nc(n1)Cl OYN 2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine +CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O OYP 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid +CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N OYQ (4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide +c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N OYS 2-phenyl-n-(4-sulfamoylphenyl)acetamide +CNc1c2c(ncn1)n(cn2)C3CC3 OYT 9-cyclopropyl-~{n}-methyl-purin-6-amine +CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O OYV 1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl OYW 4-cl-bn7gpppg mrna 5' cap analog +CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N OYZ (2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N OZ1 4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC OZ2 (2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O OZ4 (7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one +CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C OZ5 (2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O OZ7 (8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one +c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 OZ8 4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one +CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C OZA (5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO OZD 6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZE (((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate +COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O OZG [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZH (2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid +c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O OZJ 2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N OZK 3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide +c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O OZM (6-benzyl-1-benzofuran-3-yl)acetic acid +Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl OZN 2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide +c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O OZP 9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine +CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC OZQ 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-] OZR n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-] OZS n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +C[C@@H]1[C@H](NC(=O)O1)C(=O)O OZT (4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N OZV 5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine +c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N OZW phenylhydrazinyl phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O OZY (1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-] OZZ n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O P 2'-deoxy-n1,n2-propano guanosine monophosphate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O P00 (2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl P01 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N P02 n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide +C(COCCCOCCO)COCCO P03 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol +c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2 P04 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N P05 d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F P06 dabrafenib +CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5 P07 1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole +Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4 P08 pik-108 +Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O P09 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid +C(CCC(=O)O)C[C@H](C(=O)O)N P0A (2r)-2-aminoheptanedioic acid +CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2 P0B 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O P0C 6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O P0D (2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC P0E phosphatidyl ethanol +c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F P0F 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol +Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O P0G 8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O P0H n-[(benzyloxy)carbonyl]glycyl-l-proline +OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O P0J 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone +CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2 P0K 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O P0L (2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid +CC1(CO[C@@H](CN1)c2ccccc2Cl)C P0N (2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine +Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O P0P [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl P0Q (2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine +OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O P0S 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone +CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O P0T cannabidiol +c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O P0V 9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine +CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 P0W 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N P0Y (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid +CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C P0Z 3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide +c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3 P10 [1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C P11 imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide +[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC P12 4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium +c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN P13 n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine +COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N P14 n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine +COCCOCCOCCOCCOCCOCCO P15 2,5,8,11,14,17-hexaoxanonadecan-19-ol +CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl P16 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl P17 6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one +c1ccc(cc1)C(=O)CCO P18 3-hydroxy-1-phenylpropan-1-one +c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4 P19 n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O P1A 2,3,14,20,22-pentahydroxycholest-7-en-6-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3 P1B (5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O P1C deacetoxycephalosporin-c +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O P1D ((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid +CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F P1E 4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2N P1F 2-(2-azanylphenoxy)-5-hexyl-phenol +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N P1G ((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid +CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O P1H {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O P1J n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine +B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O P1K phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid +CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N P1L s-palmitoyl-l-cysteine +CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br P1M (3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC P1O 1,2-didecanoyl-sn-glycero-3-phosphocholine +C(C[O-])CO[P+](=O)[O-] P1P 3-{[oxido(oxo)phosphino]oxy}propan-1-olate +C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl P1Q 1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol +c1cncnc1 P1R pyrimidine +c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O P1S (6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O P1T 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid +CC(=CCO)C P1W 3-methylbut-2-en-1-ol +COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O P1Y 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 P1Z 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione +c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl P20 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid +COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl P21 4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide +CCO[P@](=O)(O)OP(=O)(O)O P22 ethyl dihydrogen diphosphate +CCCO[P@@](=O)(O)OP(=O)(O)O P23 propyl trihydrogen diphosphate +C(CCNCCN)CN P24 1-(aminoethyl)amino-4-aminobutane +CCCCCO[P@@](=O)(O)OP(=O)(O)O P25 pentyl trihydrogen diphosphate +CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C P26 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid +c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F P27 {[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid) +CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O P28 3',5'-dinitro-n-acetyl-l-thyronine +c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N P29 4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C P2A 1,2-diethanoyl-sn-glycero-3-phosphate +c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4 P2B 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl P2C 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid +CC(=O)CC(=O)C P2D pentane-2,4-dione +CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O P2E (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O P2F 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N P2G (2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid +c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O P2H 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium +CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C P2I 1,2-diacetoyl-sn-glycero-3-phosphoinositol +CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O P2J 9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine +C(COCCOCCOCCOCCOCCO)O P2K polyethylene glycol peg2000 +CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl P2L 4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3 P2M n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O P2N (5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione +C#CCN1CCOC1=O P2O 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O P2P n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine +c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P2Q 2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine +CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O P2S (2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid +CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O P2T 2'-o-propyl thymidine-5-monophosphate +C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O P2U 2'-deoxy-pseudouridine-5'monophosphate +CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N P2X 2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol +C1C[C@H](NC1)CN P2Y (2s)-pyrrolidin-2-ylmethylamine +CN(C)CCCN1c2ccccc2Sc3c1cccc3 P2Z promazine +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6 P30 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea +c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F P31 5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine +CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O P32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile +C(COCCOCCOCCOCCOCCOCCO)O P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol +CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2 P34 n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide +c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O P35 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol +c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3 P36 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one +Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5 P37 n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6 P38 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6 P39 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC P3A phosphatidylglycerol-phosphoglycerol +CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O P3B (3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid +Cl[Pt-](Cl)Cl P3C trichloroplatinate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O P3D (4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O P3E [[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O P3F phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester +CCOCCOCCOCCOCCOCC P3G 3,6,9,12,15-pentaoxaheptadecane +CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O P3H [(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3 P3I n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1cc(cnc1)c2cc([nH]n2)N P3J 3-(pyridin-3-yl)-1h-pyrazol-5-amine +c1cc(c(c(c1)O)O)C#N P3K 2,3-bis(oxidanyl)benzenecarbonitrile +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C P3N n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O P3P (2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid +c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P3Q 2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine +C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N P3S l-methionine-s-sulfoximine phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O P3T (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl P3U 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N P3V (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate +CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC P3Y 5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide +COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O P3Z (s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 P40 n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide +CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F P41 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O P42 (2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F P43 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4 P44 2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl P45 2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O P46 (3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide +c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl P47 (2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid +CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C P48 n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4 P49 1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC P4A 4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol +C[C@@H](N[C@H](CCN)C(=O)O)O P4B (2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid +C(COCCOCCOCCOCCOCCOCC=O)O P4C o-acetaldehydyl-hexaethylene glycol +c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O P4D (2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid +c1ccc(cc1)C=CC[C@@H](C(=O)O)N P4E (2s,4e)-2-amino-5-phenylpent-4-enoic acid +C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O P4F 5,5-difluoro-4-oxo-5-phosphono-d-norvaline +CCOCCOCCOCC P4G 1-ethoxy-2-(2-ethoxyethoxy)ethane +c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O P4H [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O] P4J [(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium +CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO P4K polyethylene glycol +c1ccnc(c1)c2nc3c(c(n2)O)CSCC3 P4L 2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F P4N 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O P4O 2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 P4P tetraphenylphosphonium +c1cc2c(c(ncn2)N)nc1 P4Q pyrido[3,2-d]pyrimidin-4-amine +C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O P4S (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide +Cc1c(sc(n1)Nc2ccccc2)C(=O)C P4T 2-phenylamino-4-methyl-5-acetyl thiazole +CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O P4U 4-propyl, uridine-5'-monophosphate +CN(C)S(=O)(=O)c1cccc2c1ccnc2 P4W ~{n},~{n}-dimethylisoquinoline-5-sulfonamide +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O P4Y 5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid +CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl P4Z (2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC P50 (19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3 P51 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N P52 nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O P53 2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside +Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N P54 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine +CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N P55 2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4 P57 3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole +CN(Cc1ccccc1)C(=S)S P58 benzyl(methyl)carbamodithioic acid +c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F P59 (2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N P5A '5'-o-(n-(l-prolyl)-sulfamoyl)adenosine +CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N P5B n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide +Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N P5C 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide +c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O P5D (2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O P5E [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate +CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O P5F n-propargylglycine-modified flavin adenine dinucleotide +COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O P5G 4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol) +CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C P5H 6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide +Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6 P5J (3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4 P5K 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O P5M 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium +c1cc(ccc1C=O)n2ccnc2 P5N 1-(4-methylphenyl)imidazole +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P5P purine riboside-5'-monophosphate +Cc1ccc(cc1)n2cncn2 P5Q 1-(4-methylphenyl)-1,2,4-triazole +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC P5S o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N P5T meta-nidocarborane propyl-sulfonamide +c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N P5U o-[(4-cyanophenyl)sulfonyl]-l-serine +c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2 P5V (3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one +c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O P5W 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid +c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F P5Y n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide +c1ccc(c(c1)c2c(nco2)C(=O)O)F P60 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid +CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P61 (2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl P62 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione +CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N P63 n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide +CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N P64 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine +Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl P65 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine +c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F P66 4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br P68 1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F P69 (2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3 P6A 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole +c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O P6B (3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol +CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N P6C 2-amino-4-isopropyl-pteridine-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-] P6D 2'-azidocytidine +C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6F 1,6-di-o-phosphono-d-fructose +C(COCCOCCOCCOCCOCCO)O P6G hexaethylene glycol +CS(=O)(=O)c1ccccc1CO P6H (2-methylsulfonylphenyl)methanol +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C P6J n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide +CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC P6L (2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate +C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6M (4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine +C[C@H]1CCc2ccccc2C1=O P6N (2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O P6P 6-o-phosphono-alpha-d-fructofuranose +B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N P6Q meta-carborane propyl-sulfonamide +c1ccc(cc1)COC(=O)O P6S benzyl hydrogen carbonate +C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6T 1,6-di-o-phosphono-d-tagatose +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6U (4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +c1cc(ccc1CN)C(=O)NO P6V 4-(aminomethyl)-n-hydroxybenzamide +C(CC(=O)N)CC(=O)N P6W pentanediamide +c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO P6Y n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide +c1cc(cc(c1)n2ccnc2)C=O P6Z 3-imidazol-1-ylbenzaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O P70 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine +CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P71 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid +[H]/N=C(\c1ccc(cc1)O)/N P72 4-oxidanylbenzenecarboximidamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C P74 tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N P75 4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide +C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O P76 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P77 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine +CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4 P78 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3 P79 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4 P7A 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4 P7B 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C P7C 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea +CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO P7D resminostat +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O P7E 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde +CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3 P7F (2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid +CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P7G 7-propyl, guanosine-5'-monophosphate +B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N P7H meta-carborane di-propyl-sulfonamide +C(CP(=O)(O)O)N P7I (2-aminoethyl)phosphonic acid +CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C P7J 4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide +C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O P7K (3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br P7M n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C P7N ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O P7Q (3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N P7S n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide +C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O P7T 4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde +c1cc(ccc1c2nc(co2)C(=O)NO)Br P7V 2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide +c1ccc(c(c1)/C=C/[N+](=O)[O-])O P7Y 2-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N P7Z ortho-carborane di-propyl-sulfonamide +c1cc(cc(c1)O)/C=C/[N+](=O)[O-] P80 3-[(e)-2-nitroethenyl]phenol +c1cc(ccc1/C=C/[N+](=O)[O-])O P81 4-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N P82 para-carborane di-propyl-sulfonamide +CCn1c2ccccc2c3c1ccc(c3)CNC P83 1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine +CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I P84 2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F P85 n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I P86 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol +C1CCN(C1)C(=O)CC[C@H]2CCOC2 P87 3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one +Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid +CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O P89 [6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N P8B para-carborane propyl-sulfonamide +C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O P8D phosphinate pseudodipeptide l-ala-d-asp +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O P8E 5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O P8G (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol +c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3 P8H 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O P8J methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside +c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N P8M 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C P8N (~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC P8P (2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C P8Q (s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide +C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F P8S heptadecafluoro-1-octanesulfonic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C P8T ~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide +Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N P8V 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3 P8W 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O P8X desmethyl-hba +CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P8Y (2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol +CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C P8Z 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one +c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5 P90 {4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid +Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl P91 8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide +c1ccc2c(c1)NC(=S)O2 P92 3~{h}-1,3-benzoxazole-2-thione +c1cocc1CNC(=O)N2CCCC2 P93 n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N P94 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile +c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3 P95 ~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3 P96 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N P97 d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide +CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4 P98 2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline +c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F P99 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide +C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O P9A 3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N P9B 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2 P9C 3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-] P9D [{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate +c1cc2c(cc1S(=O)(=O)N)NC(=S)O2 P9E 2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O P9G diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum +c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N P9H (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O P9I 1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4 P9J 4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one +CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C P9K n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide +CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3 P9L 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C P9M n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C P9N pregnanolone +c1cc(c(cc1N(=O)=O)Cl)O P9P 2-chloranyl-4-nitro-phenol +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN P9Q (1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol +C([C@H](CSC[C@@H](C(=O)O)N)O)O P9S dihydroxypropylcysteine +c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F P9T [(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P9V (2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol +c1cc(ccc1OCCCn2ccnc2)Cl P9Y 1-[3-(4-chlorophenoxy)propyl]-1h-imidazole +c1ccc(cc1)[As]=O PA0 phenylarsine oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O PA1 2-amino-2-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N PA2 paromomycin (ring 2) +C1[C@H](CO[C@@H]1CO)O PA3 paromomycin (ring 3) +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N PA4 paromomycin (ring 4) +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O PA5 5-phosphoarabinonic acid +CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O PA6 (r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate +CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PA7 n-propyl carboxyamido adenosine +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC PA8 1,2-dioctanoyl-sn-glycero-3-phosphate +CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O PA9 n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine +c1cc(ccc1C(=O)O)N PAB 4-aminobenzoic acid +c1ccc(cc1)CC(=O)O PAC 2-phenylacetic acid +c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O PAD 5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide +C(C(=O)O)P(=O)(O)O PAE phosphonoacetic acid +CC(C)(CO)[C@H](C(=O)[O-])O PAF pantoate +C([C@H](C(=O)O)OP(=O)(O)O)O PAG 2-phospho-d-glyceric acid +C(C(=O)NO)P(=O)(O)O PAH phosphonoacetohydroxamic acid +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O PAI {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid +CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PAJ pantoyl adenylate +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2 PAK 9-cyano paullone +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O PAL n-(phosphonacetyl)-l-aspartic acid +CCCCCC\C=C/CCCCCCCC(=O)O PAM palmitoleic acid +C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O PAN 5-phospho-d-arabinohydroxamic acid +C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O PAO n-(phosphonoacetyl)-l-ornithine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N PAP 3'-phosphate-adenosine-5'-diphosphate +c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N PAQ 2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N PAR paromomycin +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PAS 2-amino-4-oxo-4-phosphonooxy-butyric acid +c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O PAT alpha-phosphono-tryptophan +CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O PAU pantothenoic acid +C[C@@]1(C([C@H](CO1)O)(O)O)O PAV (2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran +C(CNCCNCCNCCN)N PAW n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O PAX 5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate +C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PAY octane-1,3,5,7-tetracarboxylic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O PAZ n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine +[Pb+2] PB lead (ii) ion +CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O PB0 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide +C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O PB1 3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid +c1ccc(cc1)c2ccc(cc2)Cn3ccnc3 PB2 1-(biphenyl-4-ylmethyl)-1h-imidazole +Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C PB3 n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide +Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F PB4 n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide +c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3 PB5 n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide +CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O PB6 3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium +CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C PB7 (2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide +CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C PB8 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide +Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5 PB9 methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate +B(CCc1ccccc1)(O)O PBA phenylethane boronic acid +c1cc(ccc1CSC[C@@H](C(=O)O)N)Br PBB s-(4-bromobenzyl)cysteine +B(c1ccccc1)(O)O PBC phenyl boronic acid +COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2 PBD 1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea +C[N+]1(CCC[C@H]1C(=O)O)C PBE 1,1-dimethyl-prolinium +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N PBF para-(benzoyl)-phenylalanine +c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O PBG 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6 PBH (11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O PBI [2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde +CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PBK 5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +CC(CC(C)(O)O)(O)O PBL pentane-2,2,4,4-tetrol +C[Pb+](C)C PBM trimethyl lead ion +c1ccc(cc1)CCCCN PBN 4-phenylbutylamine +CCCC(=O)c1cccnc1 PBO 1-pyridin-3-ylbutan-1-one +c1cc(ccc1C(=O)CBr)Br PBP p-bromophenacyl bromide +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br PBQ pentabromopseudilin +c1(c(c(c(c(c1Br)Br)Br)Br)Br)O PBR pentabromophenol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O PBS (2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PBT [3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate +CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC PBU (2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate +CCc1cccc(n1)N PBV 6-ethylpyridin-2-amine +C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O PBW (1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +c1cc(c(c(c1O)O)O)Br PBX 4-bromobenzene-1,2,3-triol +c1cc(cc(c1)Cl)Nc2cc(ncn2)N PBY n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine +c1cc(ccc1C(=[NH2+])N)N PBZ p-amino benzamidine +C[N+](C)(C)CCOP(=O)(O)O PC phosphocholine +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C PC0 1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC1 1,2-diacyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC2 di-stearoyl-3-sn-phosphatidylcholine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C PC3 coproporphyrin i containing co(iii) +Cl[Pt-2](Cl)(Cl)Cl PC4 tetrachloroplatinate(ii) +CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC PC5 1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C PC6 7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C PC7 (7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC PC8 1,2-dioctanoyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br PC9 (7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +C1CC(=O)N[C@@H]1C(=O)O PCA pyroglutamic acid +CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl PCB 4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl +C1CC(=O)N[C@@H]1C(=O)O PCC 5-oxoproline +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O PCD (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v) +C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O PCE 2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC PCF 1,2-diacyl-sn-glycero-3-phoshocholine +c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N PCG cyclic guanosine monophosphate +c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O PCH 3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol +c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O PCI pentachlorophenol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC PCJ (2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br PCK (7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide +Cl[Pt]Cl PCL platinum(ii) di-chloride +CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 PCM 1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C PCN 2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O PCO 2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide +C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O PCP 1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl PCQ 3,5,3',5'-tetrachloro-biphenyl-4,4'-diol +Cc1ccc(cc1)O PCR p-cresol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS phenylalanylmethylchloride +C(C(=O)N)P(=O)(O)O PCT phosphonoacetamide +CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PCU cu(ii)meso(4-n-tetramethylpyridyl)porphyrin +C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O PCV 5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC PCW 1,2-dioleoyl-sn-glycero-3-phosphocholine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O PCX deoxyguanidinoproclavaminic acid +Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O PCY pactamycin +CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O PCZ (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[Pd+2] PD palladium ion +CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC PD1 1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea +c1cnc(cc1C(=O)O)C(=O)O PD2 pyridine-2,4-dicarboxylic acid +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N PD3 1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4 PD4 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N PD5 1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3 PD6 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one +CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC PD7 (2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate +c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N PD8 phosphorylated dihydropteroate +CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N PD9 (~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O PDA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid +C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F PDB 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(nc(c1)C(=O)O)C(=O)O PDC pyridine-2,6-dicarboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O PDD n-(5'-phosphopyridoxyl)-d-alanine +C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PDE para-nitrophenyl phosphonobutanoyl d-alanine +C1[C@H](NCC1(F)F)C(=O)O PDF 4,4-difluoro-l-proline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O PDG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid +c1ccc(cc1)C[C@H](CO)N PDH (2s)-2-amino-3-phenyl-1-propanol +C(CO)COP(=O)(O)O PDI phosphoric acid mono-(3-hydroxy-propyl) ester +CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC PDJ (2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC PDK (10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PDL n-(5'-phosphopyridoxyl)-l-alanine +c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O PDM 4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid +C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C PDN 17,21-dihydroxypregna-1,4-diene-3,11,20-trione +C(CO)CO PDO 1,3-propandiol +Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O PDP pyridoxal-5'-diphosphate +Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N PDQ 3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione +Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl PDR 3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine +Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C PDS 3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +C(CS)CS PDT 1,3-propanedithiol +CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PDU 5(1-propynyl)-2'-deoxyuridine-5-monophosphate +O[V]1(O[V](O1)([O-])[O-])([O-])[O-] PDV divanadate ion +COC(=O)[C@H]1CCCN1 PDW methyl d-prolinate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O PDX 2,3-di-o-sulfo-alpha-d-glucopyranose +CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C PDY n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine +c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl PDZ 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one +c1cnc2c(n1)C(=O)NC(=N2)N PE0 pterine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O PE1 n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine +c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N PE2 9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol +CCOCCOCCOCCOCCOCCOCCOCCO PE4 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol +CCOCCOCCOCCOCCOCCOCCOCCOCCO PE5 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol +C(COCCOCCOCCOCCOCCOP(=O)(O)O)O PE6 phosphoryl-hexaethylene glycol +C(COCCOCCOCCOCCOCCOCCS)O PE7 1-deoxy-1-thio-heptaethylene glycol +C(COCCOCCOCCOCCOCCOCCOCCO)O PE8 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol +CCCCCO PE9 pentan-1-ol +c1ccc(cc1)CC[NH3+] PEA 2-phenylethylamine +CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C PEB phycoerythrobilin +CCCCCSSC[C@@H](C(=O)O)N PEC s,s-pentylthiocysteine +CC[C@@H]([C@@H](COP(=O)(O)O)O)O PED pentane-3,4-diol-5-phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC PEF di-palmitoyl-3-sn-phosphatidylethanolamine +C(COCCO)O PEG di(hydroxyethyl)ether +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC PEH di-stearoyl-3-sn-phosphatidylethanolamine +CCCCC(=O)O PEI pentanoic acid +[O-]I(=O)(=O)=O PEJ periodate +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC PEK (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +c1ccc(cc1)CCO PEL 2-phenyl-ethanol +CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl PEM 2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid +OO PEO hydrogen peroxide +C=C(C(=O)O)OP(=O)(O)O PEP phosphoenolpyruvate +C[C@@H](C(=O)O)OP(=O)(O)O PEQ l-phospholactate +[O-][O-] PER peroxide ion +[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N PET 1,5-di(4-amidinophenoxy)-3-oxa-pentane +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO PEU 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PEV (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PEW (1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC PEX 1,2-didecanoyl-sn-glycero-3-phosphoethanolamine +c1ccc2c(c1)ccc3c2cccc3 PEY phenanthrene +CCC(C(=O)O)OP(=O)(O)O PEZ 2-(phosphonooxy)butanoic acid +c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N PF proflavine +Cc1c(cccc1O)C(=O)O PF0 3-hydroxy-2-methylbenzoic acid +Cc1ncc(c(n1)N)CN(CCO)C=O PF1 n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide +c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F PF2 2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine +c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4 PF3 (2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid +COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC PF4 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole +C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N PF5 2,3,4,5,6-pentafluoro-l-phenylalanine +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5 PF6 2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O PF7 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5 PF8 2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5 PF9 2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3 PFA [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil +C(c1c(c(c(c(c1F)F)F)F)F)O PFB 2,3,4,5,6-pentafluorobenzyl alcohol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C PFC phenylferricrocin-iron +CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F PFD 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione +CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO PFE {4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol +c1cc(ccc1C[C@@H](C(=O)O)N)F PFF 4-fluoro-l-phenylalanine +C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O PFG 10-parpargyl-5,8-dideazafolate-4-glutamic acid +COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4 PFH 6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline +CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3 PFI (6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4 PFJ 6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline +COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3 PFK 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline +CC(C)c1cccc(c1O)C(C)C PFL 2,6-bis(1-methylethyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O PFM 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate +C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O PFN fenoprofen +c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F PFO 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine +COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO PFP 2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO PFQ 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol +COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5 PFR 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline +CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C PFS (2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O PFT 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol +C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O PFU (1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O PFV (6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid +COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6 PFW 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline +c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O PFX (2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium +Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl PFY (3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O PFZ 1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane +COCCOCCO PG0 2-(2-methoxyethoxy)ethanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C PG1 penicillin g acyl-serine +CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O PG2 prostaglandin d2 +C(CNC(=[NH2+])N)CO PG3 guanidine-3-propanol +C(COCCOCCOCCO)O PG4 tetraethylene glycol +COCCOCCOCCOC PG5 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane +COCCOCCOCCOCCOCCOC PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N PG7 ((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC PG8 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol) +c1ccc(cc1)[C@H](C(=O)O)N PG9 d-phenylglycine +C(C(=O)O)OP(=O)(O)O PGA 2-phosphoglycolic acid +C(C(=O)NO)OP(=O)(O)O PGC o-phosphoglycolohydroxamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N PGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +C(COCCOCCO)O PGE triethylene glycol +CCOCCOCCOCCOC PGF 2,5,8,11-tetraoxatridecane +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O PGG para-nitrophenylphosphonobutanoyl-glycine +C(C(=O)NO)OP(=O)(O)O PGH phosphoglycolohydroxamic acid +c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O PGI (5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol +CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O PGJ 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PGK (1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +C(N)P(=O)(O)O PGL (aminomethyl)phosphonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O PGM 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N PGN 2'-deoxyguanosine-3',5'-diphosphate +C[C@@H](CO)O PGO s-1,2-propanediol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N PGP guanosine-3',5'-diphosphate +C[C@@H](CO)O PGQ s-1,2-propanediol +C[C@H](CO)O PGR r-1,2-propanediol +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O PGS 2-deazo-6-thiophosphate guanosine-5'-monophosphate +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O PGT (1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PGU n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC PGV (1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC PGW (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO PGX 7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid +c1ccc(cc1)[C@H](C(=O)O)N PGY phenylglycine +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O PGZ methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside +c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O PH0 n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C PH1 1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO PH2 2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one +c1cc(ccc1NC(=N)NO)Cl PH3 n-(chlorophenyl)-n'-hydroxyguanidine +C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O PH4 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O PH5 benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O PH6 (4s)-4-cyclohexyl-l-proline +c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O PH7 (2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid +c1ccc(cc1)CCC[C@@H](C(=O)O)N PH8 5-phenyl-l-norvaline +c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br PH9 (2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid +c1ccc(cc1)C[C@@H](C=O)N PHA phenylalaninal +c1cc(ccc1C(=O)O)O PHB p-hydroxybenzoic acid +C[C@@H](c1ccccc1)N(C)C=O PHC n-methyl-n-(methylbenzyl)formamide +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PHD aspartyl phosphate +c1ccc(cc1)C[C@@H](C(=O)O)N PHE phenylalanine +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 l-phenylalanine c-terminal deprotonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H l-phenylalanine c-terminal protonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH l-phenylalanine free neutral +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW l-phenylalanine free zwitterion +c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL l-phenylalanine - linking embedded fragment +c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 l-phenylalanine n-terminal protonated fragment +O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O PHF hf-oxo-phosphate cluster phf +c1ccc(cc1)[Hg] PHG phenylmercury +C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 PHH 4,5,6,7-tetrachloro-phthalide +c1cc(ccc1C[C@@H](C(=O)O)N)I PHI iodo-phenylalanine +c1ccc(cc1)NC(=O)ON PHJ n-[(aminooxy)carbonyl]-n-phenylamine +c1ccc(cc1)C[C@@H]([C@H](CCl)O)N PHK (2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol +c1ccc(cc1)C[C@@H](CO)N PHL l-phenylalaninol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM (3s)-3-amino-1-chloro-4-phenylbutan-2-one +c1cc2ccc3cccnc3c2nc1 PHN 1,10-phenanthroline +CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C PHO pheophytin a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 PHP (2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid +c1ccc(cc1)COC(=O)Cl PHQ benzyl chlorocarbonate +C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O PHR 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate +OP(=O)O PHS phosphonic acid +c1ccc(c(c1)C(=O)O)C(=O)O PHT phthalic acid +c1ccc(cc1)NC(=O)N PHU 1-phenylurea +COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O PHV n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide +CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6 PHW n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide +c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 PHX 4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid +C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O PHY 1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid +c1ccc(cc1)NN PHZ 1-phenylhydrazine +OP(=O)([O-])[O-] PI hydrogenphosphate ion +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N PI0 (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI1 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O PI2 2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O PI3 11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione +CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI4 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O PI5 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O PI6 [1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O PI7 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O PI8 n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N PI9 (10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N PIA [(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC PIB 2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O PIC 6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid +CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C PID peridinin +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC PIE 1,2-diacyl-sn-glycero-3-phosphoinositol +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIF (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +C(COCCOCCO)O PIG 2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol +c1ccc(cc1)I PIH iodobenzene +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O PII 2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC PIK (2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate +COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl PIL 3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide +c1ccc(cc1)c2cnc[nH]2 PIM 4-phenyl-1h-imidazole +C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O PIN piperazine-n,n'-bis(2-ethanesulfonic acid) +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIO [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate +C1CCNCC1 PIP piperidine +Cn1c2cc(cnc2nc1N)c3ccccc3 PIQ 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine +c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N PIR 2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol +OP(=O)(O)O[P@](=O)(O)[S-] PIS trihydrogen thiodiphosphate +c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O PIT piceatannol +Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C PIU 1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium +CC(C)(C)C(=O)O PIV pivalic acid +c1ccc(cc1)n2ccnc2 PIW 1-phenyl-1h-imidazole +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O PIX 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +c1ccc(cc1)c2[nH]ccn2 PIY 2-phenyl-1h-imidazole +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC PIZ (2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate +CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl PJ1 (2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol +CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O PJ2 (5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid +CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl PJ4 (1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline +C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO PJ5 (1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol +c1c(coc1C(=O)O)N PJ7 4-aminofuran-2-carboxylic acid +CCCCCCCCCCCCCCCCC PJ8 heptadecane +Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O PJA 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid +COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O PJB 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F PJC 3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione +CS(=O)(=O)Cc1c(cccc1Cl)Cl PJD 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene +C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N PJE (e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid +C1C2CC3CC1CC(C2)(C3)NCCN PJG n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine +CNC(=O)c1cccnc1 PJH ~{n}-methylpyridine-3-carboxamide +c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O PJJ (2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid +c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl PJK (3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid +C(/C=N/C(=O)/C=C/O)C(=O)O PJL (3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid +c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F PJM n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +CCN(CC)S(=O)(=O)c1ccc(cc1)C PJP n,n-diethyl-4-methylbenzene-1-sulfonamide +CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO PJQ 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione +Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F PJS n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide +Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O PJT (9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one +c1ccc(c(c1)Oc2cccnn2)Br PJV 3-(2-bromophenoxy)pyridazine +c1ccc2c(c1)-c3ccccc3I2 PJW benzo[b][1]benziodole +CN(C)C(=O)c1cccnc1SC PJY n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide +CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC PJZ (2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate +C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O PK0 4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile +C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O PK1 (5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N PK2 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N PK3 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1cccc(c1F)S(=O)(=O)NC PK4 2-fluoro-n,3-dimethylbenzene-1-sulfonamide +CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C PK5 2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide +CNS(=O)(=O)c1cccs1 PK6 n-methyl-2-thiophenesulfonamide +c1cc(c(cc1CN)Cl)F PK7 1-(3-chloro-4-fluorophenyl)methanamine +c1cc[n+]2c(c1)S[Zn]O2 PK8 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene +CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1 PK9 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate +CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl PKA n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide +CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F PKB 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine +c1ccc(cc1)C[C@@H]([C@@H](CN)O)N PKC (2r,3s)-1,3-diamino-4-phenylbutan-2-ol +c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl PKD (4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid +CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C PKE ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O PKF carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5 PKG (3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5 PKJ n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide +Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl PKL n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C PKM 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C PKP 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one +C[N@@]1CCC[C@H]1C(=O)O PKR (2s)-1-methylpyrrolidine-2-carbaldehyde +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O PKS 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3 PKT tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate +CNC(=O)c1cc(c[nH]1)Br PKU 4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide +B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O PKV [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O PKY [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O PKZ palmitoyl-coa +[H]/N=C(/N)\Nc1ccccc1 PL0 1-phenylguanidine +Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PL1 cobalt (iii)-deglycopepleomycin +[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O PL2 (4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCO PL3 hexadecan-1-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL4 (2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL5 (2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O PL6 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid +c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O PL7 (2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O PL8 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C PL9 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O PLA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl PLB 2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC PLC diundecyl phosphatidyl choline +CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC PLD di-heneicosanoyl phosphatidyl choline +CC(C)C[C@H](N)P(=O)(O)O PLE [(1r)-1-amino-3-methylbutyl]phosphonic acid +C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2 PLF 2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O PLG n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC PLH methylamino-phenylalanyl-leucyl-hydroxamic acid +CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PLI (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +COC(=O)[C@@H]1CCCN1 PLJ methyl l-prolinate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O PLK (3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid +C1C2[Pd]1C2 PLL palladium(ii) allyl complex +CCCCCCCCCCCCCCCC(=O)O PLM palmitic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C PLO (3beta)-3-hydroxypregn-5-en-20-one +Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O PLP pyridoxal-5'-phosphate +C1=CC(=O)C=CC1=O PLQ 1,4-benzoquinone +Cc1c(cnc(c1O)C)COP(=O)(O)O PLR (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O PLS [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O PLT [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane +CC(C)C[C@H](N)P(=O)(O)O PLU leucine phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O PLV n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine +CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N PLW (2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C PLX (9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol +CCCCCCCCCCCCCCCC=O PLY palmitoyl +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O PLZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O PM0 premithramycin b +c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N PM1 [2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone +c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN PM2 1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine +c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O PM3 2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM4 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate +CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM5 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate +c1[nH]c2c(n1)c(ncn2)S PM6 9h-purine-6-thiol +CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C PM7 (5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM8 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate +CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PM9 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid +c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O PMA pyromellitic acid +c1cc(ccc1S(=O)(=O)O)[Hg] PMB para-mercury-benzenesulfonic acid +c1cc(c(nc1)C(=O)O)CP(=O)(O)O PMC 3-(phosphonomethyl)pyridine-2-carboxylic acid +c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N PMD [n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine +COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N PME n-l-alpha-aspartyl l-phenylalanine 1-methyl ester +c1ccc(cc1)CS(=O)(=O)F PMF phenylmethylsulfonyl fluoride +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O PMG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O PMH (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)CC(C2)(N)P(=O)(O)O PMI (2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N PMJ n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide +CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O PMK (4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate +C(CCC(=O)O)CCC(=O)O PML pimelic acid +c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O PMM pterin-6-yl-methyl-monophosphate +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2 PMN platensimycin +COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PMO n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)CN)O PMP 4'-deoxy-4'-aminopyridoxal-5'-phosphate +c1ccc(cc1)CNC(=O)O PMQ benzylcarbamic acid +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C PMR protochlorophyllide +c1ccc(cc1)CS(=O)(=O)O PMS phenylmethanesulfonic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O PMT phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester +CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O PMU (3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol +C[C@@](CCOP(=O)(O)O)(CC(=O)O)O PMV (3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid +CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC PMW methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate +COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O PMX 3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PMY aglycon of peplomycin +CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C PMZ 1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C PN0 prinomastat +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C PN1 (2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O PN2 4'-(3-aminopropionic) phosphopantetheine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O PN3 tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O PN4 (2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O PN5 (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate +CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2 PN6 (3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O PN7 n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O PN8 (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNA 4-nitrophenyl alpha-d-mannopyranoside +c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-] PNB 4-nitro-benzylphosphonobutanoyl-glycine +c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-] PNC para-nitrobenzyl glutaryl glycinic acid +c1cc(ccc1NN)[N+](=O)[O-] PND p-nitrophenylhydrazine +CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNE para-nitrophenyl phosphonobutanoyl l-alanine +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O PNF 6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNG 4-nitrophenyl alpha-d-glucopyranoside +CCCC(=O)C PNH pentan-2-one +CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PNI tetra[n-methyl-pyridyl] porphyrin-nickel +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N PNJ 4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C PNK (2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCC=O PNL propanal +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C PNM open form - penicillin g +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C PNN penicillin g +C[P@](=O)(N)O PNO p-methyl aminophosphinic acid +C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNP methyl-phosphonic acid mono-(4-nitro-phenyl) ester +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F PNQ p-nitrophenyl aminoethyldiphosphate beryllium trifluoride +CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] PNR 4-nitrophenyl hexadecanoate +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O PNS 4'-phosphopantetheine +c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N PNT 1,5-bis(4-amidinophenoxy)pentane +C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N PNU 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C PNV (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNW 4-nitrophenyl beta-d-glucopyranoside +CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C PNX 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O PNY (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +c1cc(ccc1CN)[N+](=O)[O-] PNZ p-nitro-benzylamine +CC[C@H](Cc1ccccc1)N PO0 1-benzyl-(r)-propylamine +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC PO1 (9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate +[O-]P=O PO2 hypophosphite +[O-][P-](=O)[O-] PO3 phosphite ion +[O-]P(=O)([O-])[O-] PO4 phosphate ion +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O PO5 (2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +c1ccc(cc1)OCC(=O)N PO6 2-phenoxyacetamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2 PO7 (6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione +C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O PO8 (1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O PO9 [(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate +C(C=O)P(=O)(O)O POA phosphonoacetaldehyde +CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O POB 2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid +C[N+](C)(C)CCOP(=O)(O)O POC phosphocholine +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4 POD 9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N POF (4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O POG (20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol +C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3 POH (1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O POI n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine +c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4 POJ n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O POK 2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid +CCCO POL n-propanol +C[C@H]1C(=O)C[C@H](N1)C(=O)O POM cis-5-methyl-4-oxoproline +N=[P@@](O)([O-])O[P@](=O)(O)[O-] PON imido diphosphate +C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O POO 3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +O[P@@](=O)([O-])O[P@@](=O)(O)[O-] POP pyrophosphate 2- +CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O POQ bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate +c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8 POR porphyrin fe(iii) +CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3 POS 1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol +CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl POT (1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate +CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC POU peloruside a +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC POV (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3 POW diperodon +COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N POX 4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime +CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C POY 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F POZ 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol +CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C PP0 ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate +Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N PP1 1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N PP2 1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PP3 alanyl-pyridoxal-5'-phosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O PP4 methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3 PP5 methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC PP6 methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide] +CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C PP7 methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate +CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC PP8 2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester +Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C PP9 protoporphyrin ix +B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O PPB 1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O PPC 1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O PPD 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PPE 4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium +C(=O)(O)P(=O)(O)O PPF phosphonoformic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O PPG (2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)C[C@H](N)P(=O)(O)O PPH [(1r)-1-amino-2-phenylethyl]phosphonic acid +CCC(=O)O PPI propanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O PPJ n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline +N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O PPK (diphosphono)aminophosphonic acid +CC(C)(C)NC(=O)[C@@H]1CCCCN1 PPL piperidine-2-carboxylic acid tert-butylamide +CP(=O)(O)O PPM phosphonomethyl group +c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] PPN para-nitrophenylalanine +c1nc2c(c(n1)O)N=NC2 PPO 3h-pyrazolo[4,3-d]pyrimidin-7-ol +c1ccc(cc1)C[C@@H](CO)O PPP 3-phenyl-1,2-propandiol +C[P@](=O)(CC[C@@H](C(=O)O)N)O PPQ phosphinothricin +C(C(=O)C(=O)O)P(=O)(O)O PPR phosphonopyruvate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N PPS 3'-phosphate-adenosine-5'-phosphate sulfate +Cc1ccc(cc1)CCC(=O)O PPT 3-(p-tolyl)propionic acid +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PPU puromycin-5'-monophosphate +OP(=O)(O)OP(=O)(O)O PPV pyrophosphate +c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N PPW 7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N PPX [phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine +c1ccc(cc1)CC(=O)C(=O)O PPY 3-phenylpyruvic acid +c1ccn2c(c1)nc3c2ncnc3NCCO PPZ 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol +c1c(c2c([nH]1)N=C(NC2=O)N)C#N PQ0 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN PQ1 phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O PQ2 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid +C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C PQ3 n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide +c1cc(ccc1/C=C(/C(=O)O)\N)O PQ4 (2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid +c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O PQ5 7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5 PQ7 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O PQ8 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid +CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C PQ9 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone +c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F PQA [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone +c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F PQB [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone +c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N PQC 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide +c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N PQD 7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine +CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO PQE 3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol +c1ccc(cc1)C2CCC(CC2)(C(=O)O)N PQG cis-1-amino-4-phenylcyclohexane-1-carboxylic acid +Cc1c(cc([nH]1)C(F)(F)F)C(=O)O PQH 2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid +CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C PQJ fos-choline-14 +Cc1cc(c(n1C2CC2)C)C(=O)O PQK 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cc(cnc1)c2ccc(cc2)C(=O)O PQM 4-(pyridin-3-yl)benzoic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C PQN phylloquinone +c1cc(ccc1C(=O)O)n2ccnc2 PQP 4-(1h-imidazol-1-yl)benzoic acid +c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O PQQ pyrroloquinoline quinone +CN(c1ccc(c(c1)O)O)N=O PQR 4-[methyl(nitroso)amino]benzene-1,2-diol +c1ccnc(c1)c2ccc(cc2)C(=O)O PQS 4-(pyridin-2-yl)benzoic acid +c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl PQT (3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid +C1CCCN(CC1)CCNC(=O)/C=N/O PQV (2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N PQW n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide +C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O PQY (2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] +Cc1cc(c(n1CC2CC2)C)C(=O)O PQZ 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +[Pr+3] PR praseodymium ion +C[C@H]([C@H](Cc1ccccc1)N)O PR0 3(s)-amino-4-phenyl-butan-2(r)-ol +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1 PR1 4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1 PR2 thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide +CCCSSC[C@@H](C=O)N PR3 s,s-propylthiocysteine +C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O PR4 1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PR5 purine riboside-5'-monophosphate +C(C(=O)O)C(=O)Cl PR6 3-chloro-3-oxopropanoic acid +C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O PR7 1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N PR8 5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine +C1C[C@@H](NC1)C(=O)N PR9 d-prolinamide +c1ccc(cc1)CCCN PRA 3-phenylpropylamine +C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O PRB 13-acetylphorbol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4 PRC n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide +C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N PRD n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine +C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O PRE prephenic acid +c1c(c2c([nH]1)N=C(NC2=O)N)CN PRF 7-deaza-7-aminomethyl-guanine +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O PRH 6-hydroxy-1,6-dihydro purine nucleoside +C1C[C@H](NC1)C=O PRI pyrrolidine-2-carbaldehyde +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O PRJ (2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid +CCC(=O)NCCCC[C@@H](C(=O)O)N PRK n~6~-propanoyl-l-lysine +c1cc(cc2c1cc3ccc(cc3n2)N)N PRL proflavin +CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PRM 3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium +c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O PRN purine 2'-deoxyribo-5'-monophosphate +C1C[C@H](NC1)C(=O)O PRO proline +C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 l-proline c-terminal deprotonated fragment +C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H l-proline c-terminal protonated fragment +C1C[C@H](NC1)C(=O)O PRO_LFOH l-proline free neutral +C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW l-proline free zwitterion +C1C[C@H]([N-]C1)[C-]=O PRO_LL l-proline - linking embedded +C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 l-proline n-terminal protonated fragment +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O PRP 1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose +c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-] PRQ (3s)-3-amino-3-(2-nitrophenyl)propanoic acid +C[n+]1cccc(c1)C[C@@H](C(=O)O)N PRR 3-(methyl-pyridinium)alanine +C1[C@H](NCS1)C(=O)O PRS thioproline +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O PRT phosphoribosyl atp +C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PRU (3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid +c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-] PRV (2r)-amino(2-nitrophenyl)ethanoic acid +C([C@H]([C@H](C(=O)O)O)O)N PRW (2r,3r)-4-amino-2,3-dihydroxybutanoic acid +CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PRX adenosine-5'-monophosphate-propyl ester +CCCc1ccccc1N PRY 2-propyl-aniline +CC(C)Cc1c(nccn1)OC PRZ 2-isobutyl-3-methoxypyrazine +C[C@@H]([C@H](Cc1ccccc1)N)O PS0 3(s)-amino-4-phenyl-butan-2(s)-ol +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC PS1 1,2-didecanoyl-sn-glycero-3-[phospho-l-serine] +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PS2 o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N PS4 n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide +[S-]SSS[S-] PS5 pentasulfide-sulfur +CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC PS6 o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine +CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C PS7 {(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl PS8 2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +S1SSSSSSS1 PS9 octathiocane +c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N PSA 3-hydroxy-4-amino-5-phenylpentanoic acid +c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO PSB 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC PSC (7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N PSD 5'-o-[n-(prolyl)-sulfamoyl]adenosine +C([C@H](COP(=O)(O)O)N)O PSE o-phosphoethanolamine +CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC PSF 1,2-dicaproyl-sn-phosphatidyl-l-serine +c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PSG 4-nitrophenyl 1-thio-beta-d-glucopyranoside +c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N PSH 1-thiophosphono-l-histidine +C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N PSI methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate +C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O PSJ d-psicose +CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O PSK [(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid +[O-]S(=O)(=O)OS(=O)(=O)[O-] PSL pyrosulfate +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N PSM n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide +c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O PSN benzyl 2-formylphenyl hydrogen phosphate +Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO PSO 4'-hydroxymethyl-4,5',8-trimethylpsoralen +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO PSP 1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime +C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O PSQ ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O PSR thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2 PSS (2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O PST thymidine-5'-thiophosphate +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PSU pseudouridine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O PSV alpha-d-psicofuranose +C([C@@H](C(=O)O)N)[Se]S PSW 3-(sulfanylselanyl)-l-alanine +CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O PSX [(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid +C=CS(=O)(=O)Oc1ccccc1 PSY phenyl ethenesulfonate +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O PSZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid +[Pt+2] PT platinum (ii) ion +CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O PT0 (r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O PT1 pteroic acid +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5 PT2 [ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+) +CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O PT3 n-propyl-tartramic acid +[Pt+4] PT4 platinum (iv) ion +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC PT5 [(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate +Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3 PT6 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one +c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl PT7 chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+) +C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2 PT9 [pt(h2bapbpy)] platinum +CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O PTA [(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid +CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2 PTB (5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O PTC 2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid +C(CC=O)CC=O PTD pentanedial +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S PTE tungstopterin cofactor +CSCc1ccccc1 PTF [(methylsulfanyl)methyl]benzene +CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O PTG (5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O PTH ce1-methylene-hydroxy-phosphotyrosine +c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O PTI 2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol +CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PTJ 5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine +c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O PTK pyrene-1,3,6,8-tetrasulfonic acid +CCCCC=O PTL pentanal +C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N PTM alpha-methyl-o-phosphotyrosine +[NH3][Pt+2]([NH3])[NH3] PTN platinum triamine ion +CN1[C@H]2CC[C@@H]1CC(C2)O PTO pseudotropine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O PTP thymidine-3',5'-diphosphate +c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O PTQ 2-phenylethyl 1-thio-beta-d-galactopyranoside +c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O PTR o-phosphotyrosine +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N PTS (4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O PTT tungstopterin +CCSC(=Nc1ccccc1)N PTU 2-ethyl-1-phenyl-isothiourea +c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3 PTV 2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone +C1N2CN3CN1CP(C2)C3 PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane +CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O PTX {[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid +CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PTY phosphatidylethanolamine +Cc1c(nc(s1)N)c2ccccc2 PTZ 5-methyl-4-phenyl-1,3-thiazol-2-amine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O PU puromycin-n-aminophosphonic acid +CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC PU0 9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N PU1 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine +COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC PU2 8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC PU3 9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC PU4 9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC PU5 9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4 PU6 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- +CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC PU7 9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC PU8 9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N PU9 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N PUA adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate] +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PUB phycourobilin +CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O PUC (5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O PUD 6-deoxy-l-psicose +c1ccc(cc1)N2CC[C@H](C2)C(=O)O PUE (3~{r})-1-phenylpyrrolidine-3-carboxylic acid +C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O PUF 6-deoxy-alpha-l-psicofuranose +C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O PUG 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O PUJ (1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N PUK n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC PUL (1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside +[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O PUM (1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol +CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C PUN 2,2,4,4,6,6,8-heptamethylnonane +C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O PUP (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate +c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O PUQ pelargonidin 3-o-beta-d-glucoside +c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O PUR purine riboside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O PUS (e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +C(CCN)CN PUT 1,4-diaminobutane +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4 PUV 2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C(CCNC(=O)CP(=O)(O)O)CN PUW n-(phosphonoacetyl)-putrescine +CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4 PUX 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PUY puromycin +COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC PUZ 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine +c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O PV0 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol +c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br PV1 (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone +c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV2 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol +CCCc1ccc(c(c1)O)Oc2ccccc2 PV4 2-phenoxy-5-propyl-phenol +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F PV5 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4 PV7 4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV8 4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol +CC(C)[C@H](N)P(=O)(O)O PVA 1-amino-2-methyl-propylphosphonic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O PVB purvalanol b +CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O PVC (2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid +c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O PVE (1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVG phycoviolobilin, green light-absorbing form +COC(=O)[C@H](Cc1c[nH]c[nH+]1)N PVH histidine-methyl-ester +C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5 PVJ 2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVK (s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione +CC(=O)C=O PVL pyruvoyl group +CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7 PVM 2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVN phycoviolobilin +CC(C(=O)O)(O)O PVO 2,2-bis(oxidanyl)propanoic acid +Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl PVP 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol +C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVQ (s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione +C=CS(=O)(=O)c1ccccc1 PVS (ethenylsulfonyl)benzene +c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F PVT 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one +C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3 PVV 2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide +COCCN1c2c([nH]cn2)C(=O)NC1=S PVW 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O PVX n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O PVY 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium +CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O PVZ [1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F PW1 [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium +COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O PW2 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +CC(=O)N1CCNC(=O)C1 PW3 4-acetyl-piperazin-2-one +Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O PW5 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid +c1cnc(nc1C(F)(F)F)N PW7 4-(trifluoromethyl)pyrimidin-2-amine +c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O PW8 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid +c1cc2c(cc1F)N=CNC2=O PWA 7-fluoroquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+] PWB 3',3'-c-[2'fdamp-2'fdam(ps)] +c1c[nH]c2c1cc(cn2)F PWD 5-fluoro-1h-pyrrolo[2,3-b]pyridine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O PWE (2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate +COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 PWF 2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F PWG 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine +CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C PWH 3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F PWJ 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile +C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O PWK 4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol) +c1cc2c(c(c1)F)C(=O)NC=N2 PWM 5-fluoroquinazolin-4(3h)-one +c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O PWN 2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid +c1cc2c(cc1F)C(=O)NC=N2 PWP 6-fluoroquinazolin-4(3h)-one +c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O PWQ 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid +CN1C(=O)C=C(N=C1SC)C(F)(F)F PWS 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one +c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O PWT 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid +Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3 PWU isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N PWV 5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile +c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O PWW 4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid +COc1ccc2cc(ccc2c1)CC(=O)O PWY (6-methoxynaphthalen-2-yl)acetic acid +CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O PWZ (5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid +[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O PX1 (1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC PX2 1,2-dilauroyl-sn-glycero-3-phosphate +COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 PX3 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC PX4 1,2-dimyristoyl-sn-glycero-3-phosphocholine +c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O PX5 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC PX6 1,2-dipalmitoyl-sn-glycero-3-phosphate +CN1c2ccccc2S(=O)(=O)NC1=O PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC PX8 1,2-distearoyl-sn-glycero-3-phosphate +CCCCOc1ccc(cc1)OCCCN2CCOCC2 PX9 pramocaine +Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXA 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine +CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C PXB parecoxib +c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O PXC phenazine-1,6-dicarboxylic acid +COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC PXD 2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide +CC1=CC(=O)C(=CC1=NO)C(C)C PXE 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime +Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F PXF 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O PXG 3-[o-phosphonopyridoxyl]--amino-benzoic acid +CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C PXH (2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid +CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C PXI 4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O PXJ n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide) +CC(C)(C)C#CCc1c[nH]c2c1scn2 PXK 6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole +Cc1c(c(c(cn1)CO)C=O)O PXL 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde +Cc1c(c(c(cn1)CO)CN)O PXM 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol +C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O PXN (2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol +CC\C=N/O PXO (1z)-propanal oxime +Cc1c(c(c(cn1)COP(=O)(O)O)CO)O PXP pyridoxine-5'-phosphate +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PXQ 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC PXS (2s)-propane-1,2-diyl dihexadecanoate +C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C PXT pectenotoxin-2 +C1C[C@](NC1)(C(=O)O)O PXU 2-hydroxy-l-proline +CC(=O)Nc1cc2cccnc2c3c1cccn3 PXX n-1,10-phenanthrolin-5-ylacetamide +Cc1ccc(cc1)C PXY para-xylene +Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXZ 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one +C[C@@H]([C@@](N)(O)[O-])O PY0 (1s,2s)-1-amino-1,2-dihydroxypropan-1-olate +c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4 PY1 4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline +c1cc(cnc1)CS PY2 3-(mercaptomethylene)pyridine +CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C PY3 5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide +CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY4 2-[o-phosphonopyridoxyl]-amino- butyric acid +CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY5 2-[o-phosphonopyridoxyl]-amino-pentanoic acid +CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY6 2-[o-phosphonopyridoxyl]-amino-hexanoic acid +c1cnccc1CO PY7 pyridin-4-ylmethanol +c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br PY8 6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide +Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O PY9 4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N PYA 3-(1,10-phenanthrol-2-yl)-l-alanine +Cn1cc(cc1C(=O)O)N PYB 4-amino-(1-methylpyrrole)-2-carboxylic acid +c1cc([nH]c1)C(=O)[O-] PYC pyrrole-2-carboxylate +Cc1cnc(nc1N)C PYD 2,5-dimethyl-pyrimidin-4-ylamine +C1CCOCC1 PYE tetrahydropyran +c1cc(cnc1)CO PYF 3-pyridinylcarbinol +c1cc(c(c(c1)O)O)O PYG benzene-1,2,3-triol +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYH n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O PYI 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium +CCc1ccccc1 PYJ phenylethane +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYL pyrrolysine +CC(=O)C(=O)N PYM pyruvamide +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5 PYN 3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYO 1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate +c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O PYP 2'-deoxyribofuranosylpyrene-5'-monophosphate +c1cc2c3c(c1)CCN3C(=O)CC2 PYQ pyroquilon +CC(=O)C(=O)O PYR pyruvic acid +c1ccnc(c1)S PYS 2-pyridinethiol +C=C(C(=O)N)N PYT 2-aminoprop-2-enamide +c1ccn(c1)C(=O)c2c(cc(cc2O)O)O PYU 2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 PYV 4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C PYW pyridomycin +Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O PYX s-[s-thiopyridoxaminyl]cysteine +c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYY d-ribofuranosyl-benzene-5'-monophosphate +c1c(cn[nH]1)I PYZ 4-iodopyrazole +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4 PZ1 (6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one +Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N PZ2 3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7 PZ3 4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F PZ4 5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine +C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PZ5 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine +Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O PZ8 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cnc(cn1)C(=O)N PZA pyrazine-2-carboxamide +c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O PZB 4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol +CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO PZC (2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide +COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4 PZD (11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1CNCCN1 PZE piperazine +COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F PZF (3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O PZG [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid +c1cc(ccc1CN)Br PZH 1-(4-bromophenyl)methanamine +C1CC(=O)N(C1)CC(=O)N PZI 2-(2-oxopyrrolidin-1-yl)acetamide +c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl PZJ (3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N PZK 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br PZL 3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile +COc1ccc(cc1)CN PZM 1-(4-methoxyphenyl)methanamine +CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C PZN 3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion +c1c[nH]nc1 PZO pyrazole +[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O PZP [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4 PZQ praziquantel +c1cncc2c1[nH]nc2 PZR 1h-pyrazolo[4,3-c]pyridine +CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C PZS (5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione +C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O PZU alpha-d-paratopyranose +CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F PZV 1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide +Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C PZW (1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(n[nH]1)C(=O)OCc2cccnc2 PZX pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate +CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4 PZY 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CN(C)Cc1c[nH]c2c1cccc2CCCO PZZ 3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol +c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N Q00 n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine +CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4 Q01 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid +c1ccc(cc1)[C@H](N)P(=O)(O)O Q02 [(r)-amino(phenyl)methyl]phosphonic acid +C1CCC(CC1)[C@H](N)P(=O)(O)O Q03 [(r)-amino(cyclohexyl)methyl]phosphonic acid +C1CCC(CC1)C[C@H](N)P(=O)(O)O Q04 [(1r)-1-amino-2-cyclohexylethyl]phosphonic acid +Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F Q05 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine +C1CCC(C1)CC[C@H](N)P(=O)(O)O Q06 [(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid +CCC[C@H](C)[C@H](N)P(=O)(O)O Q07 [(1r,2s)-1-amino-2-methylpentyl]phosphonic acid +CCCC(CCC)[C@H](N)P(=O)(O)O Q08 [(1r)-1-amino-2-propylpentyl]phosphonic acid +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F Q0A 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl Q0B 2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 Q0D 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid +c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N Q0E 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4 Q0G 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F Q0H 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4 Q0J 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine +Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N Q0K 2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N Q0M 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide +c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N Q0N 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O Q0P (2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid +C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N Q0Q 4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br Q0S 5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide +CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N Q0T ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate +CCn1cc(cn1)c2c(c(ncn2)N)C#N Q0W 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br Q0Y 5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl Q0Z 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN Q10 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine +COc1ccccc1c2ccc3c(c2)nc(nc3N)N Q11 7-(2-methoxyphenyl)quinazoline-2,4-diamine +Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N Q12 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine +Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N Q13 6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C Q14 6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3 Q15 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C Q16 6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine +c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN Q17 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol +c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O Q18 (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one +Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N Q19 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N Q1A 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea +c1cc2c(cc1OC(F)(F)F)CC(=O)N2 Q1B 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O Q1D {4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1E ~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide +c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O Q1G 5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide +c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F Q1H 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br Q1J 5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide +CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1K 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine +COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br Q1M 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid +[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C Q1N (2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide +c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O Q1P 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid +c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N Q1Q (6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine +CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-] Q1S n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N Q1T 3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile +c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N Q1V 2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium +CC(C)(CC(=O)C(=O)O)C(=O)O Q1W 2,2-dimethyl-4-oxidanylidene-pentanedioic acid +c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6 Q1Y 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide +C[C@H](CC(=O)O)C(=O)C(=O)O Q1Z (3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O Q20 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5 Q21 (2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide +c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N Q22 (4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol +c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2 Q23 (3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate +c1ccc2c(c1)c(nc(n2)N)N Q24 quinazoline-2,4-diamine +CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q25 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C Q26 n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide +CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N Q27 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine +Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 Q28 4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2A 3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2D 3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N Q2E (2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal +CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C Q2H ~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide +c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5 Q2J 3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid +c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2M 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F Q2N 2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2P 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +COC(=O)c1ccccc1c2cccc(c2)C(=O)O Q2R 3-(2-methoxycarbonylphenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3 Q2S 3-(1~{h}-indol-5-yl)benzoic acid +CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5 Q2T 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline +c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6 Q2V 5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine +CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 Q2Y 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N Q2Z carborane ethyl-sulfonamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3 Q31 5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl Q34 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC Q35 2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N Q38 carborane nido-pentyl-sulfonamide +Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3 Q39 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide +Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F Q3A 8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N Q3B 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea +c1ccc2c(c1)cc(cn2)C(=O)O Q3C quinoline-3-carboxylic acid +CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6 Q3D 8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N Q3E carborane propyl-sulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC Q3G o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine +B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N Q3H carborane nido-hexyl-sulfonamide +[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F Q3J 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N Q3K carborane closo-hexyl-sulfonamide +CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC Q3M methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N Q3N carborane closo-pentyl-sulfonamide +C(CCNC(=O)CN)C[C@@H](C(=O)O)N Q3P n~6~-glycyl-l-lysine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N Q3Q carborane closo-butyl-sulfonamide +C[C@@H]([C@H](C(=O)O)N)N Q3S (2r,3s)-2,3-diaminobutanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N Q3T carborane methyl-sulfonamide +B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N Q3W carborane nido-butyl-sulfonamide +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5 Q3Y (3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid +Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F Q41 7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one +C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O Q42 (2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid +CC(=O)NC1=NC(=O)c2c([nH]cn2)N1 Q44 n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide +S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25 Q46 fe4 h s5 +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O Q47 3-bromo dicyclotyrosine +C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC Q4A n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N Q4B carborane nido-pentyl-sulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F Q4D (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q4E 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one +c1cc(cc(c1)C(=O)O)c2cccc(c2)F Q4G 3-(3-fluorophenyl)benzoic acid +c1c(c(ncn1)N)C#N Q4H 4-azanylpyrimidine-5-carbonitrile +CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C Q4J pralsetinib +CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F Q4K ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate +COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl Q4M [(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone +c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl Q4P [(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C Q4Q n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC Q4S (4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4 Q4T 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O Q4V (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid +CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl Q4W 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O Q4Y (4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O Q4Z [(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N Q50 {(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester +C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O Q51 (4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl Q52 ~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q54 (3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid +C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO Q55 4s/3694 +c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q57 (2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid +C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO Q58 desf-3r/4076 +Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F Q5A n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O Q5B (3s)-citryl-coenzyme a +c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N Q5D 4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide +C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl Q5F n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide +c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O Q5G 3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN Q5J 4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +c1ccc2c(c1)cccc2C(=O)CCC(=O)O Q5M 4-(naphthalen-1-yl)-4-oxobutanoic acid +CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O Q5N bcv-l6 +Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O Q5Q 3,6-dibromo-1-(hydroxymethyl)carbazole +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C Q5S 2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose +CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2 Q5T (4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC Q5V n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine +C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC Q5W methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC Q5Y n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4 Q5Z 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N Q61 guanosine-5'-monophosphate-2',3'-vanadate +C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O Q62 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide +CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q64 (2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide +B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F Q65 (1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl Q67 n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide +CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O Q68 ~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide +CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6A (2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide +C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C Q6B [(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate +CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6D (2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide +CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C Q6E (1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl Q6F n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide +CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O Q6G selpercatinib +c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3 Q6H 5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 Q6J 5alpha-dihydronandrolone +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C Q6K ~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide +CC(CCCCCNCCCN)(O)O Q6M 7-[(3-aminopropyl)amino]heptane-2,2-diol +CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C Q6N 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +COCC(CCCCCNCCCN)(O)O Q6P 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol +COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC Q6Q 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C Q6S n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide +c1cc(c2c(c1)OCO2)C(=O)O Q6T 1,3-benzodioxole-4-carboxylic acid +c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 Q6W 3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide +Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C Q6Y ~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide +C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z (1r,2r,3s)-3-methylcyclohexane-1,2-diol +c1cc2c(cc1F)S(=O)(=O)NC(=O)N2 Q71 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N Q72 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F Q74 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid +c1c(scn1)C[C@@H](C=O)N Q75 2-amino-3-(thiazol-5-yl)propanoic acid +Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C Q77 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +c1cscc1C[C@@H](C(=O)O)N Q78 l-3-thienylalanine +c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O Q7A 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O Q7B (1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 Q7G 2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside +CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C Q7H 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O Q7J 1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q7K 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N Q7M 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +COc1cccc(c1)CNC(=O)c2ccccc2[SeH] Q7N ~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO Q7P 6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC Q7Q 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO Q7S 6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q7T ~{n}-(phenylmethyl)-2-selanyl-benzamide +Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl Q7U 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea +[B+](CCCCCNCCCN)(O)(O)O Q7V 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH] Q7W ~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide +C(CCC(=O)CS)CCNCCCN Q7Y 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one +CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C Q7Z 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl Q80 2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O Q81 1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O Q82 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide} +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O Q84 1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +COc1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q85 ~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide +c1ccc(cc1)CCC(=O)Cn2cncn2 Q86 4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O Q87 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1nc(c2c(n1)[nH]c(n2)N)N Q88 9h-purine-6,8-diamine +c1cc2cccnc2c(c1)N Q8A quinolin-8-amine +CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q8B n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide +c1cc2c(cc1C(=O)O)nnn2C3CCCCC3 Q8D 1-cyclohexyl-1h-benzotriazole-5-carboxylic acid +COc1ccc(cn1)CNC(=O)c2ccccc2[SeH] Q8E ~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide +c1cc2c(cc1C(=O)O)ncn2C3CCCCC3 Q8G 1-cyclohexyl-1h-benzimidazole-5-carboxylic acid +c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH] Q8H ~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide +CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5 Q8J 4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide +c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5 Q8K 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br Q8M 5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8P 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide +CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1 Q8Q 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8S 5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C Q8T 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N Q8V ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate +c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5 Q8W 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3 Q92 3-quinolin-6-ylbenzoic acid +CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C Q94 n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O Q97 4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol +c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3 Q98 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C Q9A n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3 Q9B 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)NCCCCNCCCN Q9C n-{4-[(3-aminopropyl)amino]butyl}acetamide +CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2 Q9D benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C Q9E (5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F Q9G 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine +c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N Q9H (2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2 Q9J (5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N Q9K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 Q9M 2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N Q9N ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide +c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl Q9P azolopyrimidine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O Q9Q 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside +C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N Q9S 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine +c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br Q9T 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol +CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C Q9V n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide +CC(C)CCn1c(c(nn1)O)C(=O)NC Q9Y ~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide +CC(C)CCN1CC(=O)N=N1 Q9Z 3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C QA1 danazol +C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5 QA4 2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QA7 5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine +CC[C@H](CC(=O)O)C(=O)C(=O)O QA8 (3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid +c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5 QAA 2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide +C1CCc2c(c(c(s2)N)C(=O)O)C1 QAB 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +c1cc(ccc1CO)C(=O)NCCC(=O)O QAC n-[4-(hydroxymethyl)benzoyl]-beta-alanine +COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O QAD 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl QAE 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] QAF {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N QAG 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile +[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O QAH [(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate +c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5 QAJ 2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide +C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O QAK (6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol +c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N QAM n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5 QAN (3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide +c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O QAP 2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O QAQ [(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile +Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N QAR 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine +c1cc(nc(c1C(=O)O)C(=O)O)S QAS 6-mercaptopyridine-2,3-dicarboxylic acid +C1C(=S)C=NC(=C1C(=O)O)C(=O)O QAT 5-mercaptopyridine-2,3-dicarboxylic acid +COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QAV 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN QAY 8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4 QAZ (3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide +COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O QB1 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F QB4 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 QB5 n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide +COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O QB7 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 QB8 ~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide +COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O QBA 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) +c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F QBB 4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide +COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O QBD 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 QBE ~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide +COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O QBG 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C QBH (4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one +COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QBJ 4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid +C12=NC(=O)SC1=NC(=NC2=O)N QBK 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione +CCCSc1nc(c(nn1)C)O QBM 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 QBN 2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine +c1cc(ccc1c2[nH]nnn2)C(F)(F)F QBP 5-[4-(trifluoromethyl)phenyl]-1h-tetrazole +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O QBQ 7-deaza-gtp +CC(=O)[C@@H](C#N)c1ccc(cc1)Cl QBS (2r)-2-(4-chlorophenyl)-3-oxobutanenitrile +C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O QBT [(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(cc1/C=C/C(=O)O)Br)O QBV (2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid +c1ccc(cc1)CNCCc2ccc(c(c2)O)O QBW 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol +CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4 QBY 6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl) +C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O QBZ (2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5 QC0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide +c1cc(ccc1CNc2cnccc2C(=O)O)F QC1 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid +c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O QC2 2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O QC4 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F QC5 2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine +C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C QC7 (5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one +CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5 QC8 (2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O QCA {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O QCB (2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O QCD {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid +CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O QCE n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine +Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C QCG (2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O QCH (2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O QCK (4-methyltriazole)-thymidine-5'-monophosphate +CCC(CC)COc1cc(nc2c1cccc2N)C=O QCL 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde +CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO QCM givinostat +CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N QCN (2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal +CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO QCP ar-42 +c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F QCQ [[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C([C@@H](C(=O)O)N)SC(=O)N QCS s-carbamoyl-l-cysteine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +C=Nc1ccc(cc1)N(=O)=O QCV n-(4-nitrophenyl)methanimine +CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2 QCW ~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide +C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O QCY 2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) +CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3 QCZ ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O QD0 (2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C QD2 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4 QD5 ~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide +CP(=O)(CCCN)O QD7 (r)-(3-aminopropyl)methylphosphinic acid +CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 QDA n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine +c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O QDD 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid +CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C QDE ~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide +CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl QDG 4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one +C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl QDH [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5 QDJ tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +C([C@@H]([C@@H](C(=O)CO)O)O)O QDK l-ribulose +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O QDM tdp-3,6-dideoxy-3-n,n-dimethylglucose +COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QDN quinidine +c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-] QDO 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5 QDP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O QDQ ~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N QDR 2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O QDS n-(quinoxalin-2-ylcarbonyl)-d-serine +CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC QDT 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDV tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 QDW methoxymethyloxathiatetraazatetracyclodocosahexaenedione +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDY tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C QDZ ~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine +c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3 QE2 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QE4 tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F QE5 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO QE8 (1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QEA tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +O12[Re]3O4[Re]1O5[Re]2O3[Re]45 QEB [re4(mu3-oh)4(co)12] +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O QED n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) +CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O QEE ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N QEG n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O QEH (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O QEI 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C1C[C@H](NC1)C#N QEJ (2s)-pyrrolidine-2-carbonitrile +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3 QEK 2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid +C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 QEL 4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol +C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O QEM 4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br QEN 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4 QEP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4 QEQ 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 QES tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F QET [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone +Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C QEV methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl QEY methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2 QEZ 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br QF1 5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide +COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4 QF2 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N QF4 benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5 QF8 ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC QFB 7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O QFD (3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N QFE (3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine +[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O QFG {(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@@H]([C@@](C)(C(=O)O)O)O QFH (2s,3s)-2,3-dihydroxy-2-methylbutanoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC QFI ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid +CCC(=O)SCC[N+](C)(C)C QFJ propionylthiocholine +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC QFK 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1ccc(c(c1)CSC2=NCCN2)Cl QFM 2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole +Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C QFN (4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +B(c1ccccc1)(O)OCCO QFP 2-hydroxyethyl hydrogen phenylboronate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5 QFQ ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +B(c1cccc(c1)OC)(O)OCCO QFS 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate +c1cc(c(cc1N(=O)=O)O)F QFT 2-fluoranyl-5-nitro-phenol +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl QFV 2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide +CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O QFW 2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QFY {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +c1(c(c(c(c(c1F)F)F)F)F)O QFZ 2,3,4,5,6-pentakis(fluoranyl)phenol +c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 QG1 {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+) +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O QG2 (2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QG4 {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+) +c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4 QG7 n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC QG8 methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC QG9 methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O QGA 1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol +C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N QGB 5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine +CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC QGD o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine +CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F QGF n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N QGG 1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline +C[C@@H]1c2c(c3ccccc3[nH]2)CCN1 QGH (1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O QGJ 1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide +C[C@H]1c2c(c3ccccc3[nH]2)CCN1 QGK (1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O QGM (2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid +Cc1c(nnc2c1c(n[nH]2)N)C QGN 4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine +c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N QGP (2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid +Cc1cc(ncn1)SCc2c(noc2C)C QGQ 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole +CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N QGS 1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid +Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O QGV (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone +CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QGZ 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F QH1 n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O QH2 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl QH3 3,4-dichlorobenzyl carbamimidothioate +CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 QH4 {(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 QH5 ~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide +CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QH8 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC QHA (3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +COc1cccc2c1[nH]nn2 QHB 7-methoxy-1~{h}-benzotriazole +CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl QHC n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O QHD (2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid +CCc1nnc2n1c(cs2)c3ccccc3 QHE 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole +Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O QHF n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O QHG (e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 QHH 1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O QHJ (r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHK 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N QHL delta-[ru(tap2-dppz-cn]2+ +CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO QHM hycanthone +c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3 QHN 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O QHP (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHQ 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O QHS (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHT 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O QHV (r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHW 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O QHY 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5 QHZ 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl QI1 4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide +Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO QI2 (2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide +c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl QI3 (4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide +COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QI9 quinine +C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O QIC (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O QID 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O QIF 1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5 QIG n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine +CC[C@H](C)[C@@H](C(=O)O)NC=O QIL n-formyl-l-isoleucine +CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N QIN n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide +CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O QIU 3-[3-(2-acetamidoethyl)phenyl]benzoic acid +CC(=O)Nc1nc2cc(ccc2s1)O QIV n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO QIX n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide +COC(=O)N1CC[C@H](SCC1)c2cccs2 QJ1 methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C QJ2 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C QJ4 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine) +CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QJ5 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F QJ7 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C QJ8 6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5 QJ9 1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CC[C@H](SC=C1)c2cccs2 QJA 1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one +C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O QJB 2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide +C(CO)COCCOCCOCCOCCOCCOCCN QJE 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol +c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N QJJ n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJM n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO QJN (1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJP (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F QJS 5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid +CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O QJT 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one +CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N QJV (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide +c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O QJW (2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QJY (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC QJZ n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F QK0 n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QK1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4 QK2 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one +Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5 QK5 (3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile +C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QK7 (4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C QK8 ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QKA (1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +CCOC(=O)N1CC[C@H](SCC1)c2cccs2 QKD ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N QKE (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC QKG 4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide +COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O QKH methyl-cyclo-hepta-amylose +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O QKJ 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F QKK 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid +C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O QKM 4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile +Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3 QKP 2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one +COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4 QKQ ~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide +c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3 QKT diperodon (s-enantiomer) +c1cc(cc(c1)c2cccc(c2)C(=O)O)CO QKU 3-[3-(hydroxymethyl)phenyl]benzoic acid +c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO QKV (6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol +c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl QKW (4-chlorophenyl)methyl pyridine-3-carboxylate +CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3 QKY (5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one +c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl QKZ 2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide +CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4 QL1 (5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N QL2 6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O QL4 (4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid +Cc1ccc(c(c1)OC(=O)c2ccncc2)C QL5 (2,5-dimethylphenyl) pyridine-4-carboxylate +CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O QL7 n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O QL8 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F QLA 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione +CCCCCCCCOCCOCCOCCO QLB 2-[2-(2-octoxyethoxy)ethoxy]ethanol +CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLD ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C QLE [(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate +[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O QLG [(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F QLH 5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O QLI (5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid +CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLJ ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate +COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLM methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate +C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O QLN 3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O QLP n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine +Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7 QLQ ~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide +CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC QLR 6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F QLS methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate +CC[Sn](CC)(CC)Br QLT triethyltin bromide +COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F QLV n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3 QLW n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine +CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC QLZ 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine +c1cc(c(nc1)C(=O)O)CC(=O)O QM1 3-(carboxymethyl)pyridine-2-carboxylic acid +c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4 QM2 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O QM4 (2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid +COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O QM5 (2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid +C(CCS)C[C@@H](C(=O)O)N QM8 6-sulfanyl-l-norleucine +COc1ccc2c(c1)ccc(c2C=O)O QMA 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde +C(C[C@@H](C(=O)O)N)CS QMB 5-mercapto-norvaline +C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O QMD 2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid +c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3 QME 2-[(2~{r})-piperidin-2-yl]-1~{h}-indole +Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 QMG 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O QMH (2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl QMI 4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O QMK ~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide +CN(C)C(=O)CC[C@@H](C(=O)O)N QMM n,n-dimethyl-l-glutamine +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5 QMN ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +CP(=O)(O)OC1CCCCC1 QMP cyclohexyl methylphosphonate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N QMQ 1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium +c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4 QMR varenicline +CS(=O)(=O)Nc1cccc2c1nccc2 QMS n-(quinolin-8-yl)methanesulfonamide +c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O QMT 2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol +c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F QMV 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O QMW 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol +Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3 QMY 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine +COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4 QMZ [(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone +c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F QN1 4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide +c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5 QN2 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide] +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl QN3 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide) +Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl QN4 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide +Cc1c(c2ccccc2[nH]1)CC(=O)O QN5 2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid +COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5 QN7 (8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@H]1C(=O)C2CCN1CC2 QN8 (2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O QNA (1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O QNB (3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate +c1ccc2c(c1)ccc(n2)C(=O)O QNC quinoline-2-carboxylic acid +c1ccc2c(c1)ccc(n2)C(=O)O QND quinaldic acid +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF QNE ~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine +CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C QNG n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide +CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5 QNH 6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine +c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4 QNI 6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C QNJ (3beta,5beta,14beta,17alpha)-cholestan-3-ol +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF QNK 6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine +CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O QNL ~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide +CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O QNM 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid +C[C@H]1C(=O)C2CCN1CC2 QNN (2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O QNO 2-nonyl-4-hydroxyquinoline n-oxide +CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O QNP (2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate +Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O QNQ 4-methylcatechol cysteine +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4 QNS n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide +Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N QNT 3,6-dimethylcatechol cysteine +Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N QNW 3-methylcatechol cysteine +C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O QNY o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine +c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O QNZ (e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid +CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O QO1 4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid +Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O QO2 4,5-dimethylcatechol cysteine +C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F QO4 5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one +Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C QO5 3,5-dimethylcatechol cysteine +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO QO7 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N QO8 3,4-dimethylcatechol cysteine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C QO9 1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O QOA n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O QOB ~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O QOD (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O QOE (2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide +CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N QOG 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O QOH 11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide +c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N QOJ 4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C QOK 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione +c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO QOL 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5 QOM trametinib +C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl QOP 6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide +Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F QOQ 5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine +CC1=CNC(=O)C(=N1)C QOS 3,5-dimethylpyrazin-2(1h)-one +Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl QOV 5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl QOY 5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N QOZ 2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC QP1 n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O QP2 (4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5 QP4 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine +c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F QP7 3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol +CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O QP8 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate +C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N QPA s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine +C/C(=C/c1ccc(cc1)O)/C(=O)OC QPB methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate +CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N QPC 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide +c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3 QPD (2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide +C/C(=C/c1ccccc1)/C(=O)OC QPE methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate +c1ccc(cc1)C[C@@H](C(=O)O)NC=O QPH n-formyl-l-phenylalanine +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O QPJ 2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol +c1cc(c(c(c1F)O)F)Cl QPK 3-chloranyl-2,6-bis(fluoranyl)phenol +CC1(CC(CC(N1[O-])(C)C)N)C QPM 4-amino-2,2,6,6-tetramethylpiperidin-1-ol +CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1 QPN 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one +Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4 QPP n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine +CC(=O)c1cn(c2c1cccc2)C QPR 1-(1-methylindol-3-yl)ethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO QPS beta-acarbose +C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+] QPT carboplatin +CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O QPU 1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol +CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl QPV 3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide +CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QPW 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N QPY benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate +CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C QPZ 1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide +c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N QQ1 2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine +Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl QQ2 [(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile +CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C QQ3 (3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O QQ4 hexa vinylpyrrolidone k15 +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QQ5 [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O QQ7 cucurbit[7]uril +C(CC(=O)N)[C@@H](CNC=O)N QQ8 (4~{s})-4-azanyl-5-formamido-pentanamide +CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-] QQA 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one +c1ccc2c(c1)cccc2C[C@@H](CNC=O)N QQB ~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide +CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C QQD 4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQE [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4 QQG n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide +Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O QQH [(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC QQJ n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO QQK [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC QQM n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl QQN [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F QQP n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +CC(C)n1c2ccccc2nc1S(=O)(=O)O QQQ 1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl QQT [2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 QQV (1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide +C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQW [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N QQX [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N QQY [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O QQZ phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid +[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O QR1 {3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) +c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl QR2 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one +[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O QR4 {3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) +C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C QR8 (3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione +[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O QRA 3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO QRB 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide +c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O QRE 2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O QRG n-acetyl-l-alpha-aspartyl-l-methionine +c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5 QRH (2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide +[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O QRJ {3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) +CCCCCC(=O)SC QRL s-methyl hexanethioate +C1CC(=CC(=C1)N)C(=O)O QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid +COc1ccc(cc1O)CCc2nc3ccccc3s2 QRN 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol +c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F QRO 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 QRP (3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione +COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2 QRQ 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N QRT [(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO QRV 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium +Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F QRW 3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide +CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F QRX n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N QRY 4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N QRZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N QS1 (2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C QS2 9-cis-okenone +Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C QS4 1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one +Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC QS5 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide +CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl QS7 n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F QS8 [[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QSA ~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide +c1cc(c(cc1C(=O)O)Br)O QSB 3 bromo 4 hydroxybenzoic acid +C[C@H](c1ccccc1)N QSC (1r)-1-phenylethanamine +Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N QSD (2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C QSE all-trans okenone +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O QSG (2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name) +c1c(cc(c(c1Br)O)Br)C(=O)O QSH 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N QSI 5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine +Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O QSJ (3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F QSK [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid +CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4 QSM 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole +CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3 QSN n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide +COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O QSO 5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one +Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O QSP (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N QSQ [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O QSR (9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate +CN1CCN(CC1)c2ccccc2N QSS 2-(4-methylpiperazin-1-yl)aniline +CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS QST (2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC QSV (2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide) +c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3 QSW (4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4 QSY n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium +c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3 QSZ (4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS QT2 (2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F QT4 ~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide +Cc1nccn1c2cccc(c2)CN QT5 [3-(2-methylimidazol-1-yl)phenyl]methanamine +CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl QT7 2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide +CCC(=O)CC(=O)O QT8 3-oxidanylidenepentanoic acid +c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N QTA 3-(phenylsulfonyl)benzene-1-sulfonamide +C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C QTB (3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N QTD 4-phenoxybenzene-1-sulfonamide +CC1CCCCC1 QTE methylcyclohexane +CCCNS(=O)(=O)c1ccc(cc1C)F QTG 4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide +c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4 QTH 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine +c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N QTJ 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3 QTK 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium +c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F QTM 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O QTP 3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine +C1[C@@H]([C@H](CS1(=O)=O)O)O QTQ (3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol +O QTR oxygen of quinone +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N QTS 1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine +Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O QTT 2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid +c1cc(sc1)CCC(=O)O QTU 3-(thiophen-2-yl)propanoic acid +Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-] QTV 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N QTW [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O QTY n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide +CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O QTZ mycinamicin ii +CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC QU2 mycinamicin i +c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O QU4 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid) +COC1C=CC(C=C1)S QU5 4-methoxycyclohexa-2,5-diene-1-thione +CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 QU7 (1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +COc1ccc(cc1)NC=O QU8 ~{n}-(4-methoxyphenyl)methanamide +C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O QUA 8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid +C=CCO/N=C/c1ccnc2c1cccc2 QUB (e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine +c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5 QUD 2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O QUE 3,5,7,3',4'-pentahydroxyflavone +c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O QUG 2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O QUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)ncc(n2)C(=O)O QUI 2-carboxyquinoxaline +CC(C)COc1cc(nc2c1cccc2N)C(=O)O QUJ 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN QUK 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid +CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4 QUL n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine +C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl QUM quinacrine mustard +CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl QUN quinacrine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O QUO 2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate +Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl QUP 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 QUS (s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUV n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N QUW 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUX n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUY (2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide +c1ccc2c(c1)cncn2 QUZ quinazoline +c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O QV2 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO QV4 4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4 QV5 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C QV6 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O QV7 3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid +c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O QV8 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid +C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O QVA (2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid +CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl QVB 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O QVE 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QVK 5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C QVM (2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal +c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O QVN 3-(3-phenylpropyl)-2-oxoglutarate +C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O QVQ 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid +C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QVR (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol +c1cc2c(cc(nc2c(c1)N)C(=O)O)O QVS 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid +CC[C@@H](CC(=O)C(=O)O)C(=O)O QVT 4-ethyl-2-oxoglutarate +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4 QVV benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCC[C@@H](CC(=O)O)C(=O)C(=O)O QVW 3-propyl-2-oxoglutarate +c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O QVY 1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol +CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C QVZ 3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate +CCC[C@@H](CC(=O)C(=O)O)C(=O)O QW2 (4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid +CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QW4 2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium +COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QW5 5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide +C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5 QW7 1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole +Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC QW9 [2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc2c(c1)c(c[nH]2)Cn3ccnc3 QWB 3-(imidazol-1-ylmethyl)-1~{h}-indole +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4 QWE amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O QWG (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name) +CCC(=O)Nc1cc(nc(c1Br)C)C QWH ~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide +c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4 QWI 6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O QWJ 6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside +CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3 QWK ~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide +C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F QWM n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine +c1c2c(nc(c1Br)Cl)nn[nH]2 QWN 6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O QWP mithramycin +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4 QWQ 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N QWS 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C QWT 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O QWV n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c12c(c(c(nc1nn[nH]2)Br)Br)Br QWW 5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N QWY 3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C QWZ 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +c1ccc2c(c1)ncc(n2)C(=O)O QX quinoxaline-2-carboxylic acid +CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5 QX1 3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine +c1[nH]c2c(c(c(nc2n1)Br)Br)Br QX2 5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine +Cc1ccc2c(c1)C(=CC(=O)O2)O QX4 4-hydroxy-6-methyl-2h-1-benzopyran-2-one +Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F QX7 n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine +c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br QX8 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one +C1CCS(=O)(=O)C1 QXB sulfolane +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O QXD 5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +C1CS(=O)(=O)C[C@@H]1O QXE 3-hydroxythietane-1,1-dioxide +c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O QXG 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br QXH ~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4 QXK 2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide +[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-] QXM (5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C QXN 2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide +c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N QXP 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4 QXQ ~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide +CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC QXT 1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione +CSCC[C@H](C(=O)N)N QXV d-methioninamide +c1c2c(nc(c1Br)Br)nn[nH]2 QXW 5,6-dibromo-1h-triazolo[4,5-b]pyridine +CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C QXY {4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O QY1 (2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4 QY4 n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide +CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C QY5 ~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide +CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C QY7 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1c[nH]c2c1C(=O)NC(=N2)N QY8 2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)Oc1ccccc1 QY9 phenyl acetate +c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N QYA 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide +c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O QYB 3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-] QYD n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide +c1csc2c1c(ncc2Cl)N QYE 7-chlorothieno[3,2-c]pyridin-4-amine +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O QYG {(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1)c2cc(nc(n2)N)N QYH 6-(4-methoxyphenyl)pyrimidine-2,4-diamine +Cn1c2c(c(c1Br)C#N)c(ncn2)N QYK 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C QYM (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol +C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC QYQ ~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F QYS (1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2 QYT (5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C QYV 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N QYW 4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C QYY 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O QYZ (3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one +CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F QZ1 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid +Cn1cc(cn1)c2cc([nH]n2)C(=O)O QZ2 3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid +CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C QZ3 n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide +C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F QZ4 4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F QZ7 n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3 QZ8 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one +C[C@@H]([C@H](CCl)O)N QZA (2r,3s)-3-amino-1-chlorobutan-2-ol +CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZD n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5 QZE 4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C QZG n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide +CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O QZH (5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid +CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZJ n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O QZK {[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid) +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3 QZM 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide +CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl QZN 3-amino-7-chloro-2-nonylquinazolin-4(3h)-one +CC(C)Cc1ccc(cc1)C(=O)O QZP 4-(2-methylpropyl)benzoic acid +CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O QZQ betulinic acid +c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N QZS ~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide +C1CCS(=O)C1 QZT thiolane 1-oxide +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O QZV 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4 QZW 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine +CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4 QZY 3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid +COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O QZZ 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid +c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O R 2'-deoxy-n6-(r)styrene oxide adenosine monophosphate +c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N R00 n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br R01 (4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone +C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4 R02 {4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone +Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C R03 allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine +Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C R04 (2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F R05 5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5 R07 1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione +Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C R09 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine +CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O R0B (2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl R0D (5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone +CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O R0E prom-17 +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N R0G 4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile +c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl R0J 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +CC/C=C/C=C/C(=O)O R0M (2e,4e)-hepta-2,4-dienoic acid +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O R0N roniciclib +CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5 R0P 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl R0S 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N R0Y (2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O R0Z elacridar +C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O R10 5-o-phosphono-d-ribonic acid +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N R11 4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine +Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O R12 (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C R13 3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid +CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC R14 n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl R15 n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide) +CCCCCCCCCCCCCCCC R16 hexadecane +C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br R17 allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine +C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O R18 (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one +C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C R19 allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin +CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C R1A 3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine +CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C R1B s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1 R1C bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+) +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O R1D 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +C1[C@@H]([C@H](CC1(F)F)O)O R1E trans-4,4-difluorocyclopentane-1,2-diol +CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C R1F s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC R1H tariquidar +CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C R1N 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O R1P 1-o-phosphono-alpha-d-ribofuranose +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O R1Q vincristine +c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R1S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O R1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C R1V n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid +CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl R1W ~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide +C1[C@@H]([C@@H]([C@H](O1)CO)O)O R1X 1,4-anhydro-d-ribitol +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 R1Z delta-[ru(bpy)2dppz]2+ +Cc1cccc(c1)c2c[nH]nn2 R20 4-(3-methylphenyl)-1h-1,2,3-triazole +c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N R21 2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C R22 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one +CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl R23 methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-] R24 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N R26 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC R27 n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate +[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O R29 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O R2A (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid +C1=C([C@@H]([C@H](O1)CO)O)O R2B 1,4-anhydro-d-erythro-pent-1-enitol +COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3 R2C 5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid +c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl R2D [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid +CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R2F 2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C1=CO[C@H]([C@@H]1O)CO R2G 2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O R2H 3-fluoro dicyclotyrosine +CNCc1c2ccccc2n(n1)C R2J n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine +C(C(=O)O[Na])C(=O)O[Na] R2K (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium +Cn1c2ccc(cc2cc1C(=O)O)Br R2N 5-bromo-1-methyl-1h-indole-2-carboxylic acid +C(c1c(nsn1)O)[C@H](C(=O)O)N R2P (2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N R2Q 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile +N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N R2R ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) +c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R2S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide +[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O R2T beta,gamma-dihydroxyglutamine +c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O R2V 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine +c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N R2W 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide +CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4 R2Y n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O R2Z n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide +CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 R30 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N R31 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N R32 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN R33 n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl R34 5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +CC(C)(C)[C@@H](CC(=O)O)C(=O)O R35 (2r)-2-tert-butylbutanedioic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C R36 4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C R37 3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O R38 (2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4 R39 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea +[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3 R3A 1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3B (2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3E (2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R3F 2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3G 2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +O[Ti](O)(O)O R3H tetrakis(oxidanyl)titanium +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3 R3J benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3M 2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O R3N (2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid +CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl R3P 2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide +c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O R3S resveratrol-3-o-sulfate +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R3V (5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +C(C(=O)O)Cl R3W chloroacetic acid +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R3X resveratrol-3-o-glucuronide +Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl R3Y 1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione +c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O R3Z 1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 R40 n~2~-[(benzyloxy)carbonyl]-l-arginine +c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N R41 [(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O R44 1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R45 n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine +C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C R46 n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R47 n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N R48 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N R49 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 R4A bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O R4B n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O R4C n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e +C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O R4D 3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CCCCCC1=Cc2c(cccc2N)C(=O)N1 R4E 5-amino-3-pentylisoquinolin-1(2h)-one +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O R4G resveratrol-4'-o-glucuronide +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C R4H 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O R4J [(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O R4K (2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7 R4L 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2 R4M (2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid +c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl R4N 4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide +Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O R4P 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid +C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F R4Q (3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F R4S n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+] R4T 9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine +C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F R4V (1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCS(=O)(=O)C R4W 1-methylsulfonylethane +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F R4Y (1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCc1cc2c(c(c1)C(=O)O)C=CC2=O R4Z 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R51 5-o-phosphono-d-ribose +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R52 5-o-phosphono-d-ribose +C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R54 (5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R55 n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N R56 5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide +COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R57 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R58 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O R59 (2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5A ruthenium wire, 5 carbon linker +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5B ruthenium wire wc5 +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F R5D (1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO R5G n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O R5I inosine diphosphate ribose +[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5N ni-substituted keggin silicotungstate +C(C(C(C(C=O)O)O)O)OP(=O)(O)O R5P ribose-5-phosphate +[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5Q co-substituted keggin silicotungstate +c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N R5S 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO R5T tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO R5V n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide +Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C R5W 3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide +c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO R5X 3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5 R5Y 4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C R5Z 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F R61 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione +CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C R62 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid +Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C R64 (1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone +CS(=O)(=O)CC(=O)C(=O)O R67 3-(methylsulfonyl)-2-oxopropanoic acid +CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R68 n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide +CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O R69 n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R6A ruthenium wire, 6 carbon linker +CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C R6B (~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid +CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C R6C (2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol +c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6 R6D 6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine +CCCCCC[C@](CC)(C(=O)O)N R6E (2~{r})-2-azanyl-2-ethyl-octanoic acid +CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO R6G rhodamine 6g +CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F R6H ~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide +Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C R6K 2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C R6M n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide +CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C R6N 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6 R6P (3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2 R6Q 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one +Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C R6S n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine +c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O R6T 9-oxo-9h-fluorene-4-carboxamide +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6 R6V (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O R6W (3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4 R6Z 3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4 R70 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione +C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C R71 [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C R72 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2 R74 n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide +CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br R75 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone +CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O R77 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C R78 4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C R79 n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C R7A s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1cn2c(n1)C(=CNC2=O)C3CCCCC3 R7B 8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one +c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O R7D n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O R7G 1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O R7H (4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O R7I inosine diphosphate ribose +c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O R7J [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O R7K ~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O R7M (2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N R7N 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C R7P 2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one +Cc1ccc(cc1)C(=O)C(C)C R7Q 2-methyl-1-(4-methylphenyl)propan-1-one +CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O R7S 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide +c1cc(sc1)Cc2ccc(cc2)C(=O)O R7T 4-[(thiophen-2-yl)methyl]benzoic acid +CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R7U ruthenium wire, 7 carbon linker +C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O R7V (1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O R7Y (1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside +CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3 R7Z ~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO R81 n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) +C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C R82 n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide +CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3 R83 n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC R84 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid +Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl R85 5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C R86 2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide +C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3 R88 (4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone +c1cc(c(nc1)N)CO R8A (2-aminopyridin-3-yl)methanol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O R8B methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside +C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F R8C 2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide +c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl R8D 3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile +c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl R8E 3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C R8G 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4 R8H (2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide +c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3 R8J 6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F R8N 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide +C[C@@H](c1ccc(cc1)[N+](=O)[O-])O R8P (1s)-1-(4-nitrophenyl)ethan-1-ol +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F R8Q 2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide +COc1ccnc(n1)NN R8S 2-hydrazinyl-4-methoxypyrimidine +CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O R8T (3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid +CN1[C@H](c2ccccc2C1=O)O R8V (3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one +CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O R8W 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid +CCN(CCC(=O)O)C(=O)c1cccs1 R8Y n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine +CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F R91 1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl R92 4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl R93 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5 R94 n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide +CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R96 n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +Cc1csc(n1)Cc2ccccn2 R97 2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine +CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O R99 n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane +CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R9A ruthenium wire, 9 carbon linker +c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O R9B n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo +COc1cccc(c1)C(=O)N2CCCC2 R9G (3-methoxyphenyl)(pyrrolidin-1-yl)methanone +Cc1ccc(cc1)NC(C)(C)C(=O)O R9J 2-methyl-n-(4-methylphenyl)-l-alanine +Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O R9K 3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid +c1csc(n1)CCC(=O)O R9M 3-(1,3-thiazol-2-yl)propanoic acid +c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br R9P 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N R9Q 3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile +Cc1ccccc1CC(=O)N R9S 2-(2-methylphenyl)acetamide +COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC R9T (1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O R9V (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol +C1CCc2c(c(c3c(n2)CCC3)N)C1 R9W 2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1CCCc2c1ccc(c2)CN R9Y 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine +CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2 RA0 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid +c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N RA1 2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide +CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O RA2 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one +[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] RA4 n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N RA5 8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide +c1c(sc(n1)N2CCOCC2)CO RA7 [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol +[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2 RA8 n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N RA9 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAA alpha-rhamnose +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N RAB 2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O RAC 4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid +CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C RAD c49-methyl rapamycin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O RAE alpha-l-olivopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O RAF raffinose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O RAH [(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid +c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO RAI 1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C RAJ n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O RAL raloxifene +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAM alpha-l-rhamnopyranose +CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O RAN phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O RAO methyl 6-deoxy-alpha-l-rhamnopyranoside +C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC RAP rapamycin immunosuppressant drug +CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N RAR 5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine +C=CCN[C@@H]1CCc2c1cccc2 RAS (1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine +C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O RAT d-arabinaric acid +C#CCN[C@@H]1CCc2c1cccc2 RAU rasagiline +CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC RAV 5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C RAW beta,beta-caroten-4-one +Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RAX dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium +COCCOCC(=O)Nc1cccc(c1)F RAY n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide +CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C RAZ (1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Rb+] RB rubidium ion +C([C@H](C([C@H](CO)O)O)O)O RB0 d-ribitol +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N RB1 3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol +COC(C1CC(CCC1NC(C(O)O)O)Cl)O RB2 2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol +C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O RB3 (1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate +CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 RB4 ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate +C([C@H]([C@H]([C@H](C=O)O)O)O)O RB5 d-ribose +C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O RB6 (2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1Br)CNCCS(=O)(=O)C RB7 n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O RB8 6-deoxy-6-sulfo-d-fructose +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5 RB9 n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4 RBC 4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate +c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O RBD (r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3 RBE 3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RBF riboflavin +CC(C)(C)NC(=O)[C@H]1CCCCN1 RBG (2r)-n-tert-butylpiperidine-2-carboxamide +CNCc1ccc(cc1)O RBJ 4-[(methylamino)methyl]phenol +C([C@H]([C@H](C(=O)CO)O)O)O RBL d-ribulose +[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl RBN benzeneruthenium(ii) chloride +c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br RBP (3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine +CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F RBQ (8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3 RBS n-(4-phenylamino-quinazolin-6-yl)-acrylamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RBT rifabutin +c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5 RBU ruthemium bis(2,2'-bipyridine)-2-imidazole +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N RBV 1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide +CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O RBW 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N RBY methylene adp-beta-xylose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RBZ alpha-ribazole-5'-phosphate +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C RC0 5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine +C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O RC1 [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 RC2 n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide +[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O RC4 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea +CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O RC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O RC7 2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 RC8 (2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C RCA 6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O RCB 4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C RCC 3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O RCD gamma-cyclodextrin +C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O RCE 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N RCF (2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid +CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5 RCG (1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide +Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C RCH n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide +C[C@H](C(=O)O)Cl RCI (r)-2-chloropropionic acid +CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O RCJ (2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid +c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F RCK ~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine +CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O RCL ricinoleic acid +CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl RCM (5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione +c1cc(c(cc1Cl)c2cn[nH]n2)N RCN 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline +c1cc(cc(c1)O)O RCO resorcinol +c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6 RCP (3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine +c1cc(c(cc1Cl)c2[nH]ncn2)N RCQ 4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline +c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N RCS triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i) +COC(=O)COc1cccc(c1)CN RCV methyl [3-(aminomethyl)phenoxy]acetate +c1cc(c(cc1Br)c2[nH]cnn2)N RCW 4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline +CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 RCX rofecoxib +CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C RCY (3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione +c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RCZ ru(tap)2(cl-dppz) complex +c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD0 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O RD1 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) +c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O RD2 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid) +c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O RD3 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid) +[H]/N=C(\c1cccc(c1)OCC)/N RD4 3-ethoxybenzene-1-carboximidamide +c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD7 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4 RD8 radezolid +COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O RDA methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate +C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1 RDC radicicol +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O RDD 1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione +COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N RDE 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O RDF n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan +c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 RDG 2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C=C(C(=O)O)Oc1cccc(c1)C(=O)O RDH 3-[(1-carboxyvinyl)oxy]benzoic acid +C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1 RDI radicicol +CCNC(=O)CSc1nnc(o1)C(C)C RDJ n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O RDL 6,7-dioxo-5h-8-ribitylaminolumazine +CC(=O)N[C@H](CCc1ccccc1)C(=O)O RDM (2r)-2-(acetylamino)-4-phenylbutanoic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O RDP alpha-d-ribose-1-phosphate +c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl RDR 4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one +CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N RDS 6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine +C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC RDT (1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C1CCC(C1)CCC(=O)N2CCNCC2 RDV 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one +C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 RDY n-[(benzyloxy)carbonyl]-n-methyl-l-alanine +CC(=CCC/C(=C/COP(=O)(O)O)/C)C RDZ geranyl phosphate +[Re] RE rhenium +c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE0 3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-] RE1 glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate +c1cc(ccc1CCc2cc(cc(c2)O)O)O RE2 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol +c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE3 3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1cc(nc(n1)N)NCc2cccnc2 RE4 6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O RE5 l-glutamate tenofovir +C[C@H](c1ccc(cc1)F)NCCn2cccn2 RE7 (1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine +c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O RE8 4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid +C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C RE9 6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C REA retinoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4 REB [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REC cephalosporin +C(CCC(=O)O)C[C@H](CCS)S RED dihydrolipoic acid +C[N+](C)(C)NCCC(=O)O REE 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium +c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione +C1CCC(C1)NC(=O)NC[C@@H]2CCCO2 REG 1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea +C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] REI tricarbonyl (aqua) (imidazole) rhenium(i) +C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O REJ tricarbonyl (l-serine) rhenium(i) +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O REK d-aspartate tenofovir +C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O REL d-glucuronic acid +CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O REM nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide +C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC REN (s)-reticuline +[O-][Re](=O)(=O)=O REO perrhenate +C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O REP (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O REQ (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O RER vancosamine +C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O RES 4-phospho-d-erythronohydroxamic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C RET retinal +CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O REV 2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O REW (2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REX glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REY glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REZ (2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 RF1 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate +c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F RF2 3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole +c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 RF3 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C RF4 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O RF5 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose +CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O RF7 {(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid +C(CCCCCCCC(=O)O)CCCCCCC(=O)O RF8 hexadecanedioic acid +C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N RF9 n~6~-[(1r)-1-carboxyethyl]-l-lysine +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFA delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O RFC (r)-ibuprofenoyl-coenzyme a +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O RFE l-methionine tenofovir +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4 RFG 3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide +Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O RFH (1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O RFJ 2'-o-methyl-5'-o-thiophosphonoguanosine +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O RFL 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide +c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4 RFM n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide +C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C RFN (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RFP rifampicin +[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O RFQ n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br RFS br-paroxetine +CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O RFT butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate +Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O RFV rifamycin sv +CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O RFW n-acetyl-d-glucosamine-6-phosphate +CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F RFX (3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I RFY i-paroxetine +c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O RFZ 5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole +CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C RG1 rhodopin b-d-glucoside +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl RG2 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4 RG4 (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F RG7 5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide +C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC RGA reidispongiolide a +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC RGC reidispongiolide c +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO RGD cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N RGE (2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O RGG (2r)-2,3-dihydroxypropyl beta-d-galactopyranoside +CNC(=O)O RGI methylcarbamic acid +CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC RGJ 4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N RGK 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one +C(C[C@@H](C=O)N)CNC(=[NH2+])N RGL arginal +CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C RGM (3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one +C1[C@H]([C@@H](CC1(F)F)O)O RGN (1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol +C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N RGP gamma-glutamyl phosphate +C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N RGS 4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RGT 2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside +CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4 RGV (3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde +Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C RGW ~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C RGY (4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3 RGZ (r)-rosiglitazone +[Rh+] RH rhodium +c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O RH0 3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid +CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 RH1 2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione +c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N RH2 n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide +[Rh+3] RH3 rhodium(iii) ion +COC(=O)[C@H](Cc1ccco1)c2ccncc2 RH4 methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N RH5 4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3 RH7 methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate +CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5 RH8 ~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC RH9 rhizopodin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O RHA 6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose +CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O RHB n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium +C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N RHC (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid +[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3] RHD rhodium hexamine ion +Cl[Re](Cl)(Cl)(Cl)(Cl)Cl RHE rhenium (iv) hexachloride +C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F RHG (3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine +Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N RHH 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO RHJ cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31 RHL [n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium +C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C RHM delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine +c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O RHN 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C RHO tetramethylrhodamine-5-maleimide +C#CCN[C@@H]1CCc2c1cc(cc2)O RHP (3r)-3-(prop-2-ynylamino)indan-5-ol +CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC RHQ rhodamine 6g +CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C RHS 3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan +Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N RHT 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine +Cn1c(nnc1S)C(F)(F)F RHU 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol +CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C RHV ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate +c1cc2c(cco2)cc1c3cc(nc(c3)N)N RHW 4-(1-benzofuran-5-yl)pyridine-2,6-diamine +c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7 RHX [2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii) +CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RHY 1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one +COc1cc(ccc1Cl)c2ccnc(c2)N RHZ 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O RI2 1,5-di-o-phosphono-alpha-d-ribofuranose +CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C RI5 (1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F RI8 4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F RI9 n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RIA 2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O RIB alpha-d-ribofuranose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RIC phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4 RID (3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O RIE (3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid +C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C RIF rifamycin cgp 4832 +CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C RIL [(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +C[C@H](C12CC3CC(C1)CC(C3)C2)N RIM rimantadine +C1CCCCCNC(=O)[C@H](CCCC1)N RIN 3-amino-azacyclotridecan-2-one +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N RIO ribostamycin +C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RIP beta-d-ribopyranose +CC12=C3([Ir]145C2(=C4(C53C)C)C)C RIR [(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O RIS 1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O RIT ritonavir +c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl RIV 5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide +[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F RJ1 n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide +c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4 RJ2 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine +c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O RJ4 (4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde +COc1ccc(cc1)c2ccnc(c2)N RJ5 4-(4-methoxyphenyl)pyridin-2-amine +[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC RJ6 n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide +CCOC(=O)[C@H]([C@H](c1cccnc1)O)F RJ7 ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate +c1cc2c(cco2)cc1c3ccnc(c3)N RJ8 4-(1-benzofuran-5-yl)pyridin-2-amine +C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C RJA ratjadone a, bound form +c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3 RJB 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid +C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3 RJD (3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide +CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3 RJE 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one +c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4 RJG (3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one +Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC RJH 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea +c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N RJI 2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide +CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2 RJJ (5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide +c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN RJK 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea +c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3 RJN benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate +c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O RJP (1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6 RJQ (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide +c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4 RJR (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 RJW (1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCOC(=O)c1csc(n1)C RJY ethyl 2-methyl-1,3-thiazole-4-carboxylate +Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N RJZ 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2 RK1 (7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N RK2 4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1cc(cc(c1)C(=O)O)CN2CCCCC2 RK4 3-[(piperidin-1-yl)methyl]benzoic acid +Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C RK5 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F RK7 ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate +Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N RK8 4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5 RKA n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide +c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O RKD (2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium +CN[C@]1(CCCCC1=O)c2ccccc2Cl RKE (r)-ketamine +c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61 RKF (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RKG methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate +Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N RKH 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O RKJ (4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N RKK 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36 RKL ru(tap)2(dppz) complex +Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RKM (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 RKN (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 RKP lambda-ru(phen)2(dppz) complex +Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N RKQ 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O RKS methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate +c1cc2c(c3c1nccn3)nccn2 RKT pyrazino[2,3-f]quinoxaline +Cn1c(cc(n1)c2ccco2)C(=O)O RKV 3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3 RKW ~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide +c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2 RKY 4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N RKZ 4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br RL1 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone +CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O RL2 n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane +CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br RL3 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone +C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O RL4 (5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F RL7 n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide +CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C RLA ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 RLB lambda-[ru(bpy)2dppz]2+ +CN1C[C@H](CC1=O)c2ccccc2 RLG (4r)-1-methyl-4-phenylpyrrolidin-2-one +CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C RLI 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O RLJ (2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br RLK 2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide +C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O RLL (2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O RLM 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol +C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O RLP 3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid +CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3 RLS (4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one +Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F RLT n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide +CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C RLV 4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide +CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C RLW 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one +CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C RLY n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C RLZ ~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide +c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O RM0 2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol +CN[C@@H]1CCc2c1cccc2 RM1 n-methyl-1(r)-aminoindan +C=C\C=N\[C@@H]1CCc2c1cccc2O RM2 4-hydroxy-n-propargyl-1(r)-aminoindan +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O RM4 beta-l-rhamnopyranose +CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl RM5 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1 RM7 2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4 RM8 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole +B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O RM9 (1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +CN(CC#C)[C@@H]1CCc2c1cccc2 RMA n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine +Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RMB n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole +CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C RMC (2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol +C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O RMD [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium +Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-] RME n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine +C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1 RMG 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine +C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N RMJ 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C RMK ~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide + RML (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N RMM (2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide +c1ccc(cc1)[C@H](C(=O)O)O RMN (r)-mandelic acid +O[As]1O[Mo](=O)S1 RMO [arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum +C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O RMP 2'-deoxy-adenosine-5'-rp-monomethylphosphonate +CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C RMQ (3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid +COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2 RMR 3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide +C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N RMS 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O RMT (3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N RMV 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O RMW [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O RMY ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside +Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3 RMZ (3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one +c1ccc2c(c1)cccc2OC[C@@H](CO)O RN1 (2r)-3-(naphthalen-1-yloxy)propane-1,2-diol +CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 RN2 calpeptin +Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C RN3 methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate +c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2 RN4 (7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4 RN5 4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C RN6 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide +C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1 RN7 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide +CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N RN8 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid) +Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O RN9 3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide +Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2 RNA 4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O RNB 3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N RND n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C RNE (2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine +C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O RNG (6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O RNH (2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide +C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1 RNJ (7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine +Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl RNK 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one +C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1 RNM (7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C RNN n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide +c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-] RNO (r)-para-nitrostyrene oxide +CC(C)N=C[C@H](COc1cccc2c1cccc2)O RNP (1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F RNR 3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine +C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O RNS l-rhamnose +C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O RNT l-rhamnitol +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N RNV 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO RNW 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 RNY n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide +CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O RNZ 2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium +COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC RO0 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4 RO1 (3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide +CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O RO2 3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol +Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br RO3 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide +CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO RO4 [[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester +CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br RO5 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide +c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl RO6 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC RO7 (2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br RO8 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide +Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC RO9 1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine +c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O ROA (2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O ROB 1-deoxy-ribofuranose-5'-phosphate +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O ROC (2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ROD 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O ROE 5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F ROF 3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide +CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N ROG 2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C ROI 7,8-dihydro-7,7-dimethyl-6-hydroxypterin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N ROJ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS ROK 4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 ROL rolipram +CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C ROM c-1027 aromatized chromophore +CCC[C@@H](C(=O)O)N RON norvaline +CCC(=O)N ROP propionamide +C[C@@H](CC(=O)O)C(=O)C(=O)O ROQ (3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid +C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O ROR l-ribose +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4 ROS n,n'-tetramethyl-rosamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O ROU 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C ROV nevanimibe +CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ROX roxithromycin +c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl ROY 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP2 (2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide +C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O RP3 3-deoxy-5-o-phosphono-beta-d-ribofuranose +c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O RP4 (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O RP5 5-o-phosphono-beta-d-ribofuranose +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O RP6 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid +CN1CC=C[C@@H](C1)O RP7 (3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol +c1cc(c2ccc(nc2c1)N)CN RP8 5-(aminomethyl)quinolin-2-amine +CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C RPA rhodopinal glucoside +CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3 RPB rucaparib +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O RPC cytidine 3',5'-bis(dihydrogen phosphate) +C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPD (c8-r)-hydantocidin 5'-phosphate +COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5 RPF 1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O RPG (13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O RPH 6-hydroxo-octahydro-indole-2-carbaldehyde +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O RPI phospho-arginine +c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O RPJ 1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid +C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPL (c8-s)-hydantocidin 5'-phosphate +Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O RPM 5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-] RPN (r)-1-para-nitro-phenyl-2-azido-ethanol +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO RPO (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside +c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N RPP 2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O RPQ d-rhamnopyranose tetrazole +C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN RPR 3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O RPS phtalimide-ruthenium complex +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RPT rifapentine +c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4 RPV 5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid +CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C RPX c16-ethoxy-rapamycin,immunosuppressant drug +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C RQ0 2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4 RQ1 5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N RQ2 ganciclovir triphosphate +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C RQ3 2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid +Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3 RQ4 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7 RQ7 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O RQA 5'-o-sulfocytidine +COC(=O)[C@H](Cc1ccc(cc1)F)N RQD methyl 4-fluoro-l-phenylalaninate +Cc1ccc2c(c1)c(co2)CC(=O)O RQG (5-methyl-1-benzofuran-3-yl)acetic acid +CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl RQH (1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one +C1CN(C1=O)[C@@H](CCCN)C(=O)O RQJ deoxyproclavaminic acid +C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C RQK (2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide +CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O RQN 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide +COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F RQP (5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione +COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3 RQQ n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 RQS n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3 RQT ~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide +CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4 RQV n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide +COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5 RQW (1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C RQX 2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N RQZ 3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide +c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O RR1 5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid +c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12 RR2 (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O RR5 (2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid +c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O RR6 3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid +C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O RR7 2-deoxy-beta-d-arabino-hexopyranose +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl RR8 (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +C#CCN RRA prop-2-yn-1-amine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O RRB [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 RRC r-roscovitine +[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O] RRE fac-tricarbonyl-triaqua rhenium(i) +CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O RRG (2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O RRH (2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O RRJ 4-chloro-4-deoxy-alpha-d-galactopyranose +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N RRK (1r,2r)-1,2-diphenylethane-1,2-diamine +CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C RRM (2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Br RRO 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl RRP 3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 RRQ 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid +c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl RRR 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RRS n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide +c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O RRT (r)-retro-thiorphan +CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O RRV (2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N RRW [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C RRX (3r)-beta,beta-caroten-3-ol +C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl RRY 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose +C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O RRZ 2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO RS1 4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO RS2 n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RS3 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O RS4 7-ethyl-10-hydroxycamptothecin +CCCCCCC#Cc1ccccc1\C=C\C(=O)O RS7 (2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N RS8 n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine +C#CCN[C@H]1CCc2c1cccc2 RSA n-propargyl-1(s)-aminoindan +C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC RSB (1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O RSD respinomycin d +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC RSE [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate +C1CO[C@H]2C1[C@H](CO2)O RSF (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol +C1CO[C@@H]2[C@H]1[C@@H](CO2)O RSG (3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol +C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O RSH 3-deoxy-d-lyxo-hexonic acid +c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N RSK (1s,2r)-1,2-diphenylethane-1,2-diamine +CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC RSM (2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO RSN (3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid +c1ccc(cc1)[C@@H]2CO2 RSO r-styrene oxide +C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RSP 4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O RSQ 5-formylcytidine 5'-(dihydrogen phosphate) +CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RSS 5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid +C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O RST 3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose +c1cc(nc2c1cc(cc2)c3ccsc3)N RSV 6-(thiophen-3-yl)quinolin-2-amine +Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O RSW [(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+) +C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O RSX (4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O RSY n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3 RSZ n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RT ribosylthymine-5'-monophosphate +c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F RT0 (2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O RT1 (2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3 RT2 tofogliflozin +Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N RT3 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl RT7 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate +CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4 RT8 nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide +C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8 RTA (2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii) +C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98 RTB (2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii) +C(#O)[Re](C#O)C#O RTC rhenium (i) tricarbonyl +c1ccc(cc1)[C@H](C(=O)O)S RTD (2r)-phenyl(sulfanyl)ethanoic acid +Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl RTE 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid +Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C RTF 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O RTG 6-o-phosphono-alpha-l-idopyranose +CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N RTH 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine +C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C RTJ (7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[N+](C)(C)CCCP(=O)O RTK trimethyl(3-oxidanylphosphonoylpropyl)azanium +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C RTL retinol +CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N RTM 3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4 RTN 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N RTP ribavirin triphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5 RTQ (2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone +c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N RTR 4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 RTT (2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO RTV 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N RTW 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione +CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl RTX 4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine +c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O RTY 4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid +C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC RTZ 10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +[Ru+3] RU ruthenium ion +CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl RU0 tetrakis(acetato)chloridodiruthenium(ii,iii) +C(#[O+])[Ru+2]C#[O+] RU1 bis(oxidaniumylidynemethyl)ruthenium(2+) +C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+] RU2 pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium +C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O RU3 ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1) +CCNC(=O)Oc1ccc(cc1)c2csnn2 RU4 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl RU5 2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C RU6 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl RU7 para-cymene ruthenium chloride +c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61 RU8 bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+) +c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O RU9 2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide +CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C RUA (4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine) +C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O RUB ribulose-1,5-diphosphate +[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63 RUC (eta6-benzene)ruthenium +Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RUD [ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2 +c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO RUE 3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid +CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO RUG 1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole +C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl RUH (ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl +c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O RUI cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium +CN(CCC(=O)O)[N+](C)(C)C RUJ 3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51 RUL tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) +c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N RUM 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4 RUN 2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole +O([Ru])([Ru])[Ru] RUO oxo-centered triruthenium cluster +c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4 RUP (r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide +S[Cu][S+]([Cu])[Cu] RUQ (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C RUR [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium +C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RUS 1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O RUT rutin +C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O RUU alpha-l-ribulofuranose +CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2 RUV 4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide +Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC RUX [4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium +C1CCN(CC1)c2c(non2)N RUY 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO RUZ [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2 RV1 n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide +c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3 RV2 5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid +CC(=O)Nc1ccc(cc1)CN2CCOCC2 RV4 n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide +c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2 RV5 n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N RV7 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4 RV8 triglycidyl isocyanurate +c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O RVA 3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVB 3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O RVC 3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVD 3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +C=C(C(=O)O)Oc1cccc(c1O)C(=O)O RVE 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O RVG 6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose +CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 RVI (2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide +C([C@@H](C(=O)O)N)NNN RVJ 3-triazan-1-yl-l-alanine +CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O RVK adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC RVM 4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose +c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2 RVN 5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N RVP ribavirin monophosphate +Cc1ccnc(c1)C RVV 2,4-dimethylpyridine +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O RVW (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol +CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N RVX o-[methyl(2-methylpropoxy)phosphoryl]-l-serine +C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3 RVY (5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N RVZ 2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile +c1ccc(cc1)c2ccncn2 RW1 4-phenylpyrimidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O RW2 (1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid +CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N RW3 n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N RW4 3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C RW7 (3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +COC(=O)CCC(=O)N1CCc2c1cccc2 RW8 methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3 RWA (5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO RWB dodecaethylene glycol monomethyl ether +C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3 RWD (4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one +CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O RWF r-warfarin +C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F RWG (5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione +CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N RWH 3-(3-methyl-3-phenethylureido)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O RWI (2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid +c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3 RWJ cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide +C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3 RWM (5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione +COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F RWP methyl 4-[(trifluoroacetyl)amino]benzoate +Cc1nnc(s1)N2CCCCC2 RWS 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine +Cc1nc(cs1)CN2CCC(CC2)CN RWV 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl RWX 2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid +c1ccc(cc1)Oc2ccc(cc2)OCCSC#N RWY 2-(4-phenoxyphenoxy)ethyl thiocyanate +CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C RWZ n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O RX0 [(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone +c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O RX3 n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N RX4 n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine +CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX5 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate +CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX6 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate +Cc1ccsc1CNC(C)(C)CO RX7 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol +CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N RX8 1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C(=O)NC2=O RXA isoquinoline-1,3,4(2h)-trione +CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXB (1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXC (1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O RXD n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide +c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl RXE ~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide +c1ccn(c1)C(=O)COc2ccc(cc2)F RXG 2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC RXH naproxen methyl ester +CN1CCN(CC1)c2ccc(cc2)C#N RXJ 4-(4-methylpiperazin-1-yl)benzonitrile +C1CCC(CC1)C(=O)O RXK cyclohexanecarboxylic acid +Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O RXM (2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl RXN (s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO 4-arsanyl-2-nitrophenol +c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N RXP 1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F RXQ n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide +CC1(C(=C(C(N1[O])(C)C)CS)CS)C RXR [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical +Cc1nccn1Cc2cccc(c2)C#N RXS 3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 RXT (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5 RXV 6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile +B(c1cc2c(cc1C)cn[nH]2)(O)O RXW (5-methyl-1h-indazol-6-yl)boronic acid +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN RXY (7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate +c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F RXZ sphinx31 +C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N RY 5'-3,6-dihydrocytidylic acid +B(c1cccc(c1)c2n[nH]nn2)(O)O RY2 (3-(1h-tetrazol-5-yl)phenyl)boronic acid +CS(=O)(=O)Nc1ccc(cc1)CN RY4 n-[4-(aminomethyl)phenyl]methanesulfonamide +c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4 RY5 (3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO RY7 4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose +Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N RY8 n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C RYA (7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one +Cn1c2ccc(cc2nn1)CO RYD (1-methylbenzotriazol-5-yl)methanol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O RYE hydrolyzed ceftazidime +c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O RYG ~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide +c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N RYJ 4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide +CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3 RYK (5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N RYM 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile +CCNc1nc(nc(n1)SC)NC(C)C RYN n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine +CNCc1ccncc1 RYP ~{n}-methyl-1-pyridin-4-yl-methanamine +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RYS 6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O RYT pentadecaphosphate +C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O RYU (2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one +CCNC(=O)c1ccc(cc1)S(=O)(=O)N RYV n-ethyl-4-sulfamoylbenzamide +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl RYW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N RYX n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide +CCCNC(=O)c1ccc(cc1)S(=O)(=O)N RYY n-propyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N RYZ n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide +CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ0 n-butyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ1 n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide +CC(C)(C)OC[C@@H](C(=O)O)N RZ4 o-tert-butyl-l-serine +CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ5 n-pentyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ7 4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide +CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ8 n-hexyl-4-sulfamoylbenzamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RZA 6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl RZB (3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O RZD (2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate +c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F RZE (3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +COC(=O)c1ccc(cc1)S(=O)(=O)N RZG methyl 4-sulfamoylbenzoate +CCc1cc(cc2c1[nH]c(c2CCN)C)Br RZH 2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin +CN1CCCc2c1cc(cc2)S(=O)(=O)N RZJ 1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide +COc1ccc(cc1)c2nnn(n2)CCN RZK 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O RZM (2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside +c1ccc(cc1)Oc2ccc(cc2)CO RZN (4-phenoxyphenyl)methanol +CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZP (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCNc1ccc(cn1)C#N RZS 6-(ethylamino)pyridine-3-carbonitrile +CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O RZV (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C RZW 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC RZX 2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole +C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZY (2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +B1(c2cc(ccc2CO1)C(=O)O)O RZZ 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid +S S sulfur atom +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N S00 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl S01 1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone +C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO S02 phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester +COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O S03 1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S04 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4 S05 3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone +c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3 S06 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2 S07 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O S08 2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +C[C@H](C1CC1)NC(=O)Nc2ccccc2 S0A 1-[(1r)-1-cyclopropylethyl]-3-phenylurea +C[C@@H]1CN=C(S1)NCCc2ccccc2 S0B (5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine +c1csc(n1)NC(=O)CC2CCCC2 S0C 2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide +Cn1cc(cn1)c2[nH]c3ccccc3n2 S0D 2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole +c1cc2c(cc1C(F)(F)F)sc(n2)N S0E 6-(trifluoromethyl)-1,3-benzothiazol-2-amine +c1cc(ccc1Cc2cnc(s2)N)Br S0F 5-(4-bromobenzyl)-1,3-thiazol-2-amine +CN1C(=C(C(=O)NC1=O)N2CCCCC2)N S0G 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione +C[C@@H](CP(=O)(O)O)O S0H (s)-2-hydroxypropylphosphonic acid +c1ccc(cc1)CN2CC(=O)Nc3c2cccc3 S0I 4-benzyl-3,4-dihydroquinoxalin-2(1h)-one +Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N S0J 4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine +c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3 S0K n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6 S0L 4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O S0N o-succinylbenzoyl-n-coenzyme a +CC(=O)Nc1ccc(cc1)C#N S0P ~{n}-(4-cyanophenyl)ethanamide +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O S0Q 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O S0S (3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol +c1c(nns1)C(=O)N2CCOCC2 S0V morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone +c1cc(ccc1CCC(=O)O)Cl S0W 3-(4-chlorophenyl)propanoic acid +Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O S0Y 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid +B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O S0Z methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate +CCOC(=O)NCCCNC(=O)OCC S10 diethyl propane-1,3-diylbiscarbamate +CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl S11 5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate +CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O S12 o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine +Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2 S13 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N S14 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O S16 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid +COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO S17 methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S18 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper +Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N S19 2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide +C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC S1A soraphen a +B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O S1B 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one +CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O S1C 3-(4-acetamidophenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)F S1D 3-(4-fluorophenyl)benzoic acid +B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O S1E n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide +c1ccc(cc1)CNc2ccc(cc2)C(=O)O S1G 4-[(phenylmethyl)amino]benzoic acid +CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N S1H 1-hexadecanosulfonyl-o-l-serine +c1cc(cnc1)CNc2ccc(cc2N)C(=O)O S1J 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid +B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O S1K 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC S1M methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate +C/C(=C\CCCC=O)/CCC=O S1N (~{e})-4-methylnon-4-enedial +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O S1P (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3 S1Q (5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O S1S 2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O S1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=O)N1CCC(CC1)C#N S1V 1-ethanoylpiperidine-4-carbonitrile +CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O S1W 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol +C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O S1Y [(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4 S1Z (2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O S20 (1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol +c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-] S21 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione +CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O S22 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol +C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O S23 n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine +c1cc(c(cc1O)O)SC(=O)O S24 s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate +c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN S25 n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide +CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O S26 ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate +CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2 S27 n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N S28 n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N S29 n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O S2A (1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside +[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O S2B 3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one +[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O S2C s-2-(boronoethyl)-l-cysteine +C[C@H](C(=O)O)NC(=O)c1ccccc1 S2D n-benzoyl-d-alanine +C(CC(=O)O)[C@@H](C(=O)O)O S2G (2s)-2-hydroxypentanedioic acid +SS S2H hydrogen disulfide +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO S2I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol +CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC S2J methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate +C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N S2K (2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid +c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O S2L 5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC S2M 2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate +CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O S2N s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate +c1cc(ccc1CCO)S(=O)(=O)N S2O 4-(2-hydroxyethyl)benzenesulfonamide +C(c1c(nsn1)O)[C@@H](C(=O)O)N S2P (2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C S2Q 3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)N S2S 4-(methylsulfonylamino)benzamide +CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O S2T (2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid +CN1CCC(CC1)OC(=O)c2cccc(c2)F S2V (1-methylpiperidin-4-yl) 3-fluoranylbenzoate +Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F S2W ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine +CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O S2X 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +COc1ccc(cc1)NCc2ccc(cc2)F S2Y ~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC S2Z 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N S30 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S31 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S32 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S33 (2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide +c1cnccc1CNC(=O)CC#N S34 2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide +Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O S35 (3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid +CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2 S36 3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone +CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O S37 (2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N S38 4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide +CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O S3A (2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCC(=O)Oc1c(cccc1C(=O)O)C S3B 3-methyl-2-(propanoyloxy)benzoic acid +c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl S3C (2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid +[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe] S3F oxidized [fe4-s3] cluster +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3 S3G 5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +SSS S3H trisulfane +c1ccc(cc1)C2CCN(CC2)CC(=O)O S3J 2-(4-phenylpiperidin-1-yl)ethanoic acid +Cn1c(cc(n1)CO)c2ccccc2 S3M (1-methyl-5-phenyl-pyrazol-3-yl)methanol +c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F S3N 7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3 S3O n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O S3P shikimate-3-phosphate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC S3Q 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine +CCOC(=O)Cc1ccncc1 S3S ethyl 2-pyridin-4-ylethanoate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC S3T ~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +c1cnccc1C(=O)O S3V pyridine-4-carboxylic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O S3W n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide +c1cc(ccc1N2C[C@@H](NN2)CO)Cl S3Y [(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC S3Z ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4 S40 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide +Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C S41 n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN S42 6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine +CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 S43 (4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O S44 (2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid +c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl S45 (3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine +CN1CCN(CC1)C(=O)c2ccc(cc2)O S46 (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone +c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5 S47 (3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) +Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5 S48 methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N S49 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N S4A 2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate) +B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O S4B {4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O S4C 4'-thio-4'-deoxy-cytosine-5'-monophosphate +C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3 S4D (1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine +COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5 S4E n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N S4G 2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate) +SS(=S)S S4H trithiosulfurous acid +CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6 S4K 1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide +C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S4M 5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine +C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F S4N (r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine +SSSS S4P dihydrogen tetrasulfide +CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F S4Q 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6 S4T n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O S4U 4-thiouridine-5'-phosphate +c1ccc(c(c1)N)Nc2ccccn2 S4V ~{n}2-pyridin-2-ylbenzene-1,2-diamine +CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl S4W 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine +c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl S4Y (2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide +CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F S4Z 2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide +c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5 S51 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5 S52 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F S53 [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N S54 n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3 S55 methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate +CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N S56 (2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide +COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2 S57 1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole +c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br S58 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole +c1cc(ccc1CCC(=O)O)c2ccc(cc2)O S5A 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid +Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O S5B 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N S5D (r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F S5E 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide +CC1([C@@H](SC(=S)N1C)NO)C S5G (5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C S5H 5-alpha-pregnane-3-beta-ol-hemisuccinate +COc1ccccc1N2CCN(CC2)CC#N S5J 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile +B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O S5K [(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid +CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 S5M 4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S S5P 6-sulfanyluridine-5'-phosphate +SSS(S)S S5S 2-sulfanyl-2lambda~4~-tetrasulfane +O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1 S5T monolacunary keggin (sta) +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC S5W macrocyclic safit analogue 55 +CCOCCOCCS S5Y 2-(2-ethoxyethoxy)ethanethiol +c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O S5Z 4-phenyl-2-(sulfanylmethyl)benzoic acid +Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N S60 6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F S61 (s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid +c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O S62 1,3-benzothiazole-2,5-disulfonic acid +COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3 S64 (3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine +[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl S65 heptachlor endo-epoxide +C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S68 endosulfan +Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O S69 n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +c1cc(c(cc1CO)Cl)n2ccnc2 S6B 3-chloranyl-4-imidazol-1-yl-benzaldehyde +C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F S6D 2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6E (-)cis-chlordane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N S6G 6-thio-2'-deoxyguanosine-5'-monophosphate +C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6H (+)cis-chlordane +c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N S6I 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O S6J 6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN S6L 2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide +CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C S6M [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O S6P d-sorbitol-6-phosphate +c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S6Q ~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O S6S 2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl S6T pretilachlor +c1ccc(cc1)NC(=O)NCCN2CCCC2=O S6V 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea +c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F S6W fipronil +CC(C)CC1=NC(=O)NC(=C1)C(=O)O S6Y 6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid +CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C S6Z oxadiazon +C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O S70 3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN S71 (r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine +Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC S72 1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F S73 (2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol +c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5 S74 3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid +CNC1=CC(=O)NC(=O)N1 S76 6-(methylamino)-1h-pyrimidine-2,4-dione +Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F S77 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine +CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4 S78 2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium +c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N S79 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1CN(CCN1)C(=O)CC(F)(F)F S7A 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one +Cc1cccc(c1OC(=O)C2CC2)C(=O)O S7B 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid +C[C@H]1CN(CCO1)C(=O)Cn2cccn2 S7D 1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N S7E 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide +CC(=O)N[C@@H]1Cc2ccccc2NC1 S7G ~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide +C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O S7H 1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione +c1c(cnc(n1)C(F)(F)F)C(=O)N S7J 2-(trifluoromethyl)pyrimidine-5-carboxamide +Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N S7K (s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S7M [(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium +C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1 S7N (phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O S7P 1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose +C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 S7Q (phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +CCCC(=O)Nc1nnn(n1)CC S7S ~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C S7T 4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CN2CCO[C@H](C2)CO S7V [(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol +C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F S7W tegafur +Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O S7Y alosetron +c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO S7Z (e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol +CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC S80 n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N S81 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside +CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4 S82 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F S84 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC S85 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O S87 ondansetron +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F S88 n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 S89 n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide +c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O S8A (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid +CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 S8B ~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide +CCNC(=O)CN1C[C@H](OC[C@@H]1C)C S8D 2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide +CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O S8E 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine +c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3 S8F 3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine +C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N S8G 1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one +CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N S8H (2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid +CCOc1cccc(c1)C(=O)Nc2nnn(n2)C S8J 3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide +CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S8K ~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N S8M (2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol +CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C S8N (2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone +Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2 S8P 5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide +C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC S8Q 2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F S8T 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine +C1COC[C@@H]1CNC2CC2 S8V ~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine +CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 S8W ~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 S8Y 5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F S8Z (8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3 S90 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine +Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N S91 [4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid +c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4 S94 4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)O S95 isoquinoline-5-sulfonic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3 S97 6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N S98 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O S99 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C S9A ~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide +c1cc2cnccc2c(c1)C(=O)O S9B isoquinoline-5-carboxylic acid +c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3 S9D 2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine +c1cc(ncc1C=O)n2ccnc2Br S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde +C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3 S9G cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone +COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9H 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one +COc1ccccc1OCC(=O)NN S9J 2-(2-methoxyphenoxy)ethanehydrazide +c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9K 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one +C(COCCOCCOP(=O)(O)O)O S9L 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate +c1c(cc(c(c1[C@H]2CCNN2)O)F)F S9M 2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol +c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F S9N 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid +Cc1nc2ccc(cc2o1)O S9P 2-methyl-1,3-benzoxazol-6-ol +c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F S9Q 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one +CS(=O)(=O)NCCc1ccc(cc1)F S9S ~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide +COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC S9T (1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl S9V 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea +c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br S9W ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide +CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C S9Y 2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br S9Z ~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SA0 2-(hydroxymethyl)phenyl beta-d-glucopyranoside +C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O SA1 (3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde +C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O SA2 (3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine +c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O SA3 2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione +CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O SA6 (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SA8 s-5'-azamethionine-5'-deoxyadenosine +c1ccc(c(c1)CO)O SA9 2-(hydroxymethyl)phenol +C[C@](c1ccccc1)(C(=O)O)O SAA (s)-atrolactic acid +c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N SAB 4-sulfonamide-[1-(4-aminobutane)]benzamide +CC(=O)N[C@@H](CO)C(=O)O SAC n-acetyl-serine +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N SAD beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N SAE selenazole-4-carboxyamide-adenine dinucleotide +C[C@@H](c1cccc(c1)O)N(C)C SAF 3-[(1s)-1-(dimethylamino)ethyl]phenol +C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F SAG (s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide] +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N SAH s-adenosyl-l-homocysteine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N SAI s-adenosyl-l-homoselenocysteine +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O SAJ (2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid +COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O SAK (2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one +c1ccc(c(c1)C(=O)O)O SAL 2-hydroxybenzoic acid +C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SAM s-adenosylmethionine +c1cc(ccc1N)S(=O)(=O)N SAN sulfanilamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N SAO 5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N SAP adenosine-5'-diphosphate monothiophosphate +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O SAQ 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNCC(=O)O SAR sarcosine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O SAS 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid +C(C(=O)O)S(=O)(=O)O SAT sulfoacetic acid +C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6 SAU 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium +Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC SAV n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O SAW (1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide +CCCCCCCCCCCCOc1cccc(c1C(=O)O)O SAX 2-(dodecyloxy)-6-hydroxybenzoic acid +c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O SAY [(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C SAZ (1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Sb+3] SB antimony (iii) ion +COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F SB0 trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol +CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C SB1 (21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane +C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 SB2 4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3 SB3 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F SB4 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F SB5 4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F SB6 4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole +c1ccc(cc1)CCCN(CO)O SB7 [hydroxy(3-phenylpropyl)amino]methanol +c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O SB8 2-(3-benzoylphenoxy)ethyl(hydroxy)formamide +Cc1cccc(n1)CCCN(C=O)O SB9 hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide +CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 SBA carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone +CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3 SBB n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide +c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N SBC 1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBD d-naphthyl-1-acetamido boronic acid alanine +B1(OCCO1)O SBE 1,3,2-dioxaborolan-2-ol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4 SBF n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +C[P@](=O)(O)OC[C@@H](C(=O)O)N SBG o-[(s)-hydroxy(methyl)phosphoryl]-l-serine +C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O SBH (s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate +c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3 SBI sorbinil +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN SBJ [(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate +c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl SBK triclopyr +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBL l-naphthyl-1-acetamido boronic acid alanine +CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC SBM 2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C SBN 2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile +O[Sb](O)O SBO trihydroxyantimonite(iii) +B1(OCCO1)OCCCNC(=[NH2+])N SBP [3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine +COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SBQ methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate +C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBR (r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBS (s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +CC[C@H](C)O SBT 2-butanol +CCCC SBU sec-butyl group +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O SBV (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside +c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N SBW n-(3-hydroxybenzyl)-4-sulfamoylbenzamide +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3 SBX 1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] SBY 3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate +B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N SBZ [4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O SC 2-deoxy-cytidine-5'-thiophosphorate +CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O SC0 (6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid) +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O SC1 [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +CC(=O)N[C@@H](CS)C(=O)O SC2 n-acetyl-l-cysteine +CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C SC3 7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione +COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl SC4 1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene +C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN SC5 2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol +Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O SC6 n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C SC7 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4 SC8 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F SC9 6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O SCA succinyl-coenzyme a +COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4 SCB 2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid +CCS SCC thioethyl group +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O SCD succinyl(carbadethia)-coenzyme a +Cc1cnc2n1ccnc2NCc3ccncc3 SCE 3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F SCF 5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SCG secologanin +CSSC[C@@H](C(=O)O)N SCH s-methyl-thio-cysteine +C(C[C@@H](C(=O)O)N)C/N=C(/N)\S SCI l-thiocitrulline +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4 SCJ 3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C SCK 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium) +CC(=O)ONC(=O)c1ccccc1O SCL acetic acid salicyloyl-amino-ester +C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O SCM spectinomycin +C(#N)[S-] SCN thiocyanate ion +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O SCO succinamide-coa +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O SCP [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br SCQ 3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SCR sucrose octasulfate +CCSSC[C@@H](C(=O)O)N SCS 3-(ethyldisulfanyl)-l-alanine +CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO SCT (south)-methanocarba-thymidine +C[N+](C)(C)CCOC(=O)CCC=O SCU n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium +CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N SCV n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine +c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 SCW 3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine +CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F SCX n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine +CC(=O)SC[C@@H](C(=O)O)N SCY s-acetyl-cysteine +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5 SCZ 3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C SD1 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS SD2 n-(sulfanylacetyl)tyrosylprolylmethioninamide +C([C@H](C(=O)O)N)C(=O)NO SD3 n-hydroxy-d-asparagine +C([C@@H](C(=O)O)N)C(=O)NO SD4 n-hydroxy-l-asparagine +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F SD5 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine +CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 SD8 2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester +c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N SDA 4-amino-3,5-dichlorobenzenesulfonamide +C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N SDB (4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N SDC s-[2-(aminosulfonyl)ethyl]-d-cysteine +C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O SDD d-sorbose +c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O SDE (s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S SDF [(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N SDG 2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O SDH (5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione +c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O SDJ (2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 SDK 1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone +C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O SDL 2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione +CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O SDN [(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid +CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O SDO n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide +CCOP(=O)(OCC)OC[C@@H](C(=O)O)N SDP 2-amino-3-(diethoxy-phosphoryloxy)-propionic acid +c1ccc(cc1)CS SDQ phenylmethanethiol +CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C SDR (2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid +CCCCCCCCCCCCOS(=O)(=O)O SDS dodecyl sulfate +Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O SDT 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione +c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F SDV n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O SDX s-citryldethia coenzyme a +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O SDY beta-d-talopyranose +c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O SDZ 1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine +[SeH2] SE selenium atom +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2 SE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)C=C(C(=O)O2)O SE2 3-hydroxy-2h-chromen-2-one +[O-][Se](=O)(=O)[O-] SE4 selenate ion +c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl SE5 4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid +C([C@@H](C(=O)O)N)[Se](=O)O SE7 2-amino-3-selenino-propionic acid +C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O SE8 5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid +C(CS)N SEA thioethylamine +c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N SEB o-benzylsulfonyl-serine +C([C@@H](C(=O)O)N)[SeH] SEC selenocysteine +[B-](O)(O)(O)OC[C@@H](C(=O)O)N SEE trihydroxy(l-serinato-kappao~3~)borate(1-) +CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F SEF ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate +C([C@@H](C(=O)O)N)O SEG hydroxyalanine +CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 SEH s-benzyl phenylacetothiohydroximate-o-sulfate +CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3 SEI 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide +C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O SEJ beta-d-arabinopyranose +C(#N)[Se-] SEK selenocyanate ion +C(C(CO)N)O SEL 2-amino-1,3-propanediol +c1ccc(cc1)COC[C@@H](C(=O)O)N SEM o-benzyl-l-serine +CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N SEN o-[n,n-dimethylphosphoramidate]-l-serine +C(CS)O SEO 2-mercaptoethanol +C([C@@H](C(=O)O)N)OP(=O)(O)O SEP phosphoserine +C([C@@H](C(=O)O)N)O SER serine +C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 l-serine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])O SER_LEO2H l-serine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG l-serine-c-terminal protonated fragment/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG l-serine-c-terminal deprotonated fragment/with side chain deprotonated og +C([C@@H](C(=O)O)N)O SER_LFOH l-serine free neutral +C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG l-serine-free neutral/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW l-serine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG l-serine-free zwitterion/with side chain deprotonated og +C([C@@H]([C-]=O)[NH-])O SER_LL l-serine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG l-serine-linking embedded fragment/with side chain deprotonated og +C([C@@H]([C-]=O)[NH3+])O SER_LSN3 l-serine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG l-serine-n-terminal protonated fragment/with side chain deprotonated og +CCCCc1c([se]c(n1)N)CCC SES 4-butyl-5-propyl-1,3-selenazol-2-amine +C([C@@H](C(=O)N)N)O SET aminoserine +CCSC(=N)N SEU s-ethylisothiourea +COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SEV 3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide +C(=[Se])(N)N SEY selenourea +Cc1cc(cc(c1)C)C SEZ 1,3,5-trimethylbenzene +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF1 1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid +COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF2 5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe] SF3 fe4-s3 cluster +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 SF4 iron/sulfur cluster +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC SF5 methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate +C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O SF6 alpha-l-psicofuranose +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F SF7 (3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide +C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O SF8 (2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid +C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O SF9 beta-l-psicofuranose +CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C SFA sanglifehrin a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N SFB (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O SFC (s)-ibuprofenoyl-coenzyme a +Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O SFD (s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid +c1ccc(cc1)C(CC(=O)O)N SFE (3s)-3-amino-3-phenylpropanoic acid +C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2 SFF (4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N SFG sinefungin +c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O SFH 5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O SFI 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O SFJ (2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid +CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O SFK n-(4-methylpentanoyl)-l-phenylalanine +F[Sc-](F)(F)F SFL scandium tetrafluoride +C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O SFM (13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone +[O-]S(=O)=O SFN sulfonate group +O[SH](=O)O SFO sulfonic acid +c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3 SFP 5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine +c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I SFQ 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid +C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O SFR (2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid +[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45 SFS fe4-se4 cluster +CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O SFT sulfogalactoceramide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O SFU methyl 1-seleno-alpha-l-fucopyranoside +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O SFV [[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3 SFW 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole +CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F SFX (3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N SFY 4-amino-n-(pyridin-2-yl)benzenesulfonamide +c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O SG1 3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide +CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N SG2 1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide +C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F SG3 [(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG4 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose +CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N SG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose +CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N SG6 4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG7 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl SG8 3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O SG9 spongistatin-1 +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O SGA 3-o-sulfo-beta-d-galactopyranose +CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N SGB o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O SGC 4-thio-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S SGD 6-thio-alpha-d-glucopyranose +C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 SGE 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O SGF (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O SGG [(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid +Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3 SGH 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole +c1cc(ccc1CCC(=O)N)O SGI 3-(4-hydroxyphenyl)propanamide +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O SGJ 1,4-dideoxy-4-thio-nojirimycin +c1ccnc(c1)CNCC(=O)O SGK 2-(pyridin-2-ylmethylamino)ethanoic acid +C([C@H](CSO)O)O SGL 1-hydroxy-1-thio-glycerol +C([C@H](CS)O)O SGM monothioglycerol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O SGN 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N SGP guanosine-2',3'-cyclophosphorothioate +CO[P@](=O)(N)OC[C@@H](C(=O)O)N SGR o-[(r)-amino(methoxy)phosphoryl]-l-serine +COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SGS (e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N SGT 2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N SGV sangivamycin +COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl SGW 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one +COP(=O)(N)OC[C@@H](C(=O)O)N SGX o-[(s)-amino(methoxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CC=O SGZ 2-naphthalen-1-ylethanal +C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SH0 3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate +C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1 SH1 n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH2 (r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH3 n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-] SH4 (1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N SH5 5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine +C(CCCC(=O)O)CCCBr SH6 8-bromooctanoic acid +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl SH7 (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O SH8 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid +c1ccc(c(c1)C(=O)NO)O SHA salicylhydroxamic acid +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O SHB methyl beta-d-galactopyranuronate +CCCCCCSC[C@@H](C(=O)O)N SHC s-hexylcysteine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O SHD alpha-d-altropyranose +CC(=O)CCC(=O)O SHF laevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O SHG 2-deoxy-2-fluoro-beta-d-glucopyranose +c1ccc(cc1)NC(=O)CCCCCCC(=O)NO SHH octanedioic acid hydroxyamide phenylamide +c1c(c(no1)O)C[C@@H](C(=O)O)N SHI (s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid +CC1=C(C(=O)C=C(O1)C(=O)O)O SHL 5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2 SHM homobiotin +CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O SHN 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +C(CCO)CC(=O)O SHO 5-hydroxylaevulinic acid +c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SHP (4-hydroxymaltosephenyl)glycine +C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N SHR n-(5-amino-5-carboxypentyl)glutamic acid +C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O SHT o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine +CC(=O)CC(=O)CCC(=O)O SHU 4,6-dioxoheptanoic acid +CCCCCCC(=O)O SHV heptanoic acid +CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O SHW s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate +Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl SHX nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N SHY 4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI0 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N SI1 n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SI2 o-sialic acid (chair conformation) +CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O SI3 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI4 [cuii(biot-pr-dpea)]2+ +Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N SI5 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4 SI6 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI7 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI8 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI9 [cuii(biot-bu-dpea)]2+ +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SIA n-acetyl-alpha-neuraminic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O SIB (2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid +C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N SIC (2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O SID methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N SIE sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester +C[Si](C)(C)C(CC(=O)O)C(=O)O SIF 3-trimethylsilylsuccinic acid +C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C SIG stigmatellin +CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C SIH progesterone-11-alpha-ol-hemisuccinate +CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 SII n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3 SIJ 6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C SIL [(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C SIM simvastatin acid +C(CC(=O)O)C(=O)O SIN succinic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C SIO methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F SIP 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SIR cobalt sirohydrochlorin +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O SIS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] SIW keggin (sta) +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F SIX 2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O SIZ 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C SJ1 n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide +[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C SJ2 ~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide +C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O SJ5 (3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid +c1cc(ccc1/C=C/C(=O)O)F SJ8 (~{e})-3-(4-fluorophenyl)prop-2-enoic acid +C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C SJA amorphadiene +COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SJD 3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide +CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJG ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3 SJJ 5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide +C1CSC2=NC=C(C(=O)N21)C(=O)NCCS SJK 5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide +CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJM ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide +Cc1ccc2c(n1)NC=C(C2=O)C(=O)O SJN 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N SJP (2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide +C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F SJQ 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one +COc1ccc(cc1)C(=O)Nc2ccccn2 SJR 4-methoxy-n-(pyridin-2-yl)benzamide +c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F SJS 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C SJT spliceostatin a (form ii) +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC SJV methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +c1cc(cnc1)CCC=O SJW 3-pyridin-3-ylpropanal +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O SJY 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid +Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 SJZ (~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O SK0 (1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N SK1 n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O SK2 (3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester +c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O SK3 (1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol +COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C SK4 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide +c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F SK5 (e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N SK6 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO SK7 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F SK8 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole +Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C SK9 (1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1cc(c(c2c1CCNC2)Cl)Cl SKA 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F SKB (e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one +CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O SKD 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid +c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide +c1cc2c(cc1S(=O)(=O)N)CNCC2 SKF 1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide +C[C@H]([C@@H](C(=O)O)N)C(C)C SKG 4-methylisoleucine +C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O SKH (3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +CCC[C@@H](C)[C@@H](C(=O)O)N SKJ beta-methylnorleucine +Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N SKK n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O SKM (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid +B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O SKN ((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid +Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC SKO n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O SKP 5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid +C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl SKQ 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O SKT (3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F SKV 2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide +C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br SKW ~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O SKY 1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole +C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O SKZ [2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron +CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C SL0 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside +c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O SL1 n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide +CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C SL2 3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C SL3 2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O SL4 5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile +C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O SL5 (2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid +c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl SL6 (z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O SL7 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br SL8 ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O SLA omuralide, open form +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SLB n-acetyl-beta-neuraminic acid +C=C(C[SeH])C(=O)N1CCCC1C(=O)O SLC seleno-captopril +CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C SLD (3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide +CC(C)C[C@H](CS)C(=O)O SLE 2-(thiomethylene)-4-methylpentanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O SLF sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine +CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl SLG 2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid +c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O SLH (2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +c1ccc(cc1)NC(=O)c2ccccc2O SLI 2-hydroxy-n-phenylbenzamide +CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O SLJ 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N SLK ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N SLL (2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O SLM (2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide +CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C SLN 1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O SLO 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid +C(C[SeH])C(=O)O SLP 3-selanylpropanoic acid +CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 SLQ (2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O SLR (3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline +c1cc2c(cc1C(=O)N)CCCO2 SLS 3,4-dihydro-2~{h}-chromene-6-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O SLT 5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose +c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O SLU 5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine +CCCc1ccc(cc1O)NC(=O)C SLV ~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide +CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl SLW 4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide +COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC SLX (13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol +c1ccc(cc1)Oc2ccccc2CN SLY (2-phenoxyphenyl)methanamine +C(CSC[C@@H](C(=O)O)N)N SLZ l-thialysine +[Sm+3] SM samarium (iii) ion +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2 SM1 n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide +B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O SM2 (1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid +B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O SM3 (1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid +B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O SM4 (1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid +c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O SM5 (1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime +CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO SM6 ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate +c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4 SM7 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C SM8 simocyclinone d8 +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C SM9 n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide +C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC SMA stigmatellin a +CC[C@H](C)C(=O)O SMB 2-methylbutanoic acid +CSC[C@@H](C(=O)O)N SMC s-methylcysteine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SMD methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside +C[S@@](=O)CC[C@@H](C(=O)O)N SME methionine sulfoxide +c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O SMF 4-sulfomethyl-l-phenylalanine +CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O SMG n-succinyl methionine +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C SMH n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide +C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O SMI spectinomycin +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N SMK (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CS(=O)(=O)c1ccccc1 SML phenyl methyl sulfone +COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N SMM s-adenosylmethionine methyl ester +c1ccc(cc1)[C@@H](C(=O)O)O SMN (s)-mandelic acid +O=[Mo](=O)=S SMO dioxosulfidomolybdenum(vi) ion +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O SMP 2'-deoxy-adenosine-5'-sp-monomethylphosphonate +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C SMQ simocyclinone c4 +CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C SMR n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide +CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C SMS sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC SMT 2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate +c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1 SMU [5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese +c1cc(sc1)C(=S)N SMV thiophene-2-carbothioamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC SMW (2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O SMX (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1 SMY (2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC SMZ n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine +CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O SN0 n-(3-carboxypropanoyl)-l-norvaline +c1cc(c(cc1O)O)\C=C\C(=O)O SN1 2,4-dihydroxy-trans cinnamic acid +c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N SN2 5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide +[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O SN3 (r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate +COc1ccc(cn1)C(=S)N SN4 6-methoxypyridine-3-carbothioamide +CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SN5 2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C SN6 1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C SN7 4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate +Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C SN8 1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C SN9 8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O SNA n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid +COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br SNB 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline +C([C@@H](C(=O)O)N)SN=O SNC s-nitroso-cysteine +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N SND thionicotinamide-adenine-dinucleotide +CC(C)[C@@]12CCC(=C)[C@@H]1C2 SNE sabinene +C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 SNF (n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O SNG methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside +Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C SNH 5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se] SNI 9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione +c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3 SNJ 2,5-diphenyl-4~{h}-pyrazol-3-one +CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N SNK (2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid +CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C SNL spironolactone +CN(C)[C@@H](CO)C(=O)O SNM n,n-dimethyl-l-serine +C1[C@@H](C(=O)NC1=O)N SNN l-3-aminosuccinimide +c1cc(ccc1[C@H]2CO2)[N+](=O)[O-] SNO (s)-para-nitrostyrene oxide +CC(C)NC[C@@H](COc1cccc2c1cccc2)O SNP 1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol +c1ccn(c1)c2ccc(cc2C#N)N SNQ 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile +C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 SNR norbiotin +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F SNS 3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine +Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4 SNT (e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine +c1ccn(c1)c2ccc(cc2)N SNU 4-(1h-pyrrol-1-yl)aniline +c1ccc(c(c1)N)N2CCN(CC2)CCO SNV 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol +C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O SNW deoxyfructosylglutamine +COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O SNX 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide +COc1cc(cc(c1O)OC)/C=C/C=O SNY (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal +c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O SNZ n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O SO1 [1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid +O=S=O SO2 sulfur dioxide +[O-]S(=O)[O-] SO3 sulfite ion +[O-]S(=O)(=O)[O-] SO4 sulfate ion +C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O SO5 (2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC SO7 (3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N SO8 2'-(l-isoleucyl)amino-2'-deoxyadenosine +c1ccc(c(c1)CO)N SOA isatoic anhydride +C([C@@H](C(=O)O)N)[SeH](=O)=O SOC dioxyselenocysteine +C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl SOD (1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci +C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O SOE alpha-l-sorbopyranose +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4 SOF 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone +CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SOG octyl 1-thio-beta-d-glucopyranoside +OS(=O)(=O)[O-] SOH hydrogen sulfate +c1ccc(cc1)Nc2ccc(cc2)N SOJ ~{n}4-phenylbenzene-1,4-diamine +C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O SOL l-sorbose +C[P@H](=O)O SOM methyl phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N SON adenosine phosphonoacetic acid +CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SOO s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate +CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O SOP [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate +CN[C@@H](CC(=O)O)C(=O)O SOQ n-methyl-l-aspartic acid +C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O SOR sorbitol +c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O SOS [(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate +C1COCCN1S(=O)(=O)O SOT morpholine-4-sulfonic acid +Cc1ccc(cc1C#N)N2C(=O)C=CC2=O SOV 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile +CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C SOX n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N SOY oxacillin-acylated serine +c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F SP0 3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N SP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C SP2 3,4-dihydrospheroidene +c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F SP3 n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide +CC(=O)NCCCNCCCCNCCCN SP5 n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide +c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4 SP6 benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate +C[C@@H](CCNCCCCN)NC(=O)C SP7 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide +C[C@@H](CCNCCCCN)NC(=O)c1ccccc1 SP8 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +C[C@H](CCNCCCCN)NC(=O)c1ccccc1 SP9 n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +c1cc(sc1)CC(=O)O SPA thiopheneacetic acid +c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O SPB 4-(4-styryl-phenylcarbamoyl)-butyric acid +COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC SPC n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide +C(CCNCCCN)CN SPD spermidine +C(CN)CNCCCNCCCN SPE thermine +CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C SPF sinapoyl coenzyme a +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O SPG 2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine +CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O SPH sphingosine +COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3 SPI n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide +C[C@H](CCNCCCCNCC[C@@H](C)N)N SPJ (3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] SPK spermine (fully protonated form) +CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O SPL octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide +C(CCNCCCN)CNCCCN SPM spermine +CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C SPN speroidenone +CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C SPO spheroidene +CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C SPP (1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O SPQ (3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C SPR spiramycin i +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC SPS sparsomycin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O SPT 5'-thio-thymidine phosphonic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O SPU 2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium +C(C(=O)C(=O)O)S(=O)(=O)O SPV sulfopyruvate +[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H] SPW n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC SPX sphinxolide b +c1cnccc1S(=O)(=O)O SPY pyridine-4-sulfonic acid +C[C@@H](CCNCCCCNCC[C@H](C)N)N SPZ (3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +CCNC1C(C(=O)C1=O)NC SQ 3-ethylamino-4-methylamino-cyclobutane-1,2-dione +C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO SQ0 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione +C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SQ1 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper +CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SQ2 2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one +c1cc(ccc1N)N2C(=O)C=CC2=O SQ4 1-(4-aminophenyl)pyrrole-2,5-dione +c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3 SQ5 (5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione +c1cc(ccc1N2C(=O)C=NC2=O)Cl SQ7 3-(4-chlorophenyl)imidazole-2,4-dione +CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F SQ8 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one +Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N SQ9 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide +CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C SQA 2-azasqualene +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC SQB 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC SQD 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol +CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N SQE 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1NC(=O)CC#N)OC(F)(F)F SQG 2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide +c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O SQH 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F SQK 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C SQL (6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene +Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N SQM 4-benzamido-2-methyl-pyrazole-3-carboxamide +c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O SQO 2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(c(c1)c2ccc(cc2)N)C(=O)O SQP 2-(4-aminophenyl)benzoic acid +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC SQQ 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O SQS (2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol +CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C SQU 2,10,23-trimethyl-tetracosane +C[C@@H](c1cc(ccn1)OC)C(=O)OC SQV methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate +CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2 SQW propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate +C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C SQX 13-desmethyl spirolide c +COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2 SQY methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate +C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6 SQZ 5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole +[Sr+2] SR strontium ion +C(CC[NH2+]CCC[NH3+])C[NH3+] SR0 n~1~-(3-azaniumylpropyl)butane-1,4-diaminium +CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O SR1 5-s-methyl-5-thio-alpha-d-ribofuranose +CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br SR2 (2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O SR3 (2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid +c1ccc2c(c1)C(=CCCO2)C(=O)O SR4 2,3-dihydro-1-benzoxepine-5-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC SR5 (2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid +c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5 SR7 n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3 SR8 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea +CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4 SR9 (2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N SRA adenosine -5'-thio-monophosphate +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRB l-1-naphthyl-2-acetamido-ethane boronic acid +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRD d-1-naphthyl-2-acetamido-ethane boronic acid +CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl SRE (1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine +CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SRG (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid +CCOC(=O)CCC(=O)N1CCc2c1cccc2 SRH ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +[H]/N=C(\CO)/C(=O)O SRI (2z)-3-hydroxy-2-iminopropanoic acid +c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O SRJ (3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol +c1ccc2c(c1)CCN2C(=O)CCC(=O)O SRK 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid +CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC SRL [2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester +C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O SRM siroheme +C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C SRN sorangicin a +c1cc2c(cc1O)c(c[nH]2)CCN SRO serotonin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N SRP seryl adenylate +c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F SRQ 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC SRR 4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol +CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O SRS 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine +[C@H]([C@H](C(=O)O)O)(C(=O)O)O SRT s,r meso-tartaric acid +CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC SRV (2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid +CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C SRX chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+) +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O SRY streptomycin +C(CO)COC[C@@H](C(=O)O)N SRZ propoxy-l-serine +CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N SS0 (8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine +C[C@@H](c1ccccc1)O SS1 1-phenylethanol +C[C@H](c1ccccc1)O SS2 (1r)-1-phenylethanol +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N SS3 (2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N SS4 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N SS5 (2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N SS6 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C SS7 4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate +c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O SS8 3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid +C(CCNCCCN)CCS SS9 5-[(3-aminopropyl)amino]pentane-1-thiol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N SSA 5'-o-(n-(l-seryl)-sulfamoyl)adenosine +CCCC[C@H]1CC[S@](=O)C1 SSB 3-butylthiolane 1-oxide +C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O SSC (2s,5s)-5-carboxymethylproline +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O SSD 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSE 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC SSF 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O SSG 1,4-dithio-beta-d-glucopyranose +C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O SSH 3-deoxy-d-arabino-hexonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO SSI [(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid +CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C SSJ 2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N SSK (1s,2s)-1,2-diphenylethane-1,2-diamine +CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C SSL (3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate +CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC SSM (2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide +C(CC(=O)O)C=O SSN 4-oxobutanoic acid +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSO 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +CCCSSCCC SSP dithiobis-(propane) +c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl SSQ 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 SSR 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol +c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O SSS n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid +C([C@@H](C([C@H](CO)O)O)O)O SST l-arabinitol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O SSU uridine-5'-phosphorothioate +C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C SSV (3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one +c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F SSW 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +CC(=O)c1cccc(c1)NC(=O)C(F)(F)F SSY ~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide +CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-] ST1 4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid +CC(=O)Nc1c(cc(cc1O)C(=O)O)N ST2 4-(acetylamino)-5-amino-3-hydroxybenzoic acid +CC(=O)Nc1ccc(cc1N)C(=O)O ST3 4-(acetylamino)-3-amino benzoic acid +CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O ST4 4-(acetylamino)-3-guanidinobenzoic acid +CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O ST5 4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid +CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O ST6 4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid +[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC ST7 n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide +c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N ST8 4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide +CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ST9 stearoyl-coenzyme a +CC(C)C[C@@H]([C@H](CC(=O)O)O)N STA statine +c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N STB 4-sulfonamide-[4-(thiomethylaminobutane)]benzamide +c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl STC 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid +C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C STD streptolydigin +CCCCCCCCCCCCCCCCCC(=O)O STE stearic acid +c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F STF (5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O STG estriol 3-(b-d-glucuronide) +c1ccc2c(c1)C(S[C@H](O2)N)O STH 2-amino-4h-1,3-benzoxathiin-4-ol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C STI 4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide +c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F STJ 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide +c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2 STK 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O STL resveratrol +Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC STM methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate +CC(C)C[C@H](CN(C=O)O)C(=O)O STN 2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STO staurosporine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N STP 2'-deoxyadenosine 5'-o-(1-thiotriphosphate) +c1ccc2c(c1)CCC[C@@H]2N STQ (1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C STR progesterone +c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2 STS 2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O STT 2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STU staurosporine +CCS(=O)(=O)NCc1ccc2c(c1)OCO2 STV ~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O STW stachyose +CC(C)(C)c1nnc(o1)C(=O)CNC STX 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O STY tyrosine-o-sulphonic acid +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O STZ streptozotocin +COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N SU0 2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide +Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O SU1 3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone +c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O SU2 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone +CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C SU3 (5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide +C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O SU4 n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3 SU5 1~{h}-indol-2-yl(pyridin-3-yl)methanone +Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O SU6 3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid +c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile +CCCC[C@H](CC(=O)O)C(=O)O SU8 (2r)-2-butylbutanedioic acid +COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2 SU9 (3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one +c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N SUA (4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester +CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C SUB 3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SUC sucrose +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O SUD 4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate +CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1 SUE (1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide +CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O SUF [2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid) +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N SUG n~2~-(3-carboxypropanoyl)-l-arginine +C[C@@H](CC(=O)O)C(=O)O SUH (2s)-2-methylbutanedioic acid +C1[C@@H](C(=O)N(C1=O)CC(=O)O)N SUI (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid +C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O SUJ (2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid +[O-]S(=O)(=O)[O-] SUL sulfate anion +CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N SUN o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN SUO n~2~-(3-carboxypropanoyl)-l-ornithine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O SUP sucrose-6-phoshpate +c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl SUQ 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O SUR 1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O SUS 2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SUT 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5 SUV [(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O SUW me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl SUY (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O SUZ [(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid +c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N SV1 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N SV2 [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) +Cc1cccnc1N2CCCNCC2 SV4 1-(3-methylpyridin-2-yl)-1,4-diazepane +c1ccc(cc1)Cn2ccc3c2C=CNC3=O SV5 1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5 SV6 (1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide +c1ccc(cc1)P(=O)(O)O SV7 phenylphosphonic acid +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O SV8 3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-] SVA serine vanadate +CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S SVB n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide +CC(C)(C)[C@H]1CC(=O)N(N1O)C SVD (5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC SVE n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CC(=O)N1CCC(CC1)Cc2ccc(cc2)F SVF 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone +C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl SVG (~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine +c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F SVH 3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +CN1[C@@H]2CC[C@H]1CC(C2)N SVJ (1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine +c1ccc(cc1)Cc2c[nH]c3c2cccn3 SVK 3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3 SVM 1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea +c1cnc2c(n1)c(cs2)N SVN thieno[2,3-b]pyrazin-7-amine +CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl SVP chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium +c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl SVQ 1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid +Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O SVR 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid +c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O SVS 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +COc1ccc2c(c1)cn[nH]2 SVT 5-methoxy-1~{h}-indazole +C([C@@H](C(=O)O)N)O[P@](=O)(N)O SVV o-[(s)-amino(hydroxy)phosphoryl]-l-serine +C([C@@H](C(=O)O)N)O[P@@](=O)(N)O SVW o-[(r)-amino(hydroxy)phosphoryl]-l-serine +CCO[P@](=O)(C)OC[C@@H](C(=O)O)N SVX o-[(r)-ethoxy(methyl)phosphoryl]-l-serine +CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C SVY o-[bis(1-methylethoxy)phosphoryl]-l-serine +CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N SVZ o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine +c1cc(sc1)c2nc(cs2)CN SW1 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine +c1ccn(c1)c2cccc(c2)CN SW2 1-[3-(1h-pyrrol-1-yl)phenyl]methanamine +Cc1cc(nn1C)CN SW3 1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine +c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO SW4 2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol +c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SW5 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +Cc1ccc(cc1)C(=O)N SW7 4-methylbenzamide +c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SW8 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O SWA 1s-8ab-octahydro-indolizidine-1a,2a,8b-triol +Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O SWB 3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +c1csc2c1ncnc2Cl SWD 4-chloranylthieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SWE alpha-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O SWF s-warfarin +c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O SWG 2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid +[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O SWH {4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC SWI swinholide a +CC(=O)[C@H](CC#C)NC(=O)CN SWJ 2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide +c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SWK 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SWN 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F SWP methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate +CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SWQ 6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O SWS 7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide +Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2 SWT 6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F SWV ~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide +C(CSC[C@H](C(=O)O)N)O SWW (2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid +c1cc(ccc1CO)c2cncnc2 SWX (4-pyrimidin-5-ylphenyl)methanol +COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6 SWY 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione +O=S SX sulfur oxide +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br SX0 (2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name) +c1cc(c(cc1Br)C(=O)O)N SX1 2-amino-5-bromobenzoic acid +c1cc(ncc1Br)NC(=O)CCC(=O)O SX2 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C SX3 4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline +c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl SX4 4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C SX5 4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid +C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C SX6 n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide +CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N SX7 2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide +Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5 SX8 6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline +CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXA thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-] SXC bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+) +CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXD n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N SXE o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F SXG 2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXH s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate +c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O SXI (3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid +C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O SXJ (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid +c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O SXK [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O SXM 3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C SXN salinixanthin +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl SXQ 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O SXR n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide +c1cc2c(cc1N)S(=O)(=O)NC2=O SXS 6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide +CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXV n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide +COc1cc(cc(c1O)OC)\C=C\C(=O)O SXX sinapinate +CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O SXZ (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid +c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N SY1 2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile +CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SY2 n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine +CCCS(=O)(=O)Nc1cc(c(cc1F)F)N SY4 ~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide +CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N SY5 2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid +COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC SY7 2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine +CC(=O)CCCN SY8 5-azanylpentan-2-one +c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5 SY9 strychnine +COc1c(c(cc(c1F)F)C(=O)O)F SYA 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid +c1ccnc(c1)CP(=O)(O)O SYC (pyridin-2-ylmethyl)phosphonic acid +c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O SYD [(5-phenylpyridin-2-yl)methyl]phosphonic acid +c1ccc2c(c1)ccc(n2)CP(=O)(O)O SYE (quinolin-2-ylmethyl)phosphonic acid +CC[C@@H](c1ccccc1O)N SYG 2-[(1~{s})-1-azanylpropyl]phenol +C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SYH 2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one +c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2 SYJ 2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide +C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O SYM 2s,4r-4-methylglutamate +C=Cc1ccccc1 SYN ethenylbenzene +CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SYO [(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate +CCC(=O)NCCNc1cc(ncn1)NCCS SYP n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide +Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2 SYQ (s)-n-(1-cyclopropylethyl)-6-methylpicolinamide +COc1cc(cc(c1O)OC)C(=O)OC SYR syringate +C([C@@H](C(=O)O)N)[Se]CC(=O)N SYS 3-[(2-amino-2-oxoethyl)selanyl]-l-alanine +C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4 SYT (5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium +CN1c2ccc(cc2OC1=O)N SYV 6-azanyl-3-methyl-1,3-benzoxazol-2-one +C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C SYW (r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one +COC(=O)c1c(ccs1)NC(=O)Cc2cccs2 SYY methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate +Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O SYZ n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N SZ0 (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid +C1CCCC(CC1)N SZ1 cycloheptanamine +c1cnccc1c2nc(on2)C3CCCCC3 SZ2 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole +C1CC(CCC1N)O SZ3 trans-4-aminocyclohexanol +COc1cccc(c1)CN SZ4 1-(3-methoxyphenyl)methanamine +Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 SZ5 2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl SZ6 n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide +c1cc(sc1)/C=N/NC(=O)C2CC2 SZ7 ~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide +CN1C[C@@H](C[C@H]1C(=O)OC)N SZ8 methyl (4r)-4-amino-1-methyl-l-prolinate +Cc1cc(c(o1)C)CN SZ9 1-(2,5-dimethylfuran-3-yl)methanamine +c1cc(sc1)CCNC(=O)c2ccncc2 SZA ~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide +C1=CC(=O)NC1=O SZB succinimide +c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F SZC n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F SZD 3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide +CN1CC[N@](CC1=O)c2c(cccn2)F SZE 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F SZG ~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide +C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN SZH (2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F SZJ ~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide +CCn1c2ccccc2nc1NCc3ccco3 SZK (1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee +COc1c2c([nH]cn2)ncn1 SZL 6-methoxy-9h-purine +Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O SZN n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F SZP n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide +COc1cc(ccc1O)/C=C/C(=O)OC SZQ trans-methylferulate +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O SZS methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside +c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O SZV 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid +CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N SZW 3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile +Cc1ccncc1NC(=O)C SZY n-(4-methylpyridin-3-yl)acetamide +C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SZZ sinigrin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T thymidine-5'-monophosphate +c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N T00 n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T01 n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O T02 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1CSc2[nH]cnn2)F T03 3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole +c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F T04 2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C T05 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid +CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O T06 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N T07 5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine +Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O T08 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol +C1CC2=C(NC1)N=C(NC2=O)N T0A 5-deazatetrahydropterin +COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5 T0B [(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl T0D (2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F T0E 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O T0H (1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol +c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N T0I (2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid +c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N T0J n~1~-phenylpiperidine-1,4-dicarboxamide +CC[Hg]Sc1ccccc1C(=O)O T0M thiomersal +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0N ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F T0P [(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0Q ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3 T0R toremifene +CC(=O)NCc1ccc(cc1)S(=O)(=O)N T0S n-[(4-sulfamoylphenyl)methyl]acetamide +c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N T0T (1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol +c1cc(cc(c1)F)CNCc2ccco2 T0V 1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine +CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2 T0W 2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide +c1cscc1CN2CCC(CC2)O T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-ol +c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 T10 [1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F T11 4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine +CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-] T12 1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate +COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F T13 2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide +c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F T14 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene +Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C T15 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide +B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O T16 borolog2 +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C T17 {[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O T18 n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O T19 phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval +CC[As+](CC)(CC)CC T1A tetraethylarsonium ion +CCc1ccc2c(c1)nc([nH]2)c3cnnn3C T1B 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole +CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C T1C tigecycline +COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3 T1D 5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC T1E 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine +C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O T1G (2s,3s)-3-hydroxy-2-methylbutanoyl-coa +CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C T1H 2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide +c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O T1J 2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol +CCN(C)c1cc(nc2n1ccn2)c3ccccc3O T1K 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol +C[C@@H]1[C@H](CCCN1Cc2ccccc2)O T1M (2r,3r)-1-benzyl-2-methylpiperidin-3-ol +C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O T1N (2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid +CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2 T1O 5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T1P 3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F T1Q n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC T1R (1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)Cl)CN2CCOCC2 T1S 4-[(3-chlorophenyl)methyl]morpholine +c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4 T1T 7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2 T1V 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1CCCCN1C(=O)N2CCOCC2 T1W [(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F T1Y 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1n2cc(nn2)CO)Cl)Cl T1Z [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol +c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5 T20 3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide +c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O T21 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one +CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N T22 2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O T23 2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate +CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O T24 (9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid +CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O T25 (9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid +c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O T26 (2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid +Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N T27 4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile +c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N T28 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine +B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O T29 tri166 (bifunctional boronate inhibitor) +Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC T2A 5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine +c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I T2B 4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol +C1CS[C@H](N1)C(=O)O T2C (2s)-1,3-thiazolidine-2-carboxylic acid +c1ccc(cc1)N2CC(=O)NS2(=O)=O T2D 1,2,5-thiadiazolidin-3-one-1,1-dioxide +c1cc(cnc1)CNc2ccc(cc2C(=O)O)N T2E 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid +Cc1cccc(c1)CN2CCN(CC2)C(=O)C T2G 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one +CCOc1cccc(c1)c2nnc(s2)N T2H 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine +CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-] T2J 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl T2K 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid +CC(C)(C)OC(=O)NN(C)C#N T2M tert-butyl 2-cyano-2-methylhydrazinecarboxylate +O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1 T2N 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T2P 3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F T2Q 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C T2R (1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O T2S thymidine-5'-dithiophosphorate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O T2T [(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2 T2V 1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one +C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC T2W [(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate +CC(=O)NCc1ccc2c(c1)OCO2 T2Y n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O T2Z [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O T3 3,5,3'triiodothyronine +CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F T30 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O T31 thymidine 5'-monothiophosphate +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C T32 6'-alpha-methyl carbocyclic thymidine 5'-monophosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O T33 3,3'-deiodo-thyroxine +Cc1ccc(cc1NCc2ccccc2)C(=O)NO T34 4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide +CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC T35 2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T36 split linkage thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N T37 3'-amino-2'deoxythymidine 5'-monophosphate +CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O T38 2'-o-ethoxymethylene thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC T39 2'-o-methoxyethylene thymidine 5'-monophosphate +C(CNC(CO)(CO)CO)CS(=O)(=O)O T3A n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid +CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4 T3B 2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N T3C 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O T3D (~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N T3E 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3F (3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F T3G 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C T3H (2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide +CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F T3J 1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one +C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC T3K 3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one +COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N T3M 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid +CC(=O)Nc1ccc(cc1)OCC(=O)O T3N 2-(4-acetamidophenoxy)ethanoic acid +CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O T3O 4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O T3P thymidine-3'-phosphate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3Q [(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O T3S 5'-deoxy-5'-piperidin-1-ylthymidine +c1ccnc(c1)CNCc2ccc3c(c2)OCO3 T3T 1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F T3V 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(ccc1c2cn3c(n2)CC=NC3=O)I T3W 2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O T3Y 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid +Cc1cccc(n1)C(=O)N[C@H](C)C2CC2 T3Z (r)-n-(1-cyclopropylethyl)-6-methylpicolinamide +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4 T40 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC T41 1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate +B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O T42 morpholino-diphenylalanine-methoxypropylboronic acid +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N T44 3,5,3',5'-tetraiodo-l-thyronine +COC(=O)c1cn[nH]n1 T45 methyl 2h-1,2,3-triazole-4-carboxylate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O T46 dtdp-4-keto-6-deoxyglucose +CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl T47 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O T48 6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O T49 s4'-2'deoxythymidine 5'-monophosphate +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O T4A 3,3',5,5'-tetraiodothyroacetic acid +CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5 T4B ((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N T4D 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile +c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T4F (2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid +Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3 T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine +c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O T4H 3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide +CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 T4J n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T4K (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@@H](c1cccc2c1cccc2)NC(=O)C T4M n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide +COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2 T4N ~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T4P 3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS T4Q 2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide +CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T4S 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one +CCCCCCCCCCCCCCSCC(=O)O T4T 2-tetradecylsulfanylethanoic acid +CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3 T4V 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS T4W 2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide +Cc1ccccc1CN2CCCN(CC2)C(=O)C T4Y 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one +c1cc(ccc1SCC(=O)NCCCS)Cl T4Z 2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide +Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F T50 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T51 n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+] T52 n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T53 n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +c1cscc1[C@@H]2CCC[C@@H]2C(=O)N T54 (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide +CC(C)CCCCCCC(=O)O T55 8-methylnonanoic acid +c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO T56 (e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide +c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T57 n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 T58 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O T5A p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O T5B 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione +C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C T5C 2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium +c1ccnc(c1)C2(CCCC2)CO T5D [1-(pyridin-2-yl)cyclopentyl]methanol +CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C T5E 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone +C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T5F (2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid +c1cc(ccc1S(=O)(=O)N)Br T5G 4-bromobenzene-1-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O T5H 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione +Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C T5J 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T5K [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2 T5M 2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br T5N 2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5O 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T5P 3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F T5Q 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5S 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate +CC(C)(C(=O)NCCS)Oc1ccc(cc1)F T5T 2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1c(cncn1)N T5V pyrimidin-5-amine +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl T5W 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T5X 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol +c1ccnc(c1)O T5Y pyridin-2-ol +CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br T5Z 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO T61 3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N T62 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol +CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O T64 (6-4)photoproduct +CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O T65 2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O T66 2-aminoethyllysine-carbonylmethylene-thymine +CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3 T67 1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one +c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O T68 n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O T6A n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate +c1c(cc(c(c1Cl)O)Cl)Cl T6C 2,4,6-trichlorophenol +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O T6D alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside +c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F T6E 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T6F 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol +CC(C)(C(=O)NCCS)Oc1ccccc1 T6H 2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide +CS(=O)(=O)Cc1[nH]c2ccccc2n1 T6J 2-[(methylsulfonyl)methyl]-1h-benzimidazole +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O T6K (2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl T6M 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +Cc1ccc(cc1)OC(C)(C)C(=O)NCCS T6N 2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O T6P trehalose-6-phosphate +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N T6Q 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O T6S alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside +C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O T6T alpha-d-tagatopyranose +CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2 T6V n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide +CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O T6W 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl T6Y 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +CN1c2ccccc2C(=CC1=O)CP(=O)(O)O T6Z [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C T71 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F T72 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid +C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O T73 (1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate +Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C T74 n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine +CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C T75 tak-715 +c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4 T76 (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone +CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5 T77 6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=O)Nc1nc2c(cccc2s1)OC T7A n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide +CC(=O)N1CCC(CC1)NC(=O)c2ccccc2 T7D n-(1-acetylpiperidin-4-yl)benzamide +CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O T7G 1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide +Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C T7J n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide +c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O T7K neutral yb(iii)-caged complex +CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC T7M (2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O T7O 3-[3-(acetyloxymethyl)phenyl]benzoic acid +CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2 T7P n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide +CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 T7S 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one +C[C@H](c1cccc(c1)Cl)NC(=O)C T7V n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide +CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O T7W (r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC T7X phosphatidylinositol +CC(=O)Nc1cccc(c1)N2CCCC2=O T7Y n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide +Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N T7Z 4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC T80 methylpenta(oxyethyl) heptadecanoate +CC(=O)N1CCN(CC1)Cc2ccc(s2)Br T81 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O T82 (s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium +CC(=O)N1CCN(CC1)Cc2ccsc2 T84 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one +COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO T86 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N T87 [(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O T88 n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3 T8A 1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one +COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC T8B thermorubin +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl T8D 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2 T8G (2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC(=O)N1CCN(CC1)C(=O)c2cccs2 T8J 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S T8L thio-phosohothreonine +CC(=O)N1CCN(CC1)Cc2cccs2 T8M 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +COC(=O)C/C(=C\C(=O)O)/C(=O)O T8N (2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC T8P 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one +CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C T8S 1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N T8T 2'-deoxyguanosine-5'-o-(1-thiotriphosphate) +CC(=O)Nc1cccnc1Cl T8V n-(2-chloropyridin-3-yl)acetamide +c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-] T8W 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate +CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O T8X 2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside +CC(=O)N1CCN(CC1)C(=O)C T8Y 1,1'-(piperazine-1,4-diyl)di(ethan-1-one) +Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5 T8Z 2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole +Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C T90 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone +CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 T91 n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl T92 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate +CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O T93 [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid +CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O T94 1-(3,4,5-trihydroxyphenyl)nonan-1-one +CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C T95 n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide +CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O T97 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C T98 5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N T99 adenosine-5'-sp-alpha-thio-triphosphate +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C T9A (5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2 T9B (2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide +c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F T9D 5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one +C[C@H]([C@@H](C(=O)O)N)[SeH] T9E selenothreonine +CC[C@H](c1ccccc1O)N T9G 2-[(1r)-1-aminopropyl]phenol +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6 T9H 2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr T9J nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide +COC(=O)COc1ccc(cc1)C#N T9K methyl 2-(4-cyanophenoxy)ethanoate +C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O T9M n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N T9N 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C T9P n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide +COCC(=O)NCc1ccccc1 T9Q n-benzyl-2-methoxyacetamide +CCOC(=O)N1Cc2ccncc2C1 T9S ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate +c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3 T9T triphenylstannanyl +CC(=O)Nc1ccc(cc1)OC T9V n-(4-methoxyphenyl)acetamide +c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] T9W 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate +CCOC(=O)c1cn[nH]c1C(F)(F)F T9Y ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3 T9Z 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol +[Ta] TA0 tantalum +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C TA1 taxol +c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 (2r,3s)-3-amino-3-phenylpropane-1,2-diol +C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O TA3 (4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one +CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN TA4 (s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid +c1c(n[nH]n1)CO TA5 2h-1,2,3-triazol-4-ylmethanol +C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O TA6 6-o-phosphono-beta-d-tagatofuranose +COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F TA7 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione +C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O TA8 polyacrylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O TA9 9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide +c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F TAA [4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester +CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl TAB acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O TAC tetracycline +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N TAD beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide +CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O TAE n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F TAF 2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O TAG d-tagatose +c1ccc(cc1)COc2ccccc2C(=O)NN TAH 2-(benzyloxy)benzohydrazide +C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O TAJ taccalonolide aj +c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5 TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O TAL 9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine +C(CO)C(CCO)(CCO)N TAM tris(hydroxyethyl)aminomethane +CC(C)(C)C#N TAN 2,2-dimethylpropanenitrile +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C TAO troleandomycin +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N TAP 7-thionicotinamide-adenine-dinucleotide phosphate +c1cc2c(cc1N)c(nc(n2)N)N TAQ 2,4,6-triaminoquinazoline +[C@H]([C@@H](C(=O)O)O)(C(=O)O)O TAR d(-)-tartaric acid +O[As](O)O TAS trihydroxyarsenite(iii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N TAT adenosine-5'-rp-alpha-thio-triphosphate +C(CS(=O)(=O)O)N TAU 2-aminoethanesulfonic acid +CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4 TAV n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N TAW futibatinib +CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3 TAX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium +CC(C)(C)C(=O)N TAY 2,2-dimethylpropanamide +C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 TAZ tazobactam +[Tb+3] TB terbium(iii) ion +CC(C)(C)[N+]#[C-] TB0 tert-butyl isocyanide +c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O TB1 (3s)-3-(benzyloxy)-l-aspartic acid +CC(C)(C)c1ccc(cc1)CC=O TB2 (4-tert-butylphenyl)acetaldehyde +c1ccn(c1)c2ccc(cc2)N3CCOCC3 TB5 4-(4-pyrrol-1-ylphenyl)morpholine +C[C@H](CP(=O)(O)O)O TB6 [(2r)-2-hydroxypropyl]phosphonic acid +CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2 TB7 tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate +c1ccc(c(c1)/C=C/C(=O)NO)Cl TB8 (~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TB9 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +CCCC[N+](CCCC)(CCCC)CCCC TBA tetrabutylammonium ion +CC(C)(C)NC(=O)O TBB tert-butylcarbamic acid +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O TBC (9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene +[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O TBD 2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp) +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O TBE tazobactam intermediate +CC(C)(C)OC=O TBF tert-butyl formate +CC(C)(C)[C@@H](C(=O)O)N TBG 3-methyl-l-valine +CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O TBH 5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O TBI tazobactam trans-enamine intermediate +C1CCC(C1)NC(=O)NC[C@H]2CCCO2 TBJ n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5 TBK ~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC TBL n-[(4-methoxyphenyl)sulfonyl]-d-alanine +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TBM 4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O TBN '2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S TBO 5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1c(cc(c(c1Br)O)Br)Br TBP 2,4,6-tribromophenol +CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBQ (3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6 TBR hexatantalum dodecabromide +c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 TBS 4,5,6,7-tetrabromobenzotriazole +c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O TBT 8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol +CC(C)(C)O TBU tertiary-butyl alcohol +Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O TBV 3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBX (3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +CCCC[Sn](CCCC)CCCC TBY tributylstannanyl +COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+] TBZ 2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole +C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O TC 4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one +c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O TC0 4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol +c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O TC1 3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O TC2 n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide +CCO[P@@](=O)(NC)O TC3 ethyl hydrogen methylamidophosphate +CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC TC4 butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group +CCCN[P@](=O)(O)OCC TC5 ethyl hydrogen propylamidophosphate +CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O TC6 (2e)-hexenoyl-coa +c1c(c(cc(c1Cl)Cl)Cl)O TC7 2,4,5-trichlorophenol +CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F TC8 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one +C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TC9 d-tubocurarine +c1ccc(cc1)\C=C\C(=O)O TCA phenylethylenecarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O TCB thiocellobiose +c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O TCC 2-(2,4-dichloro-phenylamino)-phenol +c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl TCD 3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine +C(CP(CCC(=O)O)CCC(=O)O)C(=O)O TCE 3,3',3''-phosphanetriyltripropanoic acid +c1cc(ccc1CCC(=O)N)Br TCF 3-(4-bromophenyl)propanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O TCG 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C TCH taurocholic acid +CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O TCI (6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O TCJ [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl TCK n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl TCL triclosan +CC1([C@@H]2CC[C@]1(C(=S)C2)C)C TCM thiocamphor +C(#N)[Ni-2](C#N)(C#N)C#N TCN tetracyanonickelate ion +CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 TCO tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O TCP 5'-methylthymidine +c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N TCQ (1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium +c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O TCR cyclomethyltryptophan +c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O TCT 6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C TCU 5-hexyl-2-(2-methylphenoxy)phenol +C(=C(Cl)Cl)Cl TCV 1,1,2-trichloroethene +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] TCW tolcapone +CCNP(=O)(O)O TCX ethylphosphoramidic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N TCY (2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate +c1c(cc(cc1Cl)Cl)Cl TCZ 1,3,5-trichloro-benzene +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O TD1 o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O TD2 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +C(CCO)CN(C(=O)COP(=O)(O)O)O TD3 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O TD4 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD5 (4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD6 (4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid +Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C TD7 (4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD8 (5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD9 (5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +CCCCCCCCCCCCC(=O)O TDA n-tridecanoic acid +B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O TDB 6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol +Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O TDC 5a,6-anhydrotetracycline +CC(C)(C)[C@H](C(=O)O)N TDD (2r)-2-amino-3,3-dimethyl-butanoic acid +CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O TDE (e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide +c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F TDF 4-(trifluoromethyl)-d-phenylalanine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O TDG thiodigalactoside +c1cc(ccc1c2cnnn2c3ccc(cc3)O)O TDH 4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol +CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N TDI (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12 TDJ [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O TDK 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O TDL 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C TDM 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate +CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O TDN 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O TDO dtdp-4-keto-l-rhamnose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-] TDP thiamin diphosphate +CC1=CNC(=O)NC1=O TDR thymine +CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C TDS 8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one +c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S TDT 1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct +c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2 TDU 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea +c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F TDV 1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O TDW 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O TDX thymidine-5'-diphospho-beta-d-xylose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC TDY 5-(methylamino)thymidine 5'-(dihydrogen phosphate) +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C TDZ (5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione +[TeH2] TE tellurium +CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O TE1 (2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid +CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C TE2 3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide +CCCCNc1ccc(cc1)C(=O)OCCN(C)C TE4 tetracaine +COc1cc(nc(n1)N)c2ccccc2 TE5 4-methoxy-6-phenyl-pyrimidin-2-amine +O[Te](O)(O)(O)(O)O TE6 orthotelluric acid +CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC TE7 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one +C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2 TE8 (2~{r})-2-(4-phenylphenoxy)propanoic acid +CC[NH+](CC)CC TEA triethylammonium ion +C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O TEB (4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O TEC 2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O TED 5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) +C(=CS)N TEE 2-amino-ethenethiol +c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2 TEF 4-(2h-tetrazol-2-yl)-l-phenylalanine +C(COCCOCC(=O)O)O TEG [2-(2-hydroxyethoxy)ethoxy]acetic acid +c1ccc(cc1)OCC(=O)N2CCNC(=O)C2 TEH 4-(2-phenoxyethanoyl)piperazin-2-one +Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O TEI 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid +C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C TEJ (1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one +CCn1c2ccccc2nc1NC(=O)C TEK ~{n}-(1-ethylbenzimidazol-2-yl)ethanamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C TEL telithromycin +C(C=O)C(CN\C=C\C=O)O TEM n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine +CCOP(=O)(OCC)OCC TEN triethyl phosphate +C(=C(\O)/[O-])\[C@H](C(=O)[O-])O TEO malate like intermediate +CN1c2c([nH]cn2)C(=O)N(C1=O)C TEP theophylline +Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N TEQ 5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine +C(CCNCCCNCCCN)CN TER n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C TES testosterone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O TET uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O TEU 1-o-alpha-d-glucopyranosyl-d-fructose +CC1=NC(=O)N=C(C1)C(=O)O TEV 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid +[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O] TEW 6-tungstotellurate(vi) +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO TEX (2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C TEY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol +CC(=O)Nc1ccc2c(c1)nsn2 TEZ n-(2,1,3-benzothiadiazol-5-yl)acetamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O TF0 2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose +C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N TF1 4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile +CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O TF2 (n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN TF3 n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide +C(C(=O)O)(Cl)Cl TF4 dichloro-acetic acid +c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO TF5 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O TF6 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O TF7 (3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine +C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O TF8 (2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid +C(=O)(C(F)(F)F)O TFA trifluoroacetic acid +C1C[C@H](OC1)C(=O)O TFB tetrahydrofuran-2-carboxylic acid +CCCCCCCCSCC(=O)C(F)(F)F TFC 1,1,1-trifluoro-3-(octylthio)acetone +Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl TFD n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F TFE 2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O TFF 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O TFG 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol +N#N TFH nitrogen of trifluoro-ethylhydrazine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N TFI 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide +CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O TFJ (1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2 TFK 3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide +C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O TFL 2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium +CCSC(=Nc1ccc(cc1)C(F)(F)F)N TFM s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N TFN n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O TFO [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F TFP 10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine +c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F TFQ 4-(2,2,2-trifluoroethyl)-l-phenylalanine +C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N TFR (2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid +C(F)(F)(F)S(=O)(=O)O TFS trifluoromethanesulfonic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O TFT (l)-alpha-threofuranosyl-thymine-3'-monophosphate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O TFU methyl 1-seleno-beta-l-fucopyranoside +Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl TFV n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C TFY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol +c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F TFZ n-phenyl-2-(trifluoromethyl)benzamide +c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N TG 2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one +Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O TG0 (2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O TG1 octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester +c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O TG2 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2 TG3 ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N TG4 2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide +CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N TG5 2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O TG6 6-o-phosphono-d-tagatose +c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TG7 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O TG8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O TGA 2-sulfanylethyl beta-d-galactopyranoside +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S TGB [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O TGC 3-thiaglutaryl-coa +CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O TGD 1-deoxy-d-tagatose +CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC TGE 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N TGF 2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid +C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N TGG gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O TGH 6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan +CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O TGJ 1-deoxy-l-tagatose +C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O TGK 1-deoxy-beta-l-tagatopyranose +CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC TGL tristearoylglycerol +c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O TGM 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC TGN 3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N TGP 5'-thio-2'-deoxy-guanosine phosphonic acid +CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O TGQ (2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O TGR 1-deoxy-alpha-d-xylo-hex-3-ulofuranose +C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O TGS 1-deoxy-d-xylo-hex-3-ulose +CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N TGT tagetitoxin +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O TGU trigalacturonic acid +c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TGV 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid +CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl TGW (2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one +Cc1ccc2c(c1)SCC(=O)N2 TGX 7-methyl-2h-1,4-benzothiazin-3(4h)-one +C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O TGY 1-deoxy-alpha-d-tagatopyranose +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O TGZ (2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +[Th+4] TH thorium ion +c1cc(c(cc1O)O)S TH0 4-mercaptobenzene-1,3-diol +Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O TH1 (1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C TH2 testosterone hemisuccinate +CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O TH3 trans delta2 palmitenoyl-coenzymea +c1cc(ncc1CN\2CCS/C2=N\C#N)Cl TH4 {(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide +C[C@H]([C@@H](C(=O)O)N)OC(=O)C TH5 o-acetyl-l-threonine +C([C@H]([C@@H](C(=O)O)N)O)O TH6 4-hydroxy-l-threonine +c1cc(c(cc1O)O)SO TH7 2,4-dihydroxybenzenesulfenic acid +CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O TH8 thiamphenicol +CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O TH9 (2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)N THA tacrine +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O THB tetrahydrobiopterin +C[C@H]([C@@H](C(=O)O)NC(=O)C)O THC n-methylcarbonylthreonine +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C THD 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate +C([C@H]([C@@H](C(=O)[O-])O)O)O THE threonate ion +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N THF 5-hydroxymethylene-6-hydrofolic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N THG (6s)-5,6,7,8-tetrahydrofolate +CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O THH n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3 THI thiazolo-3-phenylisoindol-1-one +[O-]S(=O)(=O)[S-] THJ thiosulfate +c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F THK 4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N THL n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O THM thymidine +C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 THN 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +C[C@H]([C@@H](CO)N)O THO reduced threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O THP thymidine-3',5'-diphosphate +Cc1c(scn1)CCOP(=O)(O)O THQ phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester +C[C@H]([C@@H](C(=O)O)N)O THR threonine +C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 l-threonine c-terminal deprotonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H l-threonine c-terminal protonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 l-threonine-c-terminal protonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)O)N)O THR_LFOH l-threonine free neutral +C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 l-threonine-free neutral/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW l-threonine free zwitterion +C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 l-threonine-free zwitterion/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL l-threonine - linking embedded fragment +C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 l-threonine-linking embedded fragment/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 l-threonine n-terminal protonated fragment +C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 l-threonine-n-terminal protonated fragment/with side chain deprotonated og1 +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O THS thymidine-5'-(dithio)phosphate +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C THT trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester +C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O THU tetrahydrodeoxyuridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O THV c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O THW c2-1-hydroxyphenyl-thiamin diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O THX phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester +CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O THY c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N THZ 1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine +CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S TI1 [2(r,s)-2-sulfanylheptanoyl]-phe-ala +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S TI2 (2-sulfanyl-3-phenylpropanoyl)-phe-tyr +c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S TI3 [(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline) +c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4 TI4 (2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane +Cc1ccccc1c2cccc(c2)C(=O)O TI7 3-(2-methylphenyl)benzoic acid +C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O TI8 3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate +c1cc(cnc1)C#C[C@@H]2CCCN2 TI9 3-[(2s)-pyrrolidin-2-ylethynyl]pyridine +C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O TIA 2-(1,5-dideoxyribose)-4-amido-thiazole +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C TIB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl TIC ticlopidine +c1cc(ccc1c2nnc(s2)N)C(=O)O TID 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N TIF n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN TIG n-(2-aminoethyl)-l-tryptophan +c1cc(sc1)C[C@@H](C(=O)O)N TIH beta(2-thienyl)alanine +CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C TII (5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane +c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O TIL [2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii) +CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O TIM (2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol +CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O TIN 2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid +c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O TIO (2-mercaptomethyl-3-phenyl-propionyl)-glycine +CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F TIQ ticagrelor +C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O TIR tirandamycin e +CC(O)(O)OC[C@@H](C(=O)O)N TIS o-(1,1-dihydroxyethyl)-l-serine +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O TIT n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide +C(=O)(N)NC(=O)NC(=O)N TIU tricarbonodiimidic diamide +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5 TIV (3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione +c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O TIY 2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N TIZ (1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol +CC(C)C1=NOC(=O)N1 TJ1 3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one +CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O TJ2 3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C TJ3 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +CC1=C(NC(=O)N=C1C)C(=O)O TJ4 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O TJ5 (2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C TJ7 (2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid +c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O TJB 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde +COC(=O)C1=NC(=O)Nc2c1cccc2 TJD methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate +C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O TJE (2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N TJF 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O TJG 7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide +c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl TJH 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione +C1=C(NC(=O)N=C1)C(=O)O TJJ 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O TJK 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde +Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N TJM 5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide +COC(=O)C1=CC=NC(=O)N1 TJP methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate +C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O TJS 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid +c1cc2c(cc1C(=S)N)OCO2 TJV 1,3-benzodioxole-5-carbothioamide +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TJW 5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C(=NC(=O)N2)C(=O)O TJY 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6 TJZ ~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide +CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5 TK1 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione +Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN TK2 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine +C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TK3 (1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O TK4 2-acetylamino-napthalene-1,5-disulfonic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TK5 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N TK7 diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O TK8 d-xylonic acid +CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O TK9 (2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKA (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N TKB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide +C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKD (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N TKE 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea +CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C TKG 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone +c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O TKH [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol +c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F TKJ 4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione +c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br TKK 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N TKL (2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid +COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4 TKN methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl TKP 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N TKQ 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl TKS 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4 TKT (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl TKV n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O TKW 5-hydroxycytidine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC TKY 14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O TKZ (((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid +[Tl+] TL thallium (i) ion +c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N TL1 2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N TL2 2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N TL3 2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N TL4 2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C TL5 (5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one +CC1=C([C@@](SC1=O)(C)\C=C\C=C)O TL6 (5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC TL7 [5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COc1cc(ccc1C=O)n2ccnc2c3ccccc3 TL8 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +[C@@H]([C@H](C(=O)O)O)(C(=O)O)O TLA l(+)-tartaric acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O TLB 2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O TLC 2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate +Cc1ccc(c(c1)S)S TLD 4-methylbenzene-1,2-dithiol +CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLE (5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +Cc1c(cccc1Cl)Nc2ccccc2C(=O)O TLF 2-[(3-chloro-2-methylphenyl)amino]benzoic acid +C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C TLG (5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C TLH (5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one +CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLJ (5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one +COc1cc(ccc1n2ccnc2c3ccccc3)C=O TLK 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TLL n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid +CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O TLM thiolactomycin +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O TLN [(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O TLO 5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O TLP 3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid +c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O TLQ 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde +CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C TLS 4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid +Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O TLT tolmetin +c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N TLV (2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid +C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O TLW (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid +CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N TLX n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine +CC(=S)NCCCC[C@@H](C(=O)O)N TLY (2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid +C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O TLZ d-altritol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N TM1 2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O TM2 5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate) +Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO TM3 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol +CC1=C(C(=S)C=CO1)O TM4 3-hydroxy-2-methyl-4h-pyran-4-thione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O TM5 thio-maltopentaose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O TM6 thio-maltohexaose +CC1=CC(=S)C(=CO1)O TM7 5-hydroxy-2-methyl-4h-pyran-4-thione +c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 TM8 nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide +[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N TM9 (2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol +C[N+](C)(C)C TMA tetramethylammonium ion +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TMB n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O TMC 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O TMD (6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine +CCC TME propane +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N TMF 5,10-methylene-6-hydrofolic acid +c1ccc2c(c1)[nH]c(n2)c3cscn3 TMG 2-(1,3-thiazol-4-yl)-1h-benzimidazole +CC1=CC[C@@H]2C[C@H]1C2(C)C TMH (+)-alpha-pinene +c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4 TMI 1-[phenyl-(4-phenylphenyl)-methyl]imidazole +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl TMJ n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +[CH3].[CH3].[CH3] TML methyl part of n-trimethyllysine +c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O TMM 1,3,5-benzenetricarboxylic acid +C(C(CO)(CO)N)O TMN tris(hydroxymethyl)aminomethane +C[N+](C)(C)[O-] TMO trimethylamine oxide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O TMP thymidine-5'-phosphate +Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC TMQ trimetrexate +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC TMR 2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose +COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO TMS n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide +Cc1csc([n+]1C)C TMT 2,3,4-trimethyl-1,3-thiazole +COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] TMU n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O TMV thiamine-phosphovanadate +C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O TMX 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose +CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC TMY ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate +Cc1c(sc[n+]1C)C TMZ 3,4,5-trimethyl-1,3-thiazole +c1cc2c(c(c1)O)CCCC2 TN1 5,6,7,8-tetrahydronaphthalen-1-ol +c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl TN2 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol +CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl TN3 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide +CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C TN4 (1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate +c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl TN5 2-(4-amino-2-chlorophenoxy)-5-chlorophenol +CCN(CC)P(=O)(O)O TN6 diethylphosphoramidic acid +CCN[P@](=O)(O)OCC TN7 ethyl hydrogen ethylamidophosphate +c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N TN8 ~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N TNA n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid +c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] TNB s-(2,3,6-trinitrophenyl)cysteine +CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O TNC 4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O TND n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN1[C@H]2CC[C@@H]1CC(=O)C2 TNE 8-methyl-8-azabicyclo[3,2,1]octan-3-one +c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] TNF picric acid +C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] TNG propane-1,2,3-triyl trinitrate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4 TNH n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide +Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN TNJ 7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one +CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3 TNK 6-benzyl-1-benzyloxymethyl-5-isopropyl uracil +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] TNL 2,4,6-trinitrotoluene +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O TNM [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid +C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O TNN (1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione +Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C TNP 3,5,6,8-tetramethyl-n-methyl phenanthrolinium +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O TNQ 6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O TNR o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine +CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-] TNS n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid +c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N TNT 1,3-bis(amidinophenoxy)propane +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O TNV [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate +Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl TNW 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one +CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO TNX 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol +C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C TNY (2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name) +COc1nc2ccc(cc2c(n1)c3ccccc3)Cl TNZ 6-chloranyl-2-methoxy-4-phenyl-quinazoline +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N TO1 4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O TO2 (1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F TO3 n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide +CC(C)O[P@](=O)(CCCCCCCCCCC=C)F TO4 propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3 TO5 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-] TO7 (4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl TO8 7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O TOA 3-ammonio-3-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+] TOB 1,3-diamino-5,6-dihydroxycyclohexane +C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+] TOC 2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O TOD (2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid +COCCOCCOCCO TOE 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl +CN1C2=NC(=O)N(C(=O)C2=NC=N1)C TOF 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TOG 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid +c1ccc(c(c1)C=CC(=O)C(=O)O)O TOH (3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid +[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C TOI (1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-] TOJ (4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O TOK (3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol +CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC TOL tolrestat +COc1ccccc1C=CC(=O)C(=O)O TOM 4-(2-methoxyphenyl)-2-oxobut-3-enoic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO TON 2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol +COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N TOP trimethoprim +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O TOQ 6,7-dihydroxy-l-tryptophan +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C TOR [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate +Cc1ccc(cc1)[S@@](=O)O TOS p-sulfinotoluene +CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8 TOT 1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium +C(=S)(N)N TOU thiourea +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O TOV n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO TOW 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one +c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N TOX 1-hydroperoxy-l-tryptophan +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N TOY tobramycin +c1c(nc(o1)c2csc(n2)CN)C(=O)O TOZ 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid +CN(C)CCC=C1c2ccccc2CCc3c1cccc3 TP0 amitriptyline +CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O TP1 2-(methylamino)-ethylglycine-carbonylmethylene-thymine +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS TP2 n-[tosyl-d-prolinyl]amino-ethanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TP3 4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O TP4 n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid +[H]/N=C(\c1ccsc1)/N TP5 thiophene-3-carboximidamide +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O TP6 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O TP7 coenzyme b +[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C TP8 5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C TP9 (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate +c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA trans-2-phenylcyclopropylamine +Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C TPB 4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O TPC 5'-thio-2'-deoxy-cytosine phosphonic acid +c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N TPD n-(2-thienylmethyl)-2,5-thiophenedisulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C TPE 3'-o-acetylthymidine-(5' diphosphate phenyl ester) +c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O TPF 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol +CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O TPG 2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine +c1ccc(cc1)C[C@@H](C(O)O)N TPH 2-amino-3-phenyl-propane-1,1-diol group +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N TPI 4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid +CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O TPJ (5r)-5-tert-butyl-l-proline +C1C[C@H](NC1)[C@H](CO)O TPK (1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N TPL tryptophanol +c1cc(ccc1CNC2=[NH+]CCCC2)N TPM 2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium +CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O TPN 2-aminoethylglycine-carbonylmethylene-thymine +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O TPO phosphothreonine +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPP thiamine diphosphate +C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N TPQ 5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TPR tosyl-d-proline +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O TPS thiamin phosphate +C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl TPT 2,2':6',2''-terpyridine platinum(ii) chloride +Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPU 2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate +CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 TPV n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide +Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C TPW 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O TPX (2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O TPY (2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O TPZ o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine +c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO TQ1 5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one +Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C TQ2 (2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid +c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ3 5-phenylsulfanyl-2,4-quinazolinediamine +Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ4 5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine +CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ5 5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine +c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N TQ6 5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine +CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br TQ7 5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl TQ8 n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide +C(CC(=O)O)C(=O)CCl TQ9 5-chloro-4-oxopentanoic acid +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O TQA n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3 TQB 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one +CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC TQD (2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine +CCOC1=NC(=NC(=O)N1)N(C)C TQE 4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one +c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TQG n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid +Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3 TQH ~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl TQI n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan +c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O TQJ n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide +Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 TQK 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O TQL 4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol +c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O TQM {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid +CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O TQN [(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O TQP (2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N TQQ (s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid +Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C TQS (4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N TQT 6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine +c1cc2c(cc1N)c(ccn2)n3cncn3 TQU 4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine +Cc1ccccc1OP(=O)(O)OCc2ccccc2O TQV o-cresyl-saligenin phosphate +COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O TQW 4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C TQX (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O TQY 6-o-octanoyl-alpha-d-glucopyranose +C([C@@H](C(=O)O)N)SSSSS TQZ 2-amino-3-pentasulfanylpropan-1-ol +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O TR0 (4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2 TR1 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester +c1cnc2ccsc2c1O TR2 thieno[3,2-b]pyridin-7-ol +CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4 TR3 n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide +CSc1c(c(n(n1)c2ccccc2)N)C#N TR4 5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N TR5 5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O TR6 trovafloxacin +COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N TR7 methyl l-tryptophanate +[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O TR8 (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) +CC1=C(C(=O)C[C@@H](C1=O)O)O TR9 (5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione +C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-] TRA aconitate ion +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TRB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +C(C(CC(=O)O)C(=O)O)C(=O)O TRC tricarballylic acid +CCCCCCCCCCCCC TRD tridecane +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O TRE trehalose +c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N TRF n1-formyl-tryptophan +CN(C)CCCC[C@@H](C(=O)O)N TRG l-(n,n dimethyl)lysine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O TRH 2'-deoxy-thymidine-beta-l-rhamnose +c1[nH]cnn1 TRI 1,2,4-triazole +c1cc(cc(c1)CN)CN TRJ meta-di(aminomethyl)benzene +C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C TRK tirandamycin d +CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C TRL {1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester +c1ccc2c(c1)[nH]c(n2)C(=O)O TRM 1h-benoximidazole-2-carboxylic acid +c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N TRN nz2-tryptophan +c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N TRO 2-hydroxy-tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2 l-tryptophan c-terminal deprotonated fragment +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H l-tryptophan c-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H_DHE1 l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2_DHE1 l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP_LFOH l-tryptophan free neutral +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N TRP_LFOH_DHE1 l-tryptophan-free neutral/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW l-tryptophan free zwitterion +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW_DHE1 l-tryptophan-free zwitterion/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-] TRP_LL l-tryptophan - linking embedded fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-] TRP_LL_DHE1 l-tryptophan-linking embedded fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3 l-tryptophan n-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3_DHE1 l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1 +c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N TRQ 2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid +COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N TRR 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium +C(C(CO)(CO)[NH3+])O TRS 2-amino-2-hydroxymethyl-propane-1,3-diol +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC TRT fragment of triton x-100 +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl TRU 6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O TRV 6-o-octanoyl-beta-d-fructofuranose +c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N TRW trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol +c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N TRX 6-hydroxytryptophan +c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N TRY (2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid +Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C TRZ trazeolide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O TS thymidine-5'-thiophosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O TS0 4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O TS1 4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N TS2 2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N TS3 bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine +C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN TS4 glutathionylspermidine disulfide +C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN TS5 glutathionylspermidine +OP(=O)(O)S TS6 monothiophosphate +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C TS8 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose +C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O TS9 (2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSA 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O TSB 5'-o-(n-(l-threonyl)-sulfamoyl)adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O TSC (1s)-1-amino-2-(1h-indol-3-yl)ethanol +[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C TSD 3-trimethylsilyl-propionate-2,2,3,3,-d4 +C(C(=O)O)P(=S)(O)O TSE thiophosphonoacetic acid +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O TSF 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate +[H]/N=C\Cc1c[nH]c2c1cccc2 TSH 2-(1h-indol-3-yl)ethanimine +C[C@H]([C@](C)(CN)O)O TSI (2s,3r)-1-amino-2-methylbutane-2,3-diol +Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O TSJ 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid +Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC TSK 3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione +CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O TSL trans-enamine intermediate of sulbactam +CC(C)(C)S(=O)(=O)O TSM 2-methylpropane-2-sulfonic acid +C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C TSN trichostatin a +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSO (1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S TSP 3'-thio-thymidine-5'-phosphate +C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N TSQ 4-(trimethylsilyl)-l-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N TSR 2-(1h-indol-3-yl)acetamide +c1ccc2c(c1)c(c[nH]2)CCN TSS 2-(1h-indol-3-yl)ethanamine +Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O TST 4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid +Cc1ccc(cc1)S(=O)(=O)O TSU para-toluene sulfonate +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6 TSV (2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C TSX n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide +C([C@@H](C(=O)O)N)SSS TSY (2s)-2-amino-3-trisulfanylpropanoic acid +C(=S)(N)NN TSZ hydrazinecarbothioamide +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C TT [(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4 TT1 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole +C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TT2 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1ccc(cc1)n2c(nc(n2)N)N TT4 1-phenyl-1h-1,2,4-triazole-3,5-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O TT7 4-o-phosphono-beta-d-fructofuranose +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O TT8 (2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 TTA tetraphenyl-arsonium +C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C TTB 4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O TTC (s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C TTD cis-syn cyclobutane thymine dimer +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O TTE phosphomethyl phosphonic acid deoxythymidylate ester +c1cc(sc1)C(=O)CC(=O)C(F)(F)F TTF 4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione +CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O TTG 2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C TTH 2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene +C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O TTI 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C TTJ (2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide +c1ccc2c(c1)CC[C@@H]([C@H]2O)N TTL trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C TTM n3-ethyl-thymidine-5'-monophosphate +C(C(=O)[O-])(C(=O)[O-])O TTN tartronate +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O TTO (3,4-dihydroxy-phenyl)-triphenyl-arsonium +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O TTP thymidine-5'-triphosphate +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N TTQ 6-amino-7-hydroxy-l-tryptophan +CC(=O)n1c2ccccc2c3c1C(=O)CCC3 TTR 9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one +c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O TTS 3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N TTT 5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide +C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O TTV beta-d-psicofuranose +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O TTW 5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine +C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C TTX tentoxin +c1c(c2c(o1)CCCC2=O)C(=O)O TTY 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O TTZ n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha- d-glucopyranosylamine +c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O TU0 (e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F TU1 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F TU2 [3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC TU3 [6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O TU4 3-o-octanoyl-alpha-d-glucopyranose +c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl TU7 (2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone +c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F TU8 (3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O TUA prednisolone +C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TUB (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium +c1cc2cnccc2c(c1)OCC(=O)O TUC (isoquinolin-5-yloxy)acetic acid +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C TUD taurochenodeoxycholic acid +C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N TUE 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUG 3,4-di-o-sulfo-alpha-d-altropyranose +CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C TUH 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O TUI 2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUJ 1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose +CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N TUK 2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal +C1=CNC(=S)NC1=O TUL 2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O TUM tunicamycin +CCN(CC)[P@](=O)(O)OCC TUN ethyl hydrogen diethylamidophosphate +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N TUO 2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O TUP 3-deoxy-3-fluoro-alpha-d-glucopyranose +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl TUQ 4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O TUR 3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose +CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO TUS (4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl TUT 5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C TUV vamorolone +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TUW 6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO TUX 1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O TUY (3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O TUZ 1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O TV1 n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N TV2 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F TV4 n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O TV5 (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O TV7 (1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC TV8 (2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol +CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O TVA n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline +C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O TVB 4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde +c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O TVC 3-naphthalen-2-ylbenzoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O TVD n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine +C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O TVE (2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O TVG propyl beta-d-galactofuranoside +c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO TVH (3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TVK (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O TVM 3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC TVN n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide +C[C@H]1CCc2ccccc2N1C(=O)C TVP (2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline +CS(=O)CCCN=C=S TVQ 1-isothiocyanato-3-methylsulfinyl-propane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O TVS prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside +Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F TVT 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile +CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC TVU n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide +C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O TVV 3-o-prop-2-yn-1-yl-beta-d-galactopyranose +c1c2c(ncnc2n[nH]1)N TVW 1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O TVY (1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N TVZ 3-(4-aminocarbonylphenyl)benzoic acid +Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N TW2 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl TW5 (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide +C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O TW7 2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride +c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O TW8 4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TWA 2,3,4-tri-o-sulfo-beta-d-altropyranose +Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O TWB [(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O TWD 2,3-di-o-sulfo-alpha-l-glucopyranose +c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N TWE 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S TWG 6-thio-alpha-d-mannopyranose +C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N TWH 4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O TWJ 1-thio-beta-d-talopyranose +Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F TWK 4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1 TWL ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate +CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWM 4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C TWN (3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate +COc1ccc(cc1OC)C(=O)O TWO 3,4-dimethoxybenzoic acid +c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO TWP n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide +CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O TWQ 3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde +c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO TWS n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide +CCCCCCCCCCCCCCCCCCCCCC TWT docosane +CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWV 4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS TWW (2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S TWY 4-thio-beta-d-xylopyranose +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O TWZ exostwz molecular tweezer +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-] TX1 2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O TX2 5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl TX3 2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate +C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O TX4 l-threonohydroxamate 4-phosphate +C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C TX5 (1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol +Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C TX6 (6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-] TX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate +C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O TXA threonylcarbamoyladenylate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S TXB 4-deoxy-4-thio-alpha-d-xylopyranose +CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N TXC 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N TXD 1,4,5,6-tetrahydronicotinamide adenine dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N TXE [[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O TXF (z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5 TXG (3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O TXI (2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O TXL taxotere +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O TXM (2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO TXN (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N TXP 1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O TXS 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO TXT 4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +CCCc1cc2c(c(n1)C)C=CC(=O)N2 TXW 5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one +C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O TXY 3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O TXZ o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N TY0 (3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N TY1 o-tert-butyl-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TY2 3-amino-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TY3 3-hydroxy-l-tyrosine +Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br TY4 4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate +c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N TY5 o-benzyl-l-tyrosine +c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N TY8 2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N TY9 3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O TYA phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester +c1cc(ccc1C[C@@H](C=O)N)O TYB tyrosinal +c1cc(ccc1C[C@@H](C(=O)N)N)O TYC l-tyrosinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O TYD thymidine-5'-diphosphate +c1cc(ccc1C[C@@H](CO)N)O TYE 4-[(2s)-2-amino-3-hydroxypropyl]phenol +c1cc(ccc1C[C@@H](C(=O)O)O)O TYF (2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +Cc1cccc2c1N=C(NC2=O)CSc3ccncc3 TYG 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N TYI 3,5-diiodotyrosine +CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O TYJ 2,5-dihydroxy-n-methyl-l-tyrosine +CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC TYK tylosin +CC(=O)Nc1ccc(cc1)O TYL n-(4-hydroxyphenyl)acetamide (tylenol) +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N TYM tryptophanyl-5'amp +c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N TYN aminobenzofurazan-o-tyrosine +C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO TYO (4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid +c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O TYP cyclo-(l-tyrosine-l-proline) inhibitor +c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N TYQ 3-amino-6-hydroxy-tyrosine +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR tyrosine +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 l-tyrosine c-terminal deprotonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H l-tyrosine c-terminal protonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH l-tyrosine free neutral +c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH l-tyrosine-free neutral/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW l-tyrosine free zwitterion +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH l-tyrosine-free zwitterion/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL l-tyrosine - linking embedded fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH l-tyrosine-linking embedded fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 l-tyrosine n-terminal protonated fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O TYS o-sulfo-l-tyrosine +c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N TYT tyrosine derivative +C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O TYU tetrahydrouridine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O TYV alpha-d-tyvelopyranose +c1cc(ccc1C[C@@H](C(O)O)N)O TYW (2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol +c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N TYX s-(2-anilino-2-oxoethyl)-l-cysteine +C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N TYY 3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine +CC(=O)Nc1ccc(cc1)C(=O)O TYZ para acetamido benzoic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N TZ0 1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one +c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl TZ1 n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-] TZ2 ~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N TZ4 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N TZ5 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium +Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O TZ7 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N TZ8 (2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N TZA trans-amiclenomycin +C\C=C(\C1=N[C@H](CS1)C(=O)O)/N TZB (4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ncn(n1)C(=[NH2+])N TZC 1,2,4-triazole-carboxamidine +Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C TZD 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate +Cc1c(scn1)CCO TZE 2-(4-methyl-thiazol-5-yl)-ethanol +c1cc(ccc1n2cncn2)O TZF 4-(1h-1,2,4-triazol-1-yl)phenol +c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O TZG (s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid +Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O TZH (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate +Cc1ccc(cc1)S(=O)(=O)N2CCOCC2 TZK 4-(4-methylphenyl)sulfonylmorpholine +CC[C@@H](C)c1nccs1 TZL 2-(sec-butyl)thiazole +c1cc(cc(c1)N)Cn2cncn2 TZM 3-(1h-1,2,4-triazol-1-ylmethyl)aniline +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4 TZN [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone +c1c(ncs1)C(=O)O TZO 1,3-thiazole-4-carboxylic acid +Cc1c(scn1)CCOP(=O)(O)O TZP 4-methyl-5-hydroxyethylthiazole phosphate +c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F TZQ 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid +COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC TZS n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide +CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C TZT soblidotin +COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N TZV n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide +c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O TZW 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde +CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F TZY 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine +COP(=O)(OC)OC TZZ trimethyl phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U uridine-5'-monophosphate +CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O U01 3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one +CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O U02 [2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester +CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O U03 4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one +CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O U04 ({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester +CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-] U05 6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O U06 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid +c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O U07 (2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N U08 (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N U0A 11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C U0D 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N U0E n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide +COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O U0G 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile +Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C U0H ~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide +CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4 U0J {(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium +Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0K 4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1nnc(s1)CN2CCC=C(C2)F U0M 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine +Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N U0N 4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(no1)CN(C)C(=O)NC2CC2 U0P n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea +C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N U0Q 4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1cnc(cn1)N2CC[C@@]3(C2)CCOC3 U0S (5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane +Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0T 4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(c(c1)C(=O)NCCc2ccncc2)F U0V 2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide +c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2 U0W 5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid +Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C U0Y 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one +[H]/N=C/1\N2CCCc3c2c(ccc3)S1 U0Z 5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline +[U] U1 uranium atom +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C U10 ubiquinone-10 +C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O U11 methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate +c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F U12 5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F U13 4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O U14 3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid +Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N U15 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate +CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O U16 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate +CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N U17 methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O U18 (s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F U19 5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C U1A 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O U1B 4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde +CC(=O)NNC(=O)c1cc2c(s1)CCCC2 U1D n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide +CN(C)c1cccc2c1c(ccc2)N(C)C U1E ~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine +CC(=O)N1CCN(CC1)C(=O)c2ccco2 U1G 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one +CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+] U1K (s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid +Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C U1M 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F U1N 4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide +[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U1P 6-[(e)-iminomethyl]uridine 5'-phosphate +c1cc(ncc1F)N U1Q 5-fluoranylpyridin-2-amine +CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U1S 1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4 U1T 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +Cc1cc(ccc1CS(=O)(=O)N)F U1V 1-(4-fluoro-2-methylphenyl)methanesulfonamide +[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC U1W 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O U1Y methyl 6-thio-beta-d-glucopyranoside +Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C U1Z 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U20 uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine +CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U21 uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine +CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U22 uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O U23 uridine-5'-monophosphate-2',3'-cyclic phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U25 uridine-5'-monophosphate +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 U27 2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O U28 methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S U2A methyl 2-thio-beta-d-glucopyranoside +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U2D 6-o-decanoyl-alpha-d-glucopyranose +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C U2E methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O U2F uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N U2G uridylyl-2'-5'-phospho-guanosine +CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U2J (4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C U2K 1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O U2L 5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate +C(CC[C@@H](C(=O)O)N)CCS U2M (2s)-2-amino-7-sulfanylheptanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N U2N 2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O U2P phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-] U2Q 2-[(3-nitro-2-pyridyl)thio]acetic acid +C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U2S 1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN U2T 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide +c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F U2V 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide +C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl U2W 4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2 U2X o-(cyclohexylmethyl)-l-tyrosine +B(c1ccc(cc1)C(=O)N(C)CC)(O)O U2Y {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid +Cc1cc(nn1c2ccccc2CN)CO U2Z [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN U31 2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate +CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N U32 4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O U33 5-bromo-2'-deoxy uridine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O U34 uridine 5'-monomethylphosphate +CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O U35 (2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O U36 2'-o-methyoxyethyl-uridine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O U37 uridine 5'-monothiophosphate +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O U3A 5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide +CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC U3D [(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN U3G (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O U3H 3'-deoxy-uridine 5'-triphosphate +c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O U3J xanthosine diphosphate +Cc1ccc(o1)CN(C)Cc2ccccc2 U3K ~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine +c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5 U3M 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid +c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F U3N 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O U3P 3'-uridinemonophosphate +c1ccc2c(c1)cccc2CCCCC(=O)O U3Q 1-naphthalenepentanoic acid +C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U3S 1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +C#CCOc1ccccc1CCCCCC(=O)O U3T 6-(2-prop-2-ynoxyphenyl)hexanoic acid +CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3 U3V (2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide +CN1C(=O)N(C(=O)S1)Cc2ccccc2 U3W 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione +c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2 U3X 4-[(cyclohexylmethyl)amino]-l-phenylalanine +CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U3Y (4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O U3Z (3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl U41 3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O U44 (2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O U46 (5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O U48 5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate +c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N U49 (20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile +c1cnc(c(c1C(=O)O)F)C(=O)O U4B 3-fluoranylpyridine-2,4-dicarboxylic acid +[H]/N=C(\N)/NCCCCCCCC U4G n-octylguanidine +COc1ccc(cc1)c2cccc(c2)C(=O)O U4J 3-(4-methoxyphenyl)benzoic acid +c1ccc2c(c1)ccnc2SCC(=O)O U4K 2-isoquinolin-1-ylsulfanylethanoic acid +C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O U4M 1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F U4N 2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O U4P 5'-deoxyuridine +c1c(c(cnc1C(=O)O)F)C(=O)O U4Q 5-fluoranylpyridine-2,4-dicarboxylic acid +C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U4S 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O U4T 4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N U4V 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine +CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F U4W n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N U4Y (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid +CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2 U51 (5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid +C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C U52 2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC U53 ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate +c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N U55 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide +CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N U57 (2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol +c1ccc2c(c1)c(ncn2)SCCC(=O)O U58 3-(quinazolin-4-ylsulfanyl)propanoic acid +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N U5A [(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2 U5B 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid +CNC(=O)c1cc2c(s1)-c3ccccc3CC2 U5E n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O U5F 5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C U5G boceprevir (bound form) +CN1[C@@H](CCC1=O)c2cccnc2 U5H (5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one +CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O U5J [(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury +C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5M 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U5P uridine-5'-monophosphate +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5R 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione +Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2 U5T (4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one +c1ccc(c(c1)CN)F U5V 1-(2-fluorophenyl)methanamine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O U5W 1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3 +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F U5Y (12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide +c1cc(ccc1NNC(=S)N)F U5Z 1-[(4-fluorophenyl)amino]thiourea +c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O U61 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol +c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2 U62 4~{h}-thieno[3,2-c]chromene-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O U63 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F U64 6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile +COC(=O)c1cc2c(s1)-c3ccccc3OC2 U65 methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate +c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N U66 (20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile +CC(C)CCCN U67 4-methylpentan-1-amine +CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O U68 (4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate +C[C@H]([C@@H](C(=O)O)NC(=O)O)O U6A n-carboxy-l-threonine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N U6B 4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F U6D (1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl U6E 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide +c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl U6G 4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide +COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5 U6H 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U6J (1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O U6K (2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol +CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U6M 6-methyluridine 5'-(dihydrogen phosphate) +CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6N (2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6Q (2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F U6T 4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F U6V n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O U6Z 1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U71 (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C U72 2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine +CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1 U73 n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O U75 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U77 n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +Cc1ccccc1CCNC(=O)C U78 ~{n}-[2-(2-methylphenyl)ethyl]ethanamide +c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N U7A n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F U7B 2'-deoxy-2'2'-difluorodeoxycytidine +c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2 U7E 5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U7G n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5 U7H 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3 U7J n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O U7K (e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C U7P (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one +c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F U7Q ~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine +Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2 U7S 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one +c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O U7T [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite +Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7V tedizolid +C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3 U7W 2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone +Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7Y tedizolid isomer +c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl U7Z 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide +c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br U81 5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one +CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4 U82 3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N U85 1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium +c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl U87 5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine +c1c(scn1)N(=O)=O U88 5-nitro-1,3-thiazole +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O U89 n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid +c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N U8B (2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N U8D (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid +CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC U8G (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium +CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC U8J n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O U8K 3-(phenylsulfonylamino)pyridine-2-carboxylic acid +c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N U8M 3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine +c1ccc2c(c1)C(=CNC2=O)O U8N 4-oxidanyl-2~{h}-isoquinolin-1-one +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C U8P tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate +c1cc(ccc1C(F)(F)F)OC2CCNCC2 U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine +c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3 U8T 6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one +CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U8U 5-methylaminomethyl-2-thiouridine-5'-monophosphate +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U8V 6-o-butanoyl-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O U8W (2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid +C(/C(=C\OP(=O)(O)O)/O)O U8Z [(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate +Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F U91 1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide +COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O U94 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F U95 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O U97 2-o-sulfo-beta-l-galactopyranuronic acid +c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F U98 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide +[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O U9A [(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid +c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O U9B (1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC U9D 4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose +CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl U9E 3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O U9G 2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose +c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O U9H 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9J (2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F U9K (1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9M (2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC U9N [(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate +[C@@H]1([C@H](O1)C(=O)O)C(=O)O U9S (2r,3s)-oxirane-2,3-dicarboxylic acid +CC1CCN(CC1)C(=O)NCCc2ccccc2F U9T ~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC U9V pentadecyl(tetradecyl)peroxyanhydride +CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl U9W ~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N U9Y 1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine +CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F U9Z 4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC UA1 n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide +c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O UA2 3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O UA3 uracil arabinose-3'-phosphate +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC UA4 (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one +CCc1ccc(cc1)NS(=O)(=O)O UA5 (4-ethylphenyl)sulfamic acid +c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br UA7 brodifacoum +CC1CCN(CC1)C(=O)NC2CCCCCC2 UA8 ~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide +C1=C(NC(=O)NC1=O)CC(=O)O UAA uracil-6-acetic acid +CC1CCN(CC1)C(=O)NCCCCc2ccccc2 UAB 4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UAD [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC1CCN(CC1)C(=O)NC2CCCCC2 UAE ~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UAG uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate +Cc1c(cc(cn1)COP(=O)(O)O)O UAH (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O UAJ chlorophacinone +CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2 UAK 4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide +C(=C(/C(=O)O)\N)\NC(=O)N UAL (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid +CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O UAM amicoumacin a +CNC1=Nc2c(ncn2C)C(=O)N1 UAN 9-methyl-2-(methylamino)-1h-purin-6-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O UAP 4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid +CC1CCN(CC1)C(=O)NCc2ccco2 UAQ ~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UAR uracil arabinose-5'-phosphate +c1ccc(cc1)C2C(=O)c3ccccc3C2=O UAS phenindione +CC1CCN(CC1)C(=O)NCc2ccccc2 UAT 4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide +C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O UAV (2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)O UAW ~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide +[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O UAY 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC UAZ ~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide +CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N UB1 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB2 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB3 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine +c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N UB4 (2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid +CCCCCNC(=O)N1CCC(CC1)C UB5 4-methyl-~{n}-pentyl-piperidine-1-carboxamide +c1cc(ccc1C(=O)O)C(=O)O UB7 terephthalic acid +CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N UBA (s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O UBB 2',3'-dideoxy-uridine-5'-monophosphate +c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O UBC (s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O UBD uridine 3',5'-bis(dihydrogen phosphate) +CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N UBE 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid +c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O UBF 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O UBG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UBI 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O UBM coenzyme f420-4 +CCCCCCCCNC(=O)N1CCC(CC1)C UBN 4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide +C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N UBP 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine +CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C UBQ 4-methyl-~{n}-undecyl-pyridine-1-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O UBR 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBS n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine +CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBT n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine +CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBU n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBV n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine +CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBW n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline +CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O UBX n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBY n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine +CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBZ (2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid +Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl UC1 2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide +Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl UC2 n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide +CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C UC3 1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate +CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl UC4 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O UC5 2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6 UC8 ~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O UC9 4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid +C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O UCA s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate +CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5 UCB 1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium +CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UCC s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O UCD (4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5 ,6-dihydro-4h-pyran-2-carboxylic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6 UCE ~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N UCG 3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) +CC(C)OP(=O)(C)O UCJ propan-2-yl hydrogen (s)-methylphosphonate +c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl UCK (2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O UCL 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O UCM rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC UCN 7-hydroxystaurosporine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O UCP phosphomethyl phosphonic acid deoxyuridylate ester +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2 UCS n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide +CC(C)[C@@H](CNC(=O)N)N UCV 1-[(2~{s})-2-azanyl-3-methyl-butyl]urea +CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N UCW tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate +CC1(CCC[C@@H]1O[P@H](=O)C)C UCY (1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate +CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O UCZ (1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O UD0 (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD1 uridine-diphosphate-n-acetylglucosamine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD2 uridine-diphosphate-n-acetylgalactosamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N UD4 udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F UD5 5-fluorouridine +CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD6 [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O UD7 [(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C UD8 n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD9 (2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O UDA 3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F UDB (s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O UDC 2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose +c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F UDD n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N UDE 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O UDG (2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O UDH 6-aminohexyl-uridine-c1,5'-diphosphate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C UDJ (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one +CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O UDK (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDM uridine-diphosphate-methylene-n-acetyl-glucosamine +CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDN uridine-diphosphate-methylene-n-acetyl-galactosamine +c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F UDO (s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O UDP uridine-5'-diphosphate +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O UDQ n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide +Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C UDR (e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate +c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O UDS n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine +CCCCCCCCCCOC(=O)S UDT o-decyl hydrogen thiocarbonate +Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C UDV 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] +c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO UDW (s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UDX uridine-5'-diphosphate-xylopyranose +c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F UDY 6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O UDZ [(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium +CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O UE1 (4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C UE2 (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C UE5 (r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide +c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3 UE8 2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one +C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O UEA beta-d-sorbofuranose +c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N UEB (s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2 UED n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O UEE (r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide +Cc1c(c(c(cn1)CO)CO)O UEG 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C UEH (r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F UEJ n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl UEK n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide +c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F UEN n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UEP 6-ethyluridine 5'-phosphate +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O UEQ 4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3 UET n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O UEV (1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O UEW n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide +c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N UEY 7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C UEZ (r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O UF0 o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UF2 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N UF4 4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine +c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N UF7 7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5 UF8 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one +c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N UFA 7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UFB 2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N UFD 7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O UFE fe(iii) uroporphyrin +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O UFG uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose +c1cc(c(cc1n2ccnc2)Br)C=O UFH 2-bromanyl-4-imidazol-1-yl-benzaldehyde +c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I UFJ n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O UFK cinnamtannin b1 +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UFM uridine-5'-diphosphate-mannose +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O UFN modified form of cinnamtannin b1 with sp3 hybridized c5' +CN1CCN(c2c1ccc(c2)CN)C UFO 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O UFP 5-fluoro-2'-deoxyuridine-5'-monophosphate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O UFQ cytosine 5'-[gamma-thio]triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O UFR 2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate) +C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO UFS n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UFT 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate) +c1c(cc(c(c1N)N)Br)C(F)(F)F UFV 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine +Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C UFW ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O UFY n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide +c1ccc(cc1)C[NH3+] UFZ (phenylmethyl)azanium +c1cnccc1n2cnc(c2N)C(=O)N UG1 5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(cc3)CO UG2 [4-(2-phenylimidazol-1-yl)phenyl]methanol +c1cc(cnc1)n2cnc(c2N)C(=O)N UG4 5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide +c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F UG5 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F UG7 n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide +c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2 UG8 4-piperidin-1-ylsulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O UGA uridine-5'-diphosphate-glucuronic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O UGB (2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid +[C@H](C(=O)O)(NC(=O)N)O UGC (2s)-(carbamoylamino)(hydroxy)ethanoic acid +c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3 UGD n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide +c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O UGE 4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O UGF (2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 UGG 2-(isoquinolin-4-yl)-n-phenylacetamide +C(CN)CNCCS UGH wr-1065 +c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F UGI 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl UGJ 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile +Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC UGK 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one +c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N UGM 2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C UGN 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine +Cc1ccncc1NC(=O)Cc2cccc(c2)C#N UGP 2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 UGQ 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline +COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2 UGS n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide +c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3 UGT n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide +c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl UGV 2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide +CC(C)(C)c1ccc(c(c1)C(C)(C)C)O UGW 2,4-di~{tert}-butylphenol +CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 UGX n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +[C@H](C(=O)O)(N)NC(=O)N UGY (2s)-amino(carbamoylamino)ethanoic acid +COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4 UGZ n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide +c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2 UH1 2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide +Cc1ccc(s1)NC(=O)Nc2cccnc2 UH4 n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O UH5 3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)Cc2cccc(c2)Cl UH7 2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3 UH8 methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl UHA (2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide +c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O UHB 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide +CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O UHD 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C UHF n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide +C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O UHG (2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C UHH (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide +[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1 UHJ n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide +c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N UHM 2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide +c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3 UHN 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde +CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHQ 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C UHS n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide +CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O UHT ~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UHV n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHW 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde +COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N UHX 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C UHY n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide +CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O UHZ (5-methanoyl-2-nitro-phenyl) methanesulfonate +c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN UI1 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide +c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N UI2 8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide +[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N UI3 7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide +C[C@H](CN)NC(=O)O UIA [(2~{r})-1-azanylpropan-2-yl]carbamic acid +CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5 UIB (1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO UIC (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N UIH 6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CC(C)C[C@H](CN)NC(=O)O UIL [(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O UIN 5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one +CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N UIP (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N UIQ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N UIR (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N UIZ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C UJ1 n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O UJ2 2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UJ4 n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC UJ5 2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4 UJ6 5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid +C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6 UJ7 (2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O UJ8 (~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol +c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl UJA (2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C UJB (2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one +C1CSC(S1)C(=O)O UJD 1,3-dithiolane-2-carboxylic acid +C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 UJE 5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7 UJG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CON1C=CC(=O)c2c1cccc2 UJH 1-methoxy-4-oxoquinoline +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7 UJJ [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1ccccc1n2cc(nn2)C(=O)O UJK 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid +C1C[C@H](SC1)C(=O)O UJM (2s)-thiolane-2-carboxylic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O UJN [oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid +C1C[C@@H](SC1)C(=O)O UJP (2r)-thiolane-2-carboxylic acid +c1ccc2c(c1)C(c3ccccc3O2)C(=O)O UJQ 9~{h}-xanthene-9-carboxylic acid +[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N UJW 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide +c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F UJZ 4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole +CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C UK1 3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one +B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O UK2 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O UK4 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)C(=O)C=CN2O UK5 1-oxidanylquinolin-4-one +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO UK7 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F UK8 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O UKA 6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F UKB 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid +CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C UKC 8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene +c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O UKD 3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +COc1ccc2c(c1)nc(o2)C(=O)O UKE 5-methoxy-1,3-benzoxazole-2-carboxylic acid +B(c1ccc(cc1)[N+](=O)[O-])(O)O UKH p-nitrophenylboronic acid +c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F UKJ 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene +c1ccc(cc1)Oc2ccc(cn2)N UKK 6-phenoxy-3-pyridinamine +CCC[C@H](O)S(=O)(=O)O UKM (1r)-1-hydroxybutane-1-sulfonic acid +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C UKP [2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O UKQ (1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol +B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O UKS [(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O UKT (1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol +COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2 UKV (5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O UKW 4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide +c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O UKY 3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 UKZ n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide +COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 UL1 (5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 UL2 n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide +CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C UL4 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 UL5 ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide +c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl UL7 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3 UL8 ~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide +C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O ULA ulapualide a +Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 ULB 3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole +c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F ULD cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3 ULE ~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F ULF [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F ULG (1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol +C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3 ULH ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI tetracontane +COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC ULJ 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O ULK ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide +c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F ULM (6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4 ULN ~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O ULP (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name) +CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4 ULQ 6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide +c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N ULS 3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F ULT 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULV 4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C ULW [(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate +COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULY 4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 ULZ 4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C UM0 (2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN UM1 (2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid +CCCCNC(=O)[C@H](C)N UM2 (2s)-2-amino-n-butyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O UM3 2'-deoxyuridine 3'-monophosphate +c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N UM4 4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3 UM5 n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide +COC(=O)[C@@H]1CCCNN1 UM7 methyl (3s)-hexahydropyridazine-3-carboxylate +Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4 UM8 2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UMA uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine +CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O UMB 6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide +C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UMC 2'-deoxy-5'-uridylic acid +CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C UME n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F UMF 2'-fluoro-2'-deoxyuridine 3'-monophosphate +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C UMG methyl-umbellifertl-n-acetyl-chitotriose +COc1ccc2c(c1)cc(cn2)C(=O)O UMH 6-methoxyquinoline-3-carboxylic acid +CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O UMJ 1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid +c1cc(ccc1C2(CCNCC2)O)Br UMK 4-(4-bromophenyl)piperidin-4-ol +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UML uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine +CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C UMM tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate +c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UMN 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide +CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UMO 2'-f-4'-ome u +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMP 2'-deoxyuridine 5'-monophosphate +CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O UMQ undecyl-maltoside +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMS 2'-methylselenyl-2'-deoxyuridine-5'-phosphate +c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 UMT 4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N UMV methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate +CC(C)(CN1CC[C@@H](C1)N)O UMW 1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol +C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UMX [(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N UMY 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)c(c[nH]2)CCc3ccncn3 UMZ 3-(2-pyrimidin-4-ylethyl)-1~{h}-indole +C(C[C@@H](C(=O)O)N)CC(=O)O UN1 2-aminohexanedioic acid +C([C@@H](C(=O)O)N)C(O)O UN2 2-amino-4,4-dihydroxybutanoic acid +Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O UN3 (2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid +c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3 UN4 5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O UN5 {3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid +c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O UN6 (3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O UN7 3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F UN8 n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O UN9 n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine +CCCCCCCCCCC=O UNA undecanal +[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N UNB n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide +C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N UNC 5-amino-6-nitropyrimidine-2,4(1h,3h)-dione +CCCCCCCCCCC UND undecane +COc1cc(cc2c1oc(c2)C(=O)O)Br UNE 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C UNH ({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester +c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O UNI 4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide +c1cc2c(cc1Br)cc(o2)C(=O)O UNJ 5-bromo-1-benzofuran-2-carboxylic acid +CC[C@@H](C(=O)O)N UNK unknown + UNL unknown ligand +c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O UNM 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid +C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F UNN (6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O UNP 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine +c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O UNQ 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid +C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O UNR 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium +Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F UNS 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4 UNT (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid +c1ccc(cc1)C(=O)N UNU benzamide +c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O UNV 6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UNW 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one +* UNX unknown atom or ion +C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNY (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNZ (2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O UO1 n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide +C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N UO2 (2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N UO4 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UO5 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one +C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C UO7 (2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone +c1nc2c(n1C3CCCCC3)NC(=NC2=S)N UO8 2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione +CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOA [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOB 2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate) +CCCCCCCCCC(=O)C UOC undecan-2-one +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C UOD (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UOE (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C UOG (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl UOH (2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +Cc1cc(on1)C(=O)Nc2ccncc2 UOI 3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C UOJ (2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +COc1ccc2c(c1)c(c[nH]2)CC#N UOK 2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N UOM 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile +COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl UON 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde +CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N UOP 4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide +CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UOQ undeca-2-one coenzyme a +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl UOS 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one +COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O UOT 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde +Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4 UOV n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide +C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl UOW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide +C([C@@H](C(=O)O)N)[Se@@H]=O UOX 3-(oxido-lambda~4~-selanyl)-l-alanine +CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2 UOY 4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O UP1 uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O UP2 uroporphyrinogen iii +c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O UP3 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl UP4 n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N UP5 p1-(adenosine-5'-p5-(uridine-5')pentaphosphate +C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UP6 6-aza uridine 5'-monophosphate +c1cc(c(c(c1)N)C(=O)O)C(=O)O UP8 3-aminobenzene-1,2-dicarboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N UPA uridylyl-2'-5'-phospho-adenosine +C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C UPB 3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O UPC 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine +CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC UPD 1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O UPE 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O UPF uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UPG uridine-5'-diphosphate-glucose +CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2 UPJ 1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O UPK 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol +CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC UPL unknown branched fragment of phospholipid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO UPM uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O UPN 2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid +c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UPP phenyl-uridine-5'-diphosphate +Cc1cn(cn1)c2ccc(cc2)C=O UPQ 4-(4-methylimidazol-1-yl)benzaldehyde +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O UPR 2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O UPS 2'-deoxy-5'-o-thiophosphonouridine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O UPT 1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O UPU [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate +CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UPV 2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O UPW 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] UPX n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C UQ coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C UQ1 ubiquinone-1 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C UQ2 ubiquinone-2 +c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O UQ4 n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ5 2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone +Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ6 5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ7 ubiquinone-7 +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ8 ubiquinone-8 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C UQ9 ubiquinone-9 +CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 UQA 5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione +c1cc(ccc1[C@H](CN)O)F UQB (1r)-2-amino-1-(4-fluorophenyl)ethanol +[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQD 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQG 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +Cn1cc(c(n1)C(F)F)C(=O)N UQJ 3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide +CC(C)(C(=O)O)NC(=O)C(=O)O UQK n-oxalyl-alpha-methylalanine +CC(=O)Nc1ccc(cc1)CC(=O)N UQM n-[4-(2-amino-2-oxoethyl)phenyl]acetamide +Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br UQN 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +c1ccc(c(c1)CNc2c[nH]nc2)F UQS n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine +CC(=O)Nc1ccccc1CC(=O)O UQV [2-(acetylamino)phenyl]acetic acid +CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C UQW [(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate +CNC1(CCCC1)C(=O)N UQY 1-(methylamino)cyclopentane-1-carboxamide +CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C UQZ ~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide +Cc1cc(cc(c1)S(=O)(=O)N)F UR1 3-fluoro-5-methylbenzene-1-sulfonamide +CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O UR2 4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UR3 3-methyluridine-5'-monophoshate +COCC(=O)Nc1nc(cs1)c2ccccc2 UR4 2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O UR5 (+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +Cc1ccc(cc1F)CS(=O)(=O)N UR7 1-(3-fluoro-4-methylphenyl)methanesulfonamide +C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O UR8 (-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +C1=CNC(=O)NC1=O URA uracil +C1=C(C(=O)NC(=O)N1)Br URB 5-bromopyrimidine-2,4(1h,3h)-dione +C12=C(NC(=O)N1)NC(=O)NC2=O URC uric acid +C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URD 1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione +C(=O)(N)N URE urea +C1=C(C(=O)NC(=O)N1)F URF 5-fluorouracil +c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N URH ~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URI uridine +Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F URJ 4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide +COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C URK [(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate +CC(C)C[C@@H](CNC(=O)O)N URL [(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O URM (((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +C1(=C(NC(=O)NC1=O)N)N URN 5,6-diaminopyrimidine-2,4(1h,3h)-dione +c1c(nc[nH]1)C=CC(=O)O URO (2e)-3-(1h-imidazol-4-yl)acrylic acid +C(CNC(=O)N)C(=O)O URP n-(aminocarbonyl)-beta-alanine +C[C@@H](CNC(=O)N)C(=O)O URQ (2s)-3-(carbamoylamino)-2-methylpropanoic acid +c1ccc(cc1)NC(=S)N URS n-phenylthiourea +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N URT ({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O URU ((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate +CC(C)[C@@H](CNC(=O)O)N URV [(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid +C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N URW 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide +C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O URX [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O URY 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S US1 2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate) +CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US2 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) +CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US3 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O US4 [(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O US5 1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one +CS(=O)(=O)c1ccc(cc1)N2CCNCC2 US7 1-[4-(methylsulfonyl)phenyl]piperazine +CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3 US8 2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide +[H]/N=C/c1[nH]ccn1 USA (e)-1-(1h-imidazol-2-yl)methanimine +CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O USC 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +[H]/N=C/c1ncccn1 USD (e)-1-(pyrimidin-2-yl)methanimine +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O USE orientin +c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F USG 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one +CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl USH 2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide +CN1[C@H](c2ccccc2[C@@H]1O)O USJ (1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol +CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O USM 2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate) +C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C USN dimethylated-f430 cofactor +CN1c2ccc(cc2O[C@H]1O)N USP (2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O USQ sulfoquinovose-uridine-c1,5'-diphosphate +c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F USS 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one +c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O UST 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl USW 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F USY n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F USZ ~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide +CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C UT0 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone +COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O UT2 n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2 UT4 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one +CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F UT5 n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O UT7 oxa(dethia)-coa +COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O UT8 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UTA acetyl-oxa(dethia)-coa +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O UTB 1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione +c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl UTD 4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one +c1ccc(c(c1)NC(=S)NCc2ccco2)Cl UTG n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea +Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C UTH 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid +c1cc2ccncc2c(c1)c3ccc(cc3)CC#N UTJ [4-(isoquinolin-8-yl)phenyl]acetonitrile +CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7 UTM 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O UTP uridine 5'-triphosphate +c1ccc(cc1)Cn2cnc3c2cccc3 UTS 1-benzyl-1h-benzimidazole +CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C UTV 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one +B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N UTX 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide +C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N UTY 3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile +c1c(cn(n1)CCO)Br UU1 2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol +C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O UU3 (5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione +C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N UU4 (2s)-2-amino-4-(l-serylamino)butanoic acid +C(CNC(=O)C=O)[C@@H](C(=O)O)N UU5 (2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O UUA uridine uronic acid +CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl UUB (e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide +CC(=O)/N=C\1/Nc2ccccc2S1 UUD n-(1,3-benzothiazol-2-yl)acetamide +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F UUE 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene +COc1cc(ccc1CO)Br UUG (4-bromo-2-methoxyphenyl)methanol +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F UUH (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(c(cc1Br)C#N)O UUJ 5-bromo-2-hydroxybenzonitrile +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C UUK tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate +c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl UUL 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol +Cc1cc(no1)C(=O)Nc2cnn(c2)C UUM 5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO UUN n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide +c1cnc2c(cnn2c1)C(=O)NC3CC3 UUP n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide +C1=CN(C(=O)C=C1Br)CCO UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one +C[C@@H](CO)OC[C@H](C)OC[C@H](C)O UUT (2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O UUU (1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COCCn1cc(cn1)Br UUV 4-bromo-1-(2-methoxyethyl)-1h-pyrazole +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C UUW n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide +CN(CCO)c1ccccn1 UUY 2-[methyl(pyridin-2-yl)amino]ethan-1-ol +COc1cccc2c1CCCC(=O)N2 UV1 6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one +c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O UV4 3-(benzoylamino)-n-oxobenzamide +CC(=O)NCc1c[nH]nc1 UV7 n-[(1h-pyrazol-4-yl)methyl]acetamide +CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C UV8 3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid +CNc1ccccc1S(=O)(=O)C UVA n-methyl-2-(methylsulfonyl)aniline +c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O UVB 4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O UVC uridine-2',3'-vanadate +COC(=O)Nc1ccc(cc1)Cc2ccncc2 UVD methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate +c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O UVE 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde +CN(C)C(=O)c1c[nH]nc1 UVG n,n-dimethyl-1h-pyrazole-4-carboxamide +CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UVH 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde +Cc1nc2ccccc2n1CCC(=O)N UVJ 3-(2-methyl-1h-benzimidazol-1-yl)propanamide +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F UVK 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CCOC(=O)N1CCOCC1 UVM ethyl morpholine-4-carboxylate +c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 UVN 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde +CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O UVP 1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F UVQ 4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +COCc1nnc(s1)N UVS 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine +C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O UVT 4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde +CC1=CC=C(C(=O)N1C)N UVV 3-amino-1,6-dimethylpyridin-2(1h)-one +CC(=O)OP(=O)(O)O UVW acetylphosphate +C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UVX [(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCn1cc(cn1)CCO UVY 2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl UVZ 4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N UW1 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O UW2 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5 UW3 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide +CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N UW4 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O UW5 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +Cn1c2c(nn1)CC[C@@H](C2)C(=O)O UW7 (6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid +C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O UW8 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N UW9 1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N UWA 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N UWB 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNCc1nnc2n1cccc2 UWD n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine +C(#[O+])[Ni] UWE $l^{3}-oxidanylidynemethylnickel +C[C@@H](c1cnn(c1)C2CCCC2)O UWG (1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol +COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWH 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C UWJ 5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O UWK 4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N UWM trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6 UWN [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N UWP [3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile +COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWQ 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde +Cc1cc(on1)CN2C(=O)C=CC(=N2)C UWS 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one +C[C@H](CO)OC[C@H](C)OC[C@H](C)O UWT (2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl UWU 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one +c1ccc(c(c1)NCc2cc[nH]n2)F UWV 2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C UWX ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +CCn1cc(cn1)NC(=O)C2CCCC2 UWY n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide +CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3 UWZ ~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide +COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO UX0 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol +CNC(=O)C1(CC1)Cc2ccccc2F UX1 1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C UX4 ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate +COc1ccc2c(c1)sc(n2)NC(=O)C3CC3 UX7 n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide +c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O UX8 (2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid +CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC UX9 methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1cc2c(cc1C(=O)NC3CC3)OCO2 UXA ~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide +c1c(cn[nH]1)C(=O)N2CCCC2 UXD (1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone +CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C UXE 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol +c1ccc(cc1)C(c2ccccc2)N3CC(C3)O UXG 1-(diphenylmethyl)azetidin-3-ol +CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O UXH 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +Cc1c(c[nH]n1)CNc2ccccc2F UXJ 2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline +CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXK 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine +CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N UXM (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide +CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O UXN 4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide +c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5 UXP [(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol +c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl UXQ (2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid +CSCC[C@@H](CO)N UXS (2s)-2-amino-4-(methylsulfanyl)butan-1-ol +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXT 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXW 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C(CN)[C@H](C[C@@H](C(=O)O)N)O UXY (4r)-4-hydroxy-l-lysine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UXZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O UY1 2'-o-methylpseudouridine-5'-monophosphate +CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C UY2 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one +C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O UY4 (2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid +CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C UY5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H](CN[C@H]1C(=O)O)O UY7 (4s)-4-hydroxy-d-proline +C1[C@H](CN[C@H]1C(=O)O)O UYA (4r)-4-hydroxy-d-proline +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C UYC 3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4 UYD (2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol +CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 UYG (3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC UYH [(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5 UYK (r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5 UYM (3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N UYN [[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium +c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N UYQ [[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium +CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 UYS 3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide +C/C(=N\NC(=[NH2+])N)/c1ccccc1 UYT [azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium +c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl UYW [azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C UYZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-] UZ0 2'-azido-2'-deoxyuridine +C1CC1N UZ1 cyclopropanamine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C UZ2 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N UZ4 (2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid +CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C UZ5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +c1ccc(cc1)OC(=O)O UZ7 phenyl hydrogen carbonate +C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C UZ9 (2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid +CC/C=C/CCC[C@@](C)(C(=O)O)N UZA (2s,6e)-2-amino-2-methylnon-6-enoic acid +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C UZB 9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one +CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O UZD methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside +CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZE 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N UZG 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide +CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZH 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H]([C@@H](CO[C@H]1O)O)O UZJ 2-deoxy-beta-d-ribopyranose +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5 UZK (2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO UZM (3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide +CCCC[C@@H](CNC(=O)O)N UZN [(2~{s})-2-azanylhexyl]carbamic acid +CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl UZP (3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide +CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C UZQ (2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N UZR 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate +C(CCCS)CCC(=O)NO UZS n-hydroxy-7-sulfanylheptanamide +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4 UZT (2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C(CCS)CC(=O)NO UZV n-hydroxy-5-sulfanylpentanamide +c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO UZW ~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide +C(CCC(=O)NO)CCS UZY n-hydroxy-6-sulfanylhexanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN UZZ 1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine +[V+3] V vanadium ion +c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5 V01 n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide +CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN V02 3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol +c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO V04 4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide +c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F V05 3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide +Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V07 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine +CC(C)[C@H](C=O)[C@H](C(=O)O)O V08 (2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid +C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C V0A (3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione +Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3 V0B n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide +CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V0D 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine +c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0E 2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl V0G n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide +c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0H 2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile +CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6 V0J (2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid +CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5 V0K 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide +C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 V0L volitinib +c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl V0M 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O V0N 2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N V0P 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine +CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO V0Q [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl V0S 3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide +c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O V0T 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol +C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O V0V (3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name) +Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C V0W 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane +CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC V0Y 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile +CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V10 n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O V11 [(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate +c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O V12 5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine +C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(cc1)CCC2=CC(=O)NC(=N2)N V15 2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one +CCCCc1ccc(c(c1)C)N/C=N\O V16 n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide +c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6 V17 (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone +c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O V18 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione +CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C V1A s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate +c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 V1B 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione +CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F V1D n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide +Cc1ccc(cc1)S(=O)(=O)N(C)C V1E ~{n},~{n},4-trimethylbenzenesulfonamide +c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3 V1F 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO V1G (1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide +Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC V1H 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine +C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO V1J 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol +Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC V1K 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole +C1CCNC(=O)C1 V1L piperidin-2-one +Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC V1M methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate +c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O V1N [(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate +CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O V1P 5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide +Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C V1Q 4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide +CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O V1S (1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CN1c2ccc(cc2N(C1=O)C)C(=O)N V1T 1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide +CCC[C@@H]([C@@H](C(=O)O)O)N V1V (2s,3s)-3-amino-2-hydroxyhexanoic acid +c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O V1W v-coelenterazine +Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl V1Y 4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide +CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V20 n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N V21 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide +c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4 V22 ~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V24 n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine +CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N V25 ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate +CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F V26 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide +CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O V27 1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V28 n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine +CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N V2A neoseptin 3 +CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC V2C methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate +Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O V2D methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate +c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] V2E 3-morpholin-4-yl-4-nitro-benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N V2G 2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C V2H (1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N V2J 5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine +Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC V2K 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC V2M n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC V2N 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N V2P (2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid +COC1CN(C1)C(=O)c2ccc(cc2)C=O V2Q 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde +c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V2S (2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid +Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O V2T 4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O V2V cdp-ribitol +COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O V2W 4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide +CCCC1=NC(=CNC1=O)c2cccnc2 V2Z 3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one +Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C V30 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide +c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br V31 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid +c1cc(ccc1C=O)C(=O)N2CCOCC2 V32 4-morpholin-4-ylcarbonylbenzaldehyde +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC V34 ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V35 d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V36 l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4 V37 [(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate +C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O V38 [(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate +Cc1c(cccc1OCc2cccc(n2)CO)O V39 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N V3A 9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O V3B 4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC V3D (3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate +CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C V3H (2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid +c1cc2c(cc1C(=O)N3CCOCC3)nns2 V3J (4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O V3K 4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N V3L 2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate) +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O V3M 2-deoxy-2-fluoro-alpha-d-arabinofuranose +c1cc(ccc1C=O)C(=O)NCC2CCOCC2 V3N 4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide +c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I V3P 4-iodophenyl 1,4-dithio-beta-d-glucopyranoside +COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O V3Q 4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide +CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3 V3S (2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide +Cn1ccnc1CNC(=O)c2ccc(cc2)C=O V3T 4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide +CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O V3V 2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid +COC1CCN(CC1)C(=O)c2ccc(cc2)C=O V3W 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde +CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O V3Z (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate +[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N V41 (2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide +Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V42 (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate +Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C V44 s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl V45 (2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide +c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V47 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine +COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V48 (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate +c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F V49 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7 V4A platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] +Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4B [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate +c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N V4D 4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O V4E thiamine triphosphate +c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O V4H 4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde +CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O V4J 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO V4K 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde +c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl V4M 2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide +c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4N (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate +[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-] V4O cyclo-tetrametavanadate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6 V4Q n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide +C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3 V4T 1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 +c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V4V 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O V4W 4-deoxy-l-erythro-hex-5-ulosuronic acid +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N V4Y 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl V4Z 5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide +C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F V51 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 V52 1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N V54 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +COc1cc(ccc1O)C=O V55 4-hydroxy-3-methoxybenzaldehyde +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO V56 (4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V57 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N V5A adenosine-5'-vanadate +COS(=O)(=O)O V5B methyl sulfate +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N V5D 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4 V5E 5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N V5G 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine +Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F V5J 3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide +COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O V5M (2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid +c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O V5N (2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid +COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O V5P lignostilbene +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC V5Q ~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide +c1cc(ccc1NCCO)Br V5S 2-[(4-bromophenyl)amino]ethan-1-ol +c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F V5V (1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) +c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl V5W 4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5 V5X (2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide +C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O V5Z dmhbo+ +C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N V61 2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br V62 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3 V63 [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V64 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate +c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V66 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate +c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3 V67 4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid +CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N V68 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine +CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO V69 (4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F V6A selinexor, bound form +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br V6B 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C V6D (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione +c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl V6E 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O V6F (4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide +Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C V6G 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one +c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F V6H 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O V6M 7-methyl-3-phenyl-1h-indole-2-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)O V6P 3-phenoxyphenol +c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O V6S 4-(3-hydroxyphenoxy)benzoic acid +CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C V6T dmhbi+ +Cc1c2cc(ccc2[nH]c1C(=O)O)Br V6V 5-bromo-3-methyl-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O V6Y 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N V71 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O V74 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid +CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O V75 (2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid +CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O V77 {[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O V78 methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC V7A sarecycline +CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C V7B [(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate +CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1 V7D 2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC V7G n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O V7H (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N V7K (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +Cc1cc(cc(c1)F)C V7M 1-fluoro-3,5-dimethylbenzene +C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O V7N (2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid +O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O V7O meta vanadate +c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N V7P (2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal +c1cc(c2c(c1)nsn2)CN V7Q 2,1,3-benzothiadiazol-4-ylmethanamine +CSCc1cccc(c1)CSC V7S 1,3-bis[(methylsulfanyl)methyl]benzene +[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O V7T (2r)-6-azanyl-2-carbamimidamido-hexanoic acid +c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O V7V 3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O V7W (2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid +C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N V7Y 2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C V81 5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O V82 [4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O V84 2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S V85 (2r)-n,3-diphenyl-2-sulfanyl-propanamide +c1ccc(cc1)CCCCNC=O V87 n-(4-phenylbutyl)formamide +c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8 V8A 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O V8B 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one +CCOC(=O)c1cncn1[C@H](C)c2ccccc2 V8D ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate +CCCCC1CCC(CC1)C(=O)O V8G trans-4-butylcyclohexane-1-carboxylic acid +C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O V8H [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O V8K dolichylphosphate +c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O V8M n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1cc(cc(c1)CN)CC(=O)O V8N 2-[3-(aminomethyl)phenyl]ethanoic acid +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O V8P (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide +C1C[C@H](NC1)[C@H](N)O V8W (r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O V8Y 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid +C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C V8Z (1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4 V91 n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 V95 methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate +c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V97 n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid +c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 V98 ~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9A n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid +CCC(=O)c1cc([nH]c1)C(=O)NC V9B n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CCNC(=O)O V9C 2-phenylethylcarbamic acid +c1cc(cc(c1)C(=O)NO)C(=O)NO V9D n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide +CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O V9G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine +C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O V9H 3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide +c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F V9J 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol +C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O V9K 2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide +C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C V9M (3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium +C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5 V9N (3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide +CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6 V9Q (3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4 V9S 6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O V9T 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9V n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid +CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C V9W (3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol +c1cc(oc1C(=O)NO)C(=O)NO V9Y n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide +Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC V9Z n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide +CCCCCC\C=C/CCCCCCCCCCOC(=O)C VA (z)-octadec-11-enyl acetate +B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O VA1 {5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid +[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O VA3 trivanadate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N VA4 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N VA5 9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N VA6 9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N VA7 2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C VA8 ~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide +CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VAA n-[valinyl]-n'-[adenosyl]-diaminosufone +C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O VAB 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid +c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O VAC n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide +CC(C)[C@H](C(=O)O)O VAD deaminohydroxyvaline +c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O VAE 3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)[C@@H](C(=O)C)N VAF methylvaline +CC[C@H]([C@@H](C(=O)O)N)O VAH (3r)-3-hydroxy-l-norvaline +CC(C)[C@@H](C(O)O)N VAI (2s)-2-amino-3-methylbutane-1,1-diol +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O VAJ [1,1'-biphenyl]-3,4'-dicarboxylic acid +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O VAK methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +CC(C)[C@@H](C(=O)O)N VAL valine +CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 l-valine c-terminal deprotonated fragment +CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H l-valine c-terminal protonated fragment +CC(C)[C@@H](C(=O)O)N VAL_LFOH l-valine free neutral +CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW l-valine free zwitterion +CC(C)[C@@H]([C-]=O)[NH-] VAL_LL l-valine - linking embedded fragment +CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 l-valine n-terminal protonated fragment +c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O VAO 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C VAP 6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O VAQ 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N VAR 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O VAS (2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O VAT 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O VAU (1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O VAW (2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate +C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O VAY {(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate +CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O VAZ n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine +CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N VB1 n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB2 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +C[C@@H](CC1CCCCC1)NCc2ccccc2O VB3 2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O VB4 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB5 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N VB7 {(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate +CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C VB8 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N VBA [(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate +c1cc(cc(c1)C(=O)O)c2ccc(cc2)N VBC 3-(4-aminophenyl)benzoic acid +C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C VBD (7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC VBE 1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F VBG 2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile +CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC VBH n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide +CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N VBM methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C VBN (4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O VBP 4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid +CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C VBS (3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O VBV [1,1'-biphenyl]-4,4'-disulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C VBY 5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O VBZ (1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O VC1 methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate +CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C VC2 (3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-] VC3 3-(4-nitrophenyl)-1h-pyrazole +COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O VC4 methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O VC5 methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VC6 4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O VC7 5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VC8 4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O VC9 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CCCCCCC=CCCCCCCCCCC(=O)O VCA vaccenic acid +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C VCD 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole +c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O VCE 3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO VCG 2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside +CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C VCH (1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide +c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F VCJ tetrakis(4-fluorophenyl)phosphanium +CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O VCK (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O VCP (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-] VCS 4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C VCV n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O VCW [(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC VCY [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VD1 5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol +CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O VD2 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C VD3 (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol +C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD4 (1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD5 (1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C VD8 3,5-di~{tert}-butylbenzenesulfonamide +CCCSc1ccc(cc1)S(=O)(=O)N VD9 4-(propylsulfanyl)benzenesulfonamide +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDA (1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDB (1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F VDJ [4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate +C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O VDK [(1s,3s)-3-carboxycyclohexyl]azanium +C[C@H]([C@H](C(=O)O)N)N VDL (2r,3r)-2,3-diaminobutanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO VDM (1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol +CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C VDN 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O VDO [(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate +C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C VDP (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one +c1cc(ccc1N)N2CCOCC2 VDQ 4-morpholin-4-ylaniline +C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O VDS beta-d-allofuranose +C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O VDV alpha-d-allofuranose +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] VDW [(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C VDX 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C VDY 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol +C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VDZ 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] VE4 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3 VE5 n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide +COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O VE7 [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C VEA 5-oxa-protoporphyrin ix containing fe +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O VEB [oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O VED 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-] VEE (1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC VEG ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate +Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5 VEH 6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC VEJ n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br VEK 6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC VEM n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6 VEN 2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3 VEP n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5 VEQ n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C VER iron-octaethylporphyrin +C1CCNC1 VES pyrrolidine +C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O VET [(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC VEV n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5 VEW n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC VEY n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC VF1 (2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol +CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl VF2 4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline +C[C@@H]1CCC[C@H](C1)O VF4 (1r,3s)-3-methylcyclohexan-1-ol +COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4 VFA n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide +c1ccc2c(c1)[nH]c3[n+]2nc[nH]3 VFB 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium +C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F VFC n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O VFD olodanrigan +CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl VFE 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide +CCC(=O)Nc1nnc(s1)S(=O)(=O)N VFG n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +CCCC(=O)Nc1nnc(s1)S(=O)(=O)N VFJ n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide +CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VFM 2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl VFN ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3 VFP 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3 VFS n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl VFT 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F VFV n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC VFW 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide +CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC VFY methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl VFZ ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O VG0 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O VG1 alpha-d-glucose-1-phosphate-6-vanadate +Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3 VG2 4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O VG3 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide +CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG4 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG5 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O VG6 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O VG7 n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6 VG8 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one +CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC VG9 6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5 VGA 1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol +CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 VGB (5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O VGC 6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid +c1cc2c(cc1Cl)[nH]c(n2)N VGD 6-chloro-1h-benzimidazol-2-amine +c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl VGF 1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine +Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N VGG 1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VGH 3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine +c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O VGI 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O VGJ (3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid +COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O VGK 4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid +c1cnc(cn1)C(=O)O VGL pyrazine-2-carboxylic acid +COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N VGM 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide +CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3 VGN 2-acetamido-5-(4-phenylphenyl)benzoic acid +C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O VGP (1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl VGQ 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VGS 2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N VGV n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide +CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C VGW 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile +C(CO)C(=O)C(=O)O VGX 4-hydroxy-2-oxobutanoic acid +C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O VGY 2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN VH0 (2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O VH1 2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate +c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O VH2 n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide +CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O VH4 1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VH5 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O VH7 n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide +CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VH8 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide +Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2 VHA 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine +Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VHB 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C VHC 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2 VHD 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol +Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C VHE 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione +CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C VHG 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O VHH 5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O VHI 5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHJ n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide +CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHK 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHM n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide +C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHN (2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C VHP n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl VHQ 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile +C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VHS 3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine +COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F VHT methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VHV n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC VHW methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) +CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC VHY (2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate +C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHZ (2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O VI 1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C VIA 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO VIB 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C VIF flopristin +CC[C@H](CCC(=O)O)N VIG 4-amino hexanoic acid +c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O VII 2,5-diphenylfuran-3,4-dicarboxylic acid +CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O VIN 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one +CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N VIO n5-(1-imino-3-butenyl)-l-ornithine +Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC VIQ 4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C VIR virginiamycin m1 +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl VIS 2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C VIT vitamin e +Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C VIV (2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol +CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O VJ1 2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose +CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ2 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile +CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC VJ4 2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose +C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ5 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile +C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C VJ6 valerjesomycin +CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VJA n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl VJE 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O VJG {(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C VJH 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide +c1ccc(cc1)Oc2cccc(c2)C(=O)O VJJ 3-phenoxybenzoic acid +CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3 VJK (2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O VJM 4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine +CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O VJN 8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one +c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O VJS {(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O VJV (1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C VJZ 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N VK1 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C VK2 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile +CC1=CC(=O)c2ccccc2C1=O VK3 menadione +C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl VK4 (4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid +Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C VK5 ~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O VK7 trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O VKA 3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +C(COCC(=O)O)O VKC (2-hydroxyethoxy)acetic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O VKD cobimetinib +c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O VKE [(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5 VKG n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+] VKH (1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6 VKJ 2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate) +c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O VKK p-coumaroyl glucose +Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F VKM 1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O VKN (1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N VKP 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC VKQ 5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide +C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N VKS (3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C VKT 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO VKV 2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol +Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3 VKW 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6 VL1 gedatolisib +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C VL2 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O VL4 (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3 VL5 (2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO VL7 1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2 VLA n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O VLB (2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VLD (2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 VLE 1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one +COc1cccc(c1)c2ccc(cc2)C(=O)O VLG 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid +C[C@H]([C@@H](C(=O)O)N)N VLL (2s)-2,3-diaminobutanoic acid +CC(C)[C@@H](C(=O)N)N VLM valinylamine +CCCCCCCCCCCCCCCC(=O)OC(CO)CO VLP 1,3-dihydroxypropan-2-yl hexadecanoate +C(C(=O)O)NC(CO)(CO)CO VLS n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine +c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O VLT (2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid +Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C VLV n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VLY 1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)OC(CO)CO VLZ 1,3-dihydroxypropan-2-yl dodecanoate +c1cc(sc1)c2cc(cnc2)C(=O)O VM1 5-(2-thienyl)nicotinic acid +C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO VM2 (1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VM4 6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O VM7 3-(3-methylsulfonylphenyl)benzoic acid +C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VMA 1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4 VMC 2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol +CC(C)[C@@H](C(=O)OC)N VME methyl l-valinate +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO VMG 5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO VMJ 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O VMM etx0462 (bound form) +c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O VMP n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide +CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VMS 5'o-[n-(l-valyl)sulphamoyl]adenosine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2 VMV n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N VMX 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine +Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O VMY (1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol +[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N VN1 4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide +O=[V-](=O)=O VN3 vanadate ion +[O-][V](=O)=O VN4 oxido(dioxo)vanadium +CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O VND (1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl VNF 4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl VNI n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CC(=O)c1ccccc1N VNJ 2-aminoacetophenone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O VNK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +COc1cc(ccc1O)C(=O)[O-] VNL 4-hydroxy-3-methoxybenzoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VNM (2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O VNP 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um +C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O VNR 1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6 VNS (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl VNT n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3 VNY para-biphenyl methylene c-linked mannoside +Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3 VO1 3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3 VO2 3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-] VO3 tetrametavanadate +[O-][V](=O)([O-])[O-] VO4 vanadate ion +CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC VO7 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +C=Cc1ccc(cc1)CS(=O)(=O)O VOD (4-vinylphenyl)methanesulfonic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO VOG (1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COc1ccc(cc1OC)CO VOH veratryl alcohol +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F VOJ 3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +CC(C)[C@@H](CO)N VOL l-valinol +C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N VOM 2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide +C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F VOP [6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid +C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O VOR voriconazole +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O VOV harderoheme (iii) +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5 VOY (2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide +CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O VP7 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol +[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O VPA 2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine +c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7 VPC phthalocyanine containing ga +COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O VPD 6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O VPF n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide +c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl VPG 6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F VPJ n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine +CC(C)[C@@](CC(=O)O)(C(=O)O)O VPM (2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O VPP (2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCC(CCC)C(=O)N VPR 2-propylpentanamide +c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O VPS 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid +CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O VPU [[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate +C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N VPV (2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C VPX ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O VPY s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO VQ1 n-acetylpuromycin +CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4 VQ7 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one +C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O VQA 10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F VQD (3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide +C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F VQG 3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide +Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C VQI (e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F VQJ 3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F VQP n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea +C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5 VQS n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O VQV 1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 VQY 9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate +CC(C)CO[P@@](=O)(C)O VR 2-methylpropyl hydrogen (r)-methylphosphonate +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC VR0 n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-] VR1 (2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide +C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I VR2 1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3 VR4 n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide +c1cc(c(cc1c2ccsc2)C(=O)O)O VR7 2-hydroxy-5-(thiophen-3-yl)benzoic acid +COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F VRA n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide +CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C VRB phycoviolobilin, blue light-absorbing form +CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N VRD ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC VRG n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid +CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F VRJ n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide +Cc1cc([nH]n1)c2cccnc2 VRM 3-(3-methyl-1h-pyrazol-5-yl)pyridine +COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O VRO 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O VRP myriocin +CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N VRT 2'-(l-norvalyl)amino-2'-deoxyadenosine +c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N VRV 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O VRX (2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid +c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VRZ 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea +c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VS0 n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4 VS1 3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS2 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS3 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4 VS4 3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N VS8 n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VSA 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSB 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VSC n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester +CCCCCCCCCCCCCCCC(=O)[C@H](CO)N VSD 3-dehydrosphinganine +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSE 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5 VSF 5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 VSG 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N VSH tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N VSI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide +Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C VSK (2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide +C=CS(=O)(=O)O VSO vinylsulphonic acid +CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N VSP n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3 VSV n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid +CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O VSY (3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol +c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O VT0 {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F VT1 (r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol +c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N VT2 (r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile +Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2 VT3 8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C VT4 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one +CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O VT5 (2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VT6 5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O VT7 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VT8 5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N VTA 4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile +C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O VTB 7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose +Cc1cc(n[nH]1)c2cccc(c2)Cl VTD 3-(3-chlorophenyl)-5-methyl-1h-pyrazole +Cc1ccc(cc1)CO VTG (4-methylphenyl)methanol +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3 VTI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C VTP (2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C VTQ rrr-alpha-tocopherylquinone +CC1=C[C@H](OC1=O)O VTY (5s)-5-hydroxy-3-methylfuran-2(5h)-one +c1cc(ccc1CN2CCCCC2)C(=O)O VU1 4-[(piperidin-1-yl)methyl]benzoic acid +c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl VU2 (2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine +c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 VU3 2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole +c1cc(ccc1CCN)C(=O)O VU4 4-(2-aminoethyl)benzoic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC VU7 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide +CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3 VUA 4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine +C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F VUD 6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4 VUG 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine +Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4 VUJ 5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one +c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O VUM 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCn1c2cc(ncc2nc1c3c(non3)N)C VUP 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N VUR (s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid +[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUS 3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O VUV 3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUY 3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VV1 3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O VV4 3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O VV6 [[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium +c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO VV7 dendron-d3 +CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN VVA 2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate +CC(=O)Nc1ccc(c(c1)C(=O)O)F VVD 5-(acetylamino)-2-fluorobenzoic acid +CCS(=O)(=O)Nc1ccccc1F VVG n-(2-fluorophenyl)ethanesulfonamide +CN(C1CCCCCC1)S(=O)(=O)C VVJ n-cycloheptyl-n-methylmethanesulfonamide +c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N VVM 4-amino-n-phenylbenzene-1-sulfonamide +O=[V+2] VVO oxovanadium(2+) +COc1cccc2c1cc[nH]2 VVP 4-methoxy-1h-indole +Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl VVQ 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide +CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3 VVS 2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol +c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3 VVT 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine +CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC VVV 5,6,8-trimethoxy-4-methylquinolin-2(1h)-one +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6 VVX 6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole +c1ccc(cc1)OCC(=O)N2CCCC2 VVY 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one +C[C@@H](C(=O)N)Oc1ccc(cc1)C#N VW1 (2s)-2-(4-cyanophenoxy)propanamide +C[C@H](CS(=O)(=O)N)c1ccccc1 VW4 (2s)-2-phenylpropane-1-sulfonamide +Cc1ccc(c2c1NCCC2)NC(=O)C VW7 n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide +C[C@@H](c1ccc(cc1)F)NC VWA (1s)-1-(4-fluorophenyl)-n-methylethan-1-amine +CS(=O)(=O)C[C@@H](c1ccccc1)O VWD (1r)-2-(methylsulfonyl)-1-phenylethan-1-ol +c1ccc2c(c1)ccc(n2)C(=O)NO VWG n-hydroxyquinoline-2-carboxamide +CC(C)Nc1[nH]c2ccccc2n1 VWJ n-(propan-2-yl)-1h-benzimidazol-2-amine +CC(=O)N1CCC[C@@](C1)(C(=O)O)O VWM (3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid +Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4 VWN 2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3 VWP n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide +Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O VWS 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid +CCOC(=O)CN1CCS(=O)(=O)CC1 VWV ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate +c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N VWW l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide +CCNC(=O)c1ccc(cc1)NS(=O)(=O)C VWY n-ethyl-4-[(methylsulfonyl)amino]benzamide +CCO[P@](=O)(C)O VX o-ethylmethylphosphonic acid ester group +c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl VX1 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine +c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4 VX2 n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine +c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O VX3 2,3-diphenyl-1h-indole-7-carboxylic acid +C[C@H]1CCCN(CC1)C(=O)c2cscn2 VX4 [(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C VX6 cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide +CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C VX7 n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F VX8 lumacaftor +C[P@H](=O)[O-] VXA methylphosphonic acid ester group +Cc1c(cccc1Cl)NC(=O)CN VXD n-(3-chloro-2-methylphenyl)glycinamide +CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2 VXG (3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid +c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F VXJ n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC VXL (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O VXM 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4 VXO 5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXP 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc2c(cc1CN)CCO2 VXQ 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4 VXR (5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one +c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O VXS 4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(c2c(c1)OCCCO2)CN VXU 3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine +c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXV 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +COc1cc(ccc1O)C(=O)OC VXX methyl vanillate +c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F VXY 2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate +CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY1 (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide +C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY4 tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate +c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3 VY7 1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid +CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N VYA 2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl VYD (3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYE (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYF (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F VYG 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F VYI n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C VYJ 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 VYM (7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone +c1cnc(nc1c2cnc(nc2)N)N3CCOCC3 VYP 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine +CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O VYR n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide +c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYV 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide +Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYY 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C VZ1 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C VZ4 (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C VZ5 (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate +CC(C)(COC(=O)O)c1cccc(c1)Cl VZ7 2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate +c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F VZD 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C VZG 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4 VZJ 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +COc1ccc(cn1)NC(=O)Nc2cccs2 VZM n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea +CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 VZP n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea +Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC VZS n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea +CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C VZV 1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide +Cc1cccc(c1)C(=O)NCC(=O)O VZY n-(3-methylbenzene-1-carbonyl)glycine +C(CCCCCOC(=O)S)CCCCC(=O)O VZZ 11-[(mercaptocarbonyl)oxy]undecanoic acid +[W+6] W tungsten ion +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C W01 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C W02 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C W03 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol +Cc1ccnc(c1)NC(=O)CNC W04 n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide +C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N W05 delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F W06 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid +CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O W07 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W09 n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan +CCCC(=O)NCc1[nH]c2ccccc2n1 W0A n-[(1h-benzimidazol-2-yl)methyl]butanamide +c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 W0D n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide +CN[C@@H]1CCN(C1=O)c2ccccc2F W0G (3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one +CCCCCCc1cc(c(cc1F)Oc2ccccc2)O W0I 4-fluoro-5-hexyl-2-phenoxyphenol +CN[C@@H]1CCCN(C1)c2cccnn2 W0J (3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine +C[C@H](C(=O)N)Oc1ccc(cc1)Cl W0M (2r)-2-(4-chlorophenoxy)propanamide +C[C@H](C(=O)O)Oc1ccccc1F W0P (2r)-2-(2-fluorophenoxy)propanoic acid +COc1cc(cc(c1OC)OC)CN W0S 1-(3,4,5-trimethoxyphenyl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W0T (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid +CC(C)C(=O)NCc1[nH]c2ccccc2n1 W0V n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide +CNC(=O)c1ccc(cc1)S(=O)(=O)N W0Y n-methyl-4-sulfamoylbenzamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W10 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F W11 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole +CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O W12 (2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol +c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl W13 (5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one +c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol +C(CCl)c1nnc(s1)N W16 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine +c1c(cn(n1)CCO)C(=O)N W17 1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide +c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO W19 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +CS(=O)(=O)NCC1CCNCC1 W1A n-[(piperidin-4-yl)methyl]methanesulfonamide +CC(=O)c1ccc(cc1)OCC(=O)O W1D (4-acetylphenoxy)acetic acid +C=CCc1ccc(c(c1)O)Oc2ccccc2 W1G 2-phenoxy-5-(2-propenyl)phenol +CCCn1nc(nn1)NC(=O)c2ccco2 W1J n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide +Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O W1M 3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid +CC1=NN(C(=O)C1)c2ccccc2 W1P 5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one +c1cn2c(n1)[C@H](CCC2)C(=O)N W1S (8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)N W1V 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +CNCc1cnn(c1)c2ccccc2 W1Y n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W1Z (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid +C[C@@H](C(=O)O)NC(=O)C1CCCC1 W21 n-(cyclopentanecarbonyl)-l-alanine +CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O W22 [(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid +c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC W24 (2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide +CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2 W27 1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one +CCc1ccsc1c2ccc(c(c2)O)O W29 4-(3-ethylthiophen-2-yl)benzene-1,2-diol +C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N W2A (2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O W2C (2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2 W2D 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide +COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 W2E methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate +c1cscc1[C@H]2CCC[C@H]2C(=O)O W2G (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid +C[C@@H]1C[C@H](CNC1)CO W2J [(3r,5r)-5-methylpiperidin-3-yl]methanol +CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4 W2K 4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide +c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2 W2M (2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one +CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F W2P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide +c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5 W2R 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea +Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O W2S (3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid +COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O W2V (3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid +C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N W2X n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N W2Y (2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC W30 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl W31 (1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate +CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1 W32 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3 W33 5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cccc(c1)[C@@H]2CCOC[C@@H]2N W34 (3r,4s)-4-(3-methoxyphenyl)oxan-3-amine +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3 W35 5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C W37 n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +c1c(cn(n1)CC(=O)O)Br W3A (4-bromo-1h-pyrazol-1-yl)acetic acid +C1=CN(C(=O)C=C1Br)CC(=O)O W3D (4-bromo-2-oxopyridin-1(2h)-yl)acetic acid +C1=CC(=O)NN=C1 W3G pyridazin-3(2h)-one +C1CNC(=NC1)N W3J 1,4,5,6-tetrahydropyrimidin-2-amine +c1c([nH]cn1)C#N W3M 1h-imidazole-5-carbonitrile +c1cc2cccnc2nc1 W3P 1,8-naphthyridine +c1ccn2c(c1)nnc2N W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine +C1CN(CCC1C(=O)O)C(=O)N W3V 1-carbamoylpiperidine-4-carboxylic acid +C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl W3Y (5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione +c1cc(nn2c1nnn2)Cl W41 6-chlorotetrazolo[1,5-b]pyridazine +c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3 W42 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole +Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C W43 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O W44 (2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS W45 n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide +Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F W47 1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine +Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F W4A 5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide +c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4 W4D 3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4 W4G 3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F W4J (1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O W4M (hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol +c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O W4N (1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W4P n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cn1ccc2c1ncnc2N W4S 7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1nc2nc3c(c(n2n1)N)CCC3 W4V 6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine +CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S W4Y 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N W51 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine +Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W54 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W56 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cc(on1)Cn2cnc(c-3ncnc23)N W57 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine +CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C W59 5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cc1nc(cs1)Cn2cnc(c-3ncnc23)N W5A 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine +c1c[nH]c2c1c(ncn2)N3CCCCCOCC3 W5D 4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4 W5G 4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine +CN(CCC(=O)O)c1c2cc[nH]c2ncn1 W5J n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine +Cn1cnc2c1nc(nc2N)N W5M 9-methyl-9h-purine-2,6-diamine +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F W5P 4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C W5S 7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O W5V 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N W5Y 5'-o-(l-phenylalanylsulfamoyl)adenosine +c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W61 1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C W64 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC W66 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C W67 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC W68 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C W69 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl W6A 4-chloro-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)C(=O)N W6D 1h-indole-4-carboxamide +c1ccc(cc1)S(=O)(=O)Nc2nncs2 W6G n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide +c1ccnc(c1)N2CCCNCC2 W6J 1-(pyridin-2-yl)-1,4-diazepane +Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O W6M 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid +c1ccc2c(c1)CC(=O)N2 W6P 1,3-dihydro-2h-indol-2-one +Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C W6Q (2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide +c1c[nH]nc1C2CCNCC2 W6S 4-(1h-pyrazol-3-yl)piperidine +c1ccc(cc1)C(=O)Nc2nccs2 W6V n-(1,3-thiazol-2-yl)benzamide +CC(=O)C(F)(F)F W6X 1,1,1-tris(fluoranyl)propan-2-one +c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O W6Y 5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C(F)(F)F)(O)O W6Z 1,1,1-tris(fluoranyl)propane-2,2-diol +c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W70 2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3 W71 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O W72 6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid +c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O W73 2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F W74 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O W75 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W76 5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl W77 2,4-dichloro-n-(pyridin-3-yl)benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC W79 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7A 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7B 5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7C 5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7D 5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O W7E 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid +COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7F 5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O W7G 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7H 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W7I 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W7J 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O W7K 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7L 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7M 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO W7N 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O W7O 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O W7P 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7Q 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)CNC(=O)c2cnccn2 W7S n-benzylpyrazine-2-carboxamide +CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3 W7V (1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide +c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4 W7Y 4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC W80 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-] W81 (5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC W82 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine +COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W83 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W84 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W85 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O W86 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O W87 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W88 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O W8A {[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid +c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N W8D 3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine +c1c[nH]c2c1c(nc(n2)N)N3CCSCC3 W8G 4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N W8J 3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl W8L 3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one +COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C W8M 2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate +CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W8P n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C W8R 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8S (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone +Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8V (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br W8X {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O W8Y (5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone +COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W8Z 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W91 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole +c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W94 [(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone +CCC(CC)n1c2c(ncc(n2)C#C)nc1O W97 6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol +C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C W99 [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone +CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O W9A (1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C W9D 5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one +COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O W9G (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol +CSCC[C@@H](C(=O)O)NC(=O)N W9J n-carbamoyl-l-methionine +CCNC(=O)Nc1cccc2c1cccc2 W9L 1-ethyl-3-naphthalen-1-ylurea +CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl W9M 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea +c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9P (1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N W9S (1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O W9T 4-o-beta-d-galactopyranosyl-beta-d-fructofuranose +c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9V (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol +c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9Y (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C W9Z 6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline +c1ccc(cc1)NC(=O)Nc2cnns2 WA1 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea +C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO WA2 (2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol +c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O WA3 (2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol +[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O WA5 4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WA7 (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C WAA (2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid +CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O WAC n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide +CCCCCCCC[C@H](CCCCCCCCC(=O)O)O WAD (10r)-10-hydroxyoctadecanoic acid +Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN WAI 4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine +C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N WAM 2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N WAN 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N WAQ pimeloyl-amp +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAS 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAV (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol +Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO WAY n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide +Cc1ccc2c(c1)[nH]cc2C(=O)O WB1 6-methyl-1h-indole-3-carboxylic acid +CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5 WB4 n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3 WB7 1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5 WBA n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +c1cc2c(cc1Cl)nc([nH]2)Cl WBD 2,5-dichloro-1h-benzimidazole +COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6 WBG 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4 WBI n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O WBJ (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5 WBM 2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1ccc(c(c1)c2cccc(c2O)O)O WBP 3-(2-hydroxyphenyl)benzene-1,2-diol +c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6 WBS 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5 WBT 3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide +C1=C(C(=O)NC(=O)N1)N WBU 5-amino-1h-pyrimidine-2,4-dione +Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C WBV (2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid +Cc1nc2c(s1)C(=O)N(C(=O)N2)O WBY 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione +C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C WC1 (2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid) +COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O WC4 (1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol +c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O WC7 6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O WCA p-coumaroyl-coa +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 WCC fe(3)-ni(1)-s(4) cluster +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O WCD (2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +c1cc(cc(c1)Cl)C(=O)N WCE 3-chloro-benzamide +COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O WCG (1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol +C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N WCM (2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name) +O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WCO co-substituted alpha-keggin +c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2 WCP (4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one +c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O WCR [(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid +CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3 WCS 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine +c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3 WCU ~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine +C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4 WCV cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C WCX 4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3 WCY n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide +C1C[C@@H](C[C@H](C1)F)CNCC(O)O WD1 2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol +CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C WD7 n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide +CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C WDA 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C WDD 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione +CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C WDG 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid +CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C WDJ 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1(nc(nc(n1)O)O)O WDL 1,3,5-triazine-2,4,6-triol +CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C WDM 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one +C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C WDP sequanamycin 9 +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO WDR (4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one +CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4 WDS 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-] WDT 2-nitro-5-(phenylsulfonyl)phenol +c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl WDU 4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide +c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F WDV 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3 WDW 3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO WDX [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4 WDY n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide +CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3 WE0 (3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 WE1 4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide +c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O WE4 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid +Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N WE7 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O WEF n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine +c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4 WEG 2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C WEJ 4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide +CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C WEM methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O WEP n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC WES (2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate +C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C WEV (5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose +C(COCCOCC(=O)NCCOCCOCC(=O)O)N WF1 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid +Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F WF3 methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O WF4 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C WF7 n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide +CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3 WF8 5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O WFA 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C WFD 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one +CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N WFE n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide +c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2 WFF 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 WFG 6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O WFJ 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid +c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O WFM (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(cc1F)F)C[C@@H](C(=O)O)N WFP 3,5-difluoro-l-phenylalanine +Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O WFS (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O WFV (1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol +Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F WFY 4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O WG1 6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C WG4 n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O WG7 (3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid +c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O WG8 (4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CN(C[C@H]1O)c2c(cccn2)F)C WGA (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F WGD 1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine +COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2 WGG n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide +CC1(CN(C[C@@H]1O)c2c(cccn2)F)C WGM (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +CN(C)C(=O)CNc1ccccc1 WGP n,n-dimethyl-n~2~-phenylglycinamide +c1cc(c(nc1)NCC2CCOCC2)F WGS 3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine +CCOC(=O)c1c(csc1N)c2cccs2 WGT ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate +c1ccc(cc1)C#CCN2CCCCC2 WGV 1-(3-phenylprop-2-yn-1-yl)piperidine +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 WGX ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)S(=O)(=O)N WGY n-(4-sulfamoylphenyl)propanamide +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C WGZ 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +CN(CCc1ccccn1)C(=O)c2ccccc2 WH1 n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide +CC(C)Nc1cccnc1 WH4 n-(propan-2-yl)pyridin-3-amine +c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O WH6 2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +C[C@@H](CNCc1c(cccc1Cl)Cl)O WH7 (2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N WHA 4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide +c1cc(ccc1CNCc2ccc(cc2)F)C#N WHD 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile +c1cc(sc1)C(=O)CCc2nnc(s2)N WHF 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one +c1conc1CN2CCNCC2 WHG 1-[(1,2-oxazol-3-yl)methyl]piperazine +COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F WHH 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O WHJ carmoterol +c1cc(cc(c1)F)CN2CCCS2(=O)=O WHM 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione +C[C@H](c1ccccc1Cl)NS(=O)(=O)C WHP n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide +Cc1csc(n1)NC[C@H]2CCCO2 WHS 4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br WHU 2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide +Cc1c(sc(n1)C)[C@@H](C)NC WHV (1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine +CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O WHW 9s,13r-12-oxophytodienoic acid +CN(C)Cc1ccc(cc1)C#N WHY 4-[(dimethylamino)methyl]benzonitrile +COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N WI2 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl WI4 n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine +Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6 WI5 {(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O WIA methyl 6-thio-beta-d-galactopyranoside +CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O WIN methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate +c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 (s)-2-chloro-3-phenylpropanoic acid +c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 (2r)-2-chloro-3-phenylpropanoic acid +C1COCCN1Cc2c(snn2)Cl WJ4 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine +CN(C)C(=O)c1ccc(cc1Br)F WJ7 2-bromo-4-fluoro-n,n-dimethylbenzamide +Cc1cc(no1)CS(=O)(=O)NC WJA n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide +COCC(=O)Nc1ccccc1 WJD 2-methoxy-n-phenylacetamide +COc1ccc(cc1)[C@@H](c2ccccc2)N WJG (s)-1-(4-methoxyphenyl)-1-phenylmethanamine +C[C@@H](Cc1ccc(cc1)Br)C(=O)N WJJ (2r)-3-(4-bromophenyl)-2-methylpropanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N WJM 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC WJP methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate +[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O WJS (2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid +Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2 WJV n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea +C[C@@H](C(=O)NCC(=O)O)S WJZ tiopronin +C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C WK1 (2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid +CN(C)C(=O)OCCn1ccnc1 WK4 2-(1h-imidazol-1-yl)ethyl dimethylcarbamate +c1cc(c(cc1C#N)F)N2CCNCC2 WK7 3-fluoro-4-(piperazin-1-yl)benzonitrile +CC(=O)Nc1cccc2c1non2 WKA n-(2,1,3-benzoxadiazol-4-yl)acetamide +C[C@H](C(=O)N)Oc1ccc(cc1)C#N WKD (2r)-2-(4-cyanophenoxy)propanamide +CC(=O)N1CCCC2(C1)CCCCCC2 WKG 1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one +c1cc(ccc1CN2CC[C@H](C2)O)Cl WKJ (3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol +CC(C)[C@@H](C(=O)N1CCOCC1)N WKM (2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one +COc1ccc(cc1)C(=O)C2CCNCC2 WKP (4-methoxyphenyl)(piperidin-4-yl)methanone +Cc1cc(nc(n1)C)N2CCNCC2 WKS 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine +CC(=O)NCc1cc(ccc1OC)Br WKV n-[(5-bromo-2-methoxyphenyl)methyl]acetamide +Cc1cnccc1NC(=O)C WKY n-(3-methylpyridin-4-yl)acetamide +COC(=O)c1ccc(cc1)S WL1 methyl 4-sulfanylbenzoate +c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O WL3 2-(4-fluorophenyl)carbonylbenzoic acid +CC(C)C(=O)Nc1cccc(c1)C#N WL4 n-(3-cyanophenyl)-2-methylpropanamide +CN(CCO)S(=O)(=O)c1ccc(cc1)N WL7 4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide +C1COCCC1CN2CCNCC2 WLA 1-[(oxan-4-yl)methyl]piperazine +C[C@@H](CNCc1c(cccc1Cl)Cl)O WLD (2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +C1CC2(CC2)CN(C1)C(=O)COC(F)F WLG 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one +CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 WLH 2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F WLJ (azepan-1-yl)(2,6-difluorophenyl)methanone +COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2 WLL n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl WLM 5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide +c1ccc(c(c1)S)Cl WLP 2-chlorobenzene-1-thiol +c1cc(sc1)CNCc2ccncc2 WLS 1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine +C[C@H](C[C@@H](C(=O)O)NC)CO WLU (4r)-5-hydroxy-n-methyl-l-leucine +c1ccc(cc1)OCC(=O)Nc2cccc(c2)F WLV n-(3-fluorophenyl)-2-phenoxyacetamide +Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2 WLY 2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide +c1ccnc(c1)C(=O)N WM1 pyridine-2-carboxamide +C1CCC(CC1)C(=O)N WM2 cyclohexanecarboxamide +c1ccc(cc1)S(=O)(=O)NN WM3 benzenesulfonohydrazide +c1ccc(cc1)C(=O)NN WM4 benzohydrazide +c1ccc(cc1)CN[C@H]2CCNC2 WM7 (3s)-n-benzylpyrrolidin-3-amine +C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl WM9 (2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine +CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 WMA (3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C[C@H](c1ccccc1F)N2CCNCC2 WMD 1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine +C[C@@H](c1ccccc1F)N2CCNCC2 WMG 1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine +Cn1ccnn1 WMH 1-methyl-1h-1,2,3-triazole +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O WMJ 1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea +c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 WMM n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine +[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O WMP [(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C WMR 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine +Cc1ncc(s1)CNc2cc(cnc2)F WMS 5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine +Cc1c(c(on1)C)C(=O)NCCC2CCCCC2 WMV n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide +c1cc(cc(c1)Cl)C(=O)Nc2ccon2 WMY 3-chloro-n-(1,2-oxazol-3-yl)benzamide +COc1cccc(c1)C(=O)Nc2ccccc2F WN1 n-(2-fluorophenyl)-3-methoxybenzamide +Cc1cccc(n1)NC(=O)[C@@H]2CCCN2 WN4 n-(6-methylpyridin-2-yl)-l-prolinamide +C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O WN6 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1cc(cnc1)NCc2ccncc2 WN7 5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine +Cc1ccccc1CNc2nnnn2C WNA 1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine +CC(C)(CNC1CCOCC1)O WND 2-methyl-1-[(oxan-4-yl)amino]propan-2-ol +c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2 WNG n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine +O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WNI ni-substituted alpha-keggin +c1ccnc(c1)NC[C@@H]2CCNC2 WNJ n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine +c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N WNM (3s)-1-(phenylsulfonyl)pyrrolidin-3-amine +c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4 WNN 4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide +c1cc(cc(c1)Cl)NC(=O)C(F)(F)F WNP n-(3-chlorophenyl)-2,2,2-trifluoroacetamide +CCCC(=O)Nc1cccnc1Cl WNS n-(2-chloropyridin-3-yl)butanamide +Cc1cccc(c1C)C(=O)N(C)C WNV n,n,2,3-tetramethylbenzamide +CC(=O)N1CCN(CC1)c2ccc(cc2)Cl WNY 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one +CN1CCC[C@H](C1)OC(=O)c2ccco2 WO1 (3r)-1-methylpiperidin-3-yl furan-2-carboxylate +[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] WO2 octadecatungstenyl diphosphate +O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O WO3 tri-tungsten(vi) oxide complex +[O-][W](=O)(=O)[O-] WO4 tungstate(vi)ion +O[W](O)(O)(O)O WO5 tungstate(vi) ion +[O-][W](=O)([O-])[O-] WO6 trioxido(oxo)tungsten +CC(=O)N1CCCNCC1 WO7 1-(1,4-diazepan-1-yl)ethan-1-one +CN[C@H]1CCCN(C1=O)c2ccccc2 WOA (3s)-3-(methylamino)-1-phenylpiperidin-2-one +CC(C)(CC(=O)O)C(=O)O WOC 2,2-dimethylbutanedioic acid +C1CNC[C@@H]1c2nc(no2)C3CC3 WOD 3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole +COc1ccccc1c2cc(nc(n2)N)Cl WOE 4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine +CCCC/C(=C/COP(=O)(O)O)/C WOG (2e)-3-methylhept-2-en-1-yl dihydrogen phosphate +C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C WOJ (3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine +c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N WOM picloram +C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O WOO beta-l-allopyranose +CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4 WOP 5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3 WOS 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)[NH3+] WOT phenylazanium +Cc1ccc(n1c2ccc(cc2C(=O)O)O)C WOV 2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid +Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C WOW 2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile +c1c2c(ncn1)NCC2 WOY 6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine +CC1(Cc2cccc(c2O1)C(=O)N)C WP1 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CN[C@@H]2CCNC2 WP4 (3r)-n-benzylpyrrolidin-3-amine +CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br WP5 methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate +CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl WP6 (4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline +CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl WP7 (4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline +CO[C@H](c1ccccc1)[C@@H](C(=O)O)N WPA (betar)-beta-methoxy-l-phenylalanine +c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1 WPC [29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O WPD (2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl WPE n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide +Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl WPF 3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N WPG (3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid +CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5 WPH 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC WPI 1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O WPJ (2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O WPL (1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C WPM n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O WPP piperacillin +Cc1c(c([nH]n1)N)C#N WPS 5-amino-3-methyl-1h-pyrazole-4-carbonitrile +c1c(cncc1Br)CN WPV 1-(5-bromopyridin-3-yl)methanamine +CC(=O)Nc1nccs1 WPY n-(1,3-thiazol-2-yl)acetamide +Cc1ccncc1CO WQ1 (4-methylpyridin-3-yl)methanol +Cc1nc(c(o1)N)C#N WQ4 5-amino-2-methyl-1,3-oxazole-4-carbonitrile +C1=CC(=O)N(C=C1)CCN WQ7 1-(2-aminoethyl)pyridin-2(1h)-one +c1c2c[nH]nc2ncc1N WQA 2h-pyrazolo[3,4-b]pyridin-5-amine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O WQD udp-4-deoxy-4-formamido-beta-l-arabinopyranose +c1ccc2c(c1)C(=O)NC=N2 WQG quinazolin-4(3h)-one +c1c(cnc2c1COCC2)N WQJ 7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine +CNC(=O)C1C=CC(=O)N=C1 WQM (3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O WQP 5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid +Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C WQQ 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O WQS 2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid +CC(=O)NC1=CC(=CNC1=O)Br WQV n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide +c1ccc2c(c1)cc(cn2)CN WQY 1-(quinolin-3-yl)methanamine +C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 WR1 nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide +CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C WR2 (2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide +Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-] WR7 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate +CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C WRA 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine +CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C WRB 1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine +c1cc2c(c(c1)O)CCC[C@H]2N WRD (5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC WRG (2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid +c1ccc2c(c1)C=C(CO2)C(=O)N WRJ 2h-1-benzopyran-3-carboxamide +CNC(=O)Cn1cnc2c1cccc2 WRM 2-(1h-benzimidazol-1-yl)-n-methylacetamide +c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O WRO 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O WRP (betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRR 4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRS 4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO WRV n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea +Cc1c(cc2ccc(cc2n1)F)C(=O)NC WRY 7-fluoro-n,2-dimethylquinoline-3-carboxamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O WS1 6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS2 6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS3 5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine +Cn1cc(cn1)C(=O)Nc2ccc(cc2)O WS4 n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide +CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N WS6 (9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione +CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N WS7 (9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N WSA 5'-o-[(l-tryptophylamino)sulfonyl]adenosine +CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N WSD 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one +CCn1cc(cn1)NC(=O)c2ccc(cc2)F WSG n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide +Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5 WSH benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate +CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C WSJ n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide +CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O WSK (2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol +c1ccc2c(c1)N(C(=O)CO2)CCCN WSM 4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one +O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9 WSQ octamolybdate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC WSS tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O WST (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol +Cc1nc(n(n1)CCC(=O)O)C WSY 3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid +C(C[C@@H](C(=O)O)N)CNC(=N)C=O WT2 (s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N WT4 n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine +CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WT7 5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine +CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WTA 5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2 WTC 6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O WTD 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F WTF [2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O WTG 2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N WTI 4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide +CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3 WTJ 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O WTM 2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl WTP 5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine +C[C@H]([C@](C)(C(=O)O)O)O WTZ (2r,3r)-2,3-dihydroxy-2-methylbutanoic acid +Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC WU1 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine +C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O WU4 (6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one +CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O WU7 (4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O WUA (4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium +c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O WUB (1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid +Cc1c([nH]c(n1)C)CN WUG 1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine +c1cc(oc1)CNC(=O)N WUJ n-[(furan-2-yl)methyl]urea +c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O WUL 8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +CN(C)Cc1csc(n1)N WUM 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl WUN 2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1 WUP 5,15-diphenylporphyrin containing fe +Cc1[nH]c2c(n1)C[C@@H](CC2)N WUS (5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O WUV 5'-thiothymidine +c1ccc(cc1)NC(=O)NCCN WUY n-(2-aminoethyl)-n'-phenylurea +C[C@H](c1ccc(cc1)NC(=O)C2CC2)N WV1 n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide +CCNc1ccc(cc1F)S(=O)(=O)C WV4 n-ethyl-2-fluoro-4-(methylsulfonyl)aniline +c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol +c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F WVA 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one +Cc1c(scn1)C(=O)N2CCNC(=O)C2 WVD 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F WVH 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1c(c([nH]n1)N)c2cccs2 WVI 3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine +C[C@H](C=C(C)C)[C@@H](C(=O)O)N WVL (2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid +C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1 WVP 5,15-bisethynyl-10,20-diphenylporphyrin containing fe +c1ccc(c(c1)c2cccc(c2)C(=O)O)F WVV 3-(2-fluorophenyl)benzoic acid +C[P@](=O)(OC1CCCCC1)F WW2 cyclohexyl (s)-methylphosphonofluoridoate +c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N WW3 4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN WW7 n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide +C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6 WW8 n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O WWF c2-1-hydroxy-3-methyl-butyl-thiamin +c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N WWL 5-(phenylsulfonyl)thiophene-2-sulfonamide +c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N WWV 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide +c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWX 2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F WWZ 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3 WX5 (2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O WXM 2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1 WXP 5,10,15-triphenylporphyrin cpntaining fe +CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C WXV n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl WY1 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid +c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O WY2 (6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid +c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3 WY3 7-hydroxy-4-(morpholinomethyl)chromen-2-one +c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O WY4 7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid +Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C WY5 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C WYD ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide +Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYE (2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one +COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYF (2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one +C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1 WYP 5-ethynyl-10,20-diphenylporphyrin containing fe +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C WYQ propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O WYV myristoyl coenzyme a +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O WZ1 methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O WZ2 methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O WZ4 methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside +CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C WZ6 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid +c1cnc(cc1C(=O)N)NC2CC=CC2 WZ7 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC WZA (9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C WZB (9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC WZC (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate +c1ccc2c(c1)[nH]c(n2)NCc3ccco3 WZD n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O WZG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CC[C@@H](C)[C@@H](C(=O)O)NC WZJ n-methyl-l-alloisoleucine +CN(c1ccc(nn1)C(=O)N)C2CCC2 WZM 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC WZO [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate +CC(C)C(=O)N1CCN(CC1)C(C)C WZP 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one +CC(=O)N1CCC(CC1)NCCc2ccccc2 WZS 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one +c1ccc(cc1)COP(=O)(O)O WZT (phenylmethyl) dihydrogen phosphate +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F WZV 5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide +COc1ccc(cc1)NC(=O)CN WZY n-(4-methoxyphenyl)glycinamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O X 2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate +C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN X00 {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +c1cc(c(cc1C#N)c2ncnc(n2)N)O X01 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile +C=CCNc1nc(c(s1)C(=O)c2ccccc2)N X02 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone +CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 X03 (5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O X04 (2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N X05 amino-castanospermine +c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O X06 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X07 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN X09 amino-australine +c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl X0A 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O X0B 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O X0D (r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid +C1CC1c2nc(on2)CN3CCOCC3 X0G 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6 X0J 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CC(=O)N[C@H]1Cc2ccccc2NC1 X0M n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC X0P 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid +c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N X0Q 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O X0R (r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid +CNS(=O)(=O)c1ccccc1Cl X0S 2-chloro-n-methylbenzene-1-sulfonamide +CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C X0T 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1c2c(cc3c1OCCO3)sc(n2)N X0U 6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine +c1cc(c(cc1C(F)(F)F)N)N X0V 4-(trifluoromethyl)benzene-1,2-diamine +Cc1nc2cc(c(cc2s1)OC)OC X0W 5,6-dimethoxy-2-methyl-1,3-benzothiazole +[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O X0X beta-d-talopyranuronic acid +CN1c2c[nH]cc2C(=O)N(C1=O)C X0Y 1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione +c1ccc(c(c1)c2nc(nc(n2)N)N)O X11 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N X12 2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid +C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C X13 n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium +CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1 X14 (5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O X15 1,3-bisphosphoglyceric acid +Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N X16 n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4 X17 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1 X19 (5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C X1A n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C X1E (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)CC(=O)NCc1ccc2c(c1)OCO2 X1G n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide +COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O X1H [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone +CC(=O)N1Cc2ccc(cc2C1)N X1J 1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one +CNCc1cccc(n1)OC X1M 1-(6-methoxypyridin-2-yl)-n-methylmethanamine +Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 X1N 2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O X1P 1-o-phosphono-alpha-d-xylopyranose +CCCS(=O)(=O)CCC(=O)O X1R 3-(propylsulfonyl)propanoic acid +C(CS(=O)(=O)O)C(=O)O X1S 3-sulfopropanoic acid +[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O X1X alpha-d-talopyranuronic acid +C1CCC(CC1)N2CC[C@H](N[C@H]2O)O X1Y (2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C X20 tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C X21 tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N X22 (3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N X23 (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN X24 tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate +Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5 X25 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine +CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C X26 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C X27 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N X28 3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid +c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl X29 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol +c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN X2A (6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide +Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C X2C 4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl X2D 6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F X2E 6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O X2F 2-deoxy-2-fluoro-alpha-d-xylopyranose +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N X2G 4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N X2J 4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C X2K (3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N X2L (3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C X2M (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F X2N posaconazole +CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N X2O (2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid +C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O X2P (1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N X2S 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N X2V 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O X2W n-acetyl-l-glutamyl 5-phosphate +CC(=O)[C@@](C)(C(=O)O)O X2X (2s)-2-hydroxy-2-methyl-3-oxobutanoic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O X2Y 2,4-di-o-sulfo-alpha-l-fucopyranose +CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C X30 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O X32 n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N X33 carborane inhibitor +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O X34 4-o-sulfo-alpha-l-fucopyranose +C=CCNc1nc(c(s1)C(=O)c2cccnc2)N X35 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N X36 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone +CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+] X37 4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl X39 4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N X3A [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X3G 4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate +CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O X3H pironetin +C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N X3J (2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid +CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O X3M (2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C X3P [(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate +Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F X3S 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl X3V 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O X3X bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate +c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F X3Y 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X40 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-] X41 1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate +c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X42 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X43 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N X44 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4 X45 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N X46 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4 X47 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +c1ccc(cc1)C2=NC(=O)C(=CC2)O X48 3-hydroxy-6-phenylpyridin-2(5h)-one +C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O X4A [(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl X4B 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C X4C 8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5 X4D 7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine +Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X4G (3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol +c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X4M (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1cnc(cc1C(=O)N)Cl X4P 2-chloropyridine-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O X4S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anose +CN(C)c1ccnc(c1)N X4V n~4~,n~4~-dimethylpyridine-2,4-diamine +C1CCC(CC1)[C@@H]2C[C@@H](ON2)N X4Y (3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine +Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3 X4Z (3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CC(NCCCCN)(O)O X51 1-[(4-aminobutyl)amino]ethane-1,1-diol +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N X52 n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide +CC(NCCCCNCCCN)(O)O X54 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol +COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3 X55 (2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one +CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N X57 (2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid +CC(=O)NCCCCN X5A n-(4-aminobutyl)acetamide +c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O X5D (2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C X5G 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol +c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X5J (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C X5M (4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O X5S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anosyl-(1->4)-4-thio-beta-d-xylopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X5Y tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N X62 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N X63 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide +c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-] X64 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N X65 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide +c1cc(c(cc1O)c2nc(nc(n2)N)N)O X66 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol +c1cc(c(cc1F)c2nc(nc(n2)N)N)O X67 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol +COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X69 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N X6A 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide +c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X6B 4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O X6C (2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl X6D 6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine +Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C X6G 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6J tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5 X6K 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol +c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N X6L 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O X6M n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide +Cn1cccc1c2cccc(c2)C(=O)O X6P 3-(1-methylpyrrol-2-yl)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6S tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6V tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CNCc1cc(nn1C)c2ccccc2 X6W methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O X6X 2-amino-2-deoxy-alpha-d-galactopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O X6Y 2-o-sulfo-alpha-l-fucopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X71 tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N X72 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl X73 2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X74 tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl X75 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +c1ccc(c(c1)C(=O)N)NCc2cccnc2 X76 2-[(pyridin-3-ylmethyl)amino]benzamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4 X77 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O X7A [(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X7D tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O X7E (4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O X7G 1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7J tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7M tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N X7O 5-amino-3-methyl-pyrrolidine-2-carboxylic acid +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7P tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5 X7V n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C X7Y 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC X81 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO X84 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3 X85 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X86 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN X87 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2 X88 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide +c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl X89 1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O X8A [(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC1=CC2=NNC(=O)N2c3c1cccc3 X8D 5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4 X8E 5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O X8G 1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O X8I 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C X8J 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C X8M ipratropium +CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8P (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8S (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O X8U 2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid +[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N X8V 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide +c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O X8W (2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O X8Y (1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O X8Z l-captopril +CCCCCCCCCCCCCCCCC(=O)O X90 heptadecanoic acid +C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O X92 ramiprilat +C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O X93 trandolaprilat +CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O X94 perindoprilat +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O X95 (s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan +c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X96 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide +c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5 X97 3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione +c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5 X98 1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one +c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F X99 2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] X9D 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4 X9F n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O X9G 1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O X9I 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid +CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C X9J 3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6 X9M 4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide +Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C X9P 3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N X9Q {(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C X9S 3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C X9V 3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O X9X d-allitol +Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C X9Y 3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide +c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl XA0 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O XA1 {(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O XA2 (r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid +Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C XA4 (20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N XA6 (2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid +CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC XA7 tetrahexyl ammonnium +C[C@H]([C@@H](c1nccs1)N)O XAA (1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol +CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC XAC n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N XAD 9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N XAE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine +Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F XAF 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O XAG n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N XAH 5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine +CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C XAJ ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N XAL [(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl XAM (1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside +c1[nH]c2c(n1)C(=O)NC(=O)N2 XAN xanthine +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O XAO cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide +C(CN)CON XAP 3-aminooxy-1-aminopropane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N XAR [(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C XAT (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol +c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F XAV 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O XAX {[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum +Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O XAY 2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid +Cc1cc(n2c(n1)cc(n2)N)C XAZ 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine +CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C XB1 n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea +COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F XB7 1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4 XBA 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +C1C[C@H](CN=C1)N XBB (3s)-2,3,4,5-tetrahydropyridin-3-amine +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C XBD 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O XBG (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid +CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O XBJ 4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol +C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O XBK 4,5-de-epoxypimaricin +Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4 XBL 6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine +CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl XBM n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide +O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5 XBO heptamolybdate +C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O XBP xylulose-1,5-bisphosphate +c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl XBR 3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid +B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O XBS 3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid +CC[C@@H](C)C1=NCCS1 XBT 2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O XBU methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F XBV (3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C XBY 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide +Cc1ccc(c(c1)C)C XBZ 1,2,4-trimethylbenzene +C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O XC [(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl XC1 n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide +c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6 XC2 (3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O XC3 [(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium +c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4 XC4 1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O XC5 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F XC7 3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C XCA (8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid +S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe] XCC fe(4)-ni(1)-s(4) cluster +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C XCD 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide +COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N XCF 5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(o2)c3[nH]ccn3 XCG 2-(2-benzofuranyl)-2-imidazoline +Cc1cc(ccc1OCCCC(=O)NO)Cl XCH droxinostat +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O XCI [(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid +CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4 XCJ n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide +C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCL [(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C XCM 3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)SC#N XCN s-cyano-l-cysteine +O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O] XCO co-substituted beta-keggin +C1C[C@@H]([C@H](C1)N)C(=O)O XCP (1s,2s)-2-aminocyclopentanecarboxylic acid +C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCR [(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCS (1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCT 4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one +O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7 XCU cu-substituted alpha-keggin +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F XCV n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2 XCX 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid +c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCY {5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate +Cc1ccnc(n1)S(=O)(=O)N XCZ 1.7.6 4-methylpyrimidine-2-sulfonamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C XD1 (2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O XD2 (2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C XD4 [(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate +c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N XD5 [(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate +c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O XD6 (5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde +C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XD9 (4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O XDA 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate +c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N XDD n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +CNC[C@H](c1ccc(c(c1)O)O)O XDE 4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol +CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl XDH 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br XDI 4,4'-propane-2,2-diylbis(2,6-dibromophenol) +c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N XDJ n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine +c1cc(cnc1)c2ccnc(n2)N XDK 2-amino-4-pyridyl-pyrimidine +C1C[C@@H](C(=O)NC1)O XDL xylose-derived isofagomine lactam +CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C XDM ~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +C1[C@H](C([C@H](CN1)O)O)O XDN piperidine-3,4,5-triol +C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O XDP d-xylulose-2,2-diol-1,5-bisphosphate +CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O XDR hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate +CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO XDS (5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione +CC([C@H](C(=O)O)N)OC XDT o-methyl-d-allothreonine +C(COCCOCC(=O)N)N XDV 2-[2-(2-aminoethoxy)ethoxy]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O XDX (2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N XDY n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +[Xe] XE xenon +N(P(NP(=O)(O)O)(O)O)P(=O)(O)O XE1 n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid) +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O XE4 1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z) +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F XE7 3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide +C1CON[C@@H]1C#N XEA (3r)-1,2-oxazolidine-3-carbonitrile +CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N XEB 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O XED dextrofloxacine +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O XEG (2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +C[C@H](CC(=O)N)N XEJ (3r)-3-aminobutanamide +CCCCN1CCCC(=C1)C(=O)N XEN 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O XES {(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +COc1cccc(c1)c2cccc(c2)C(=O)O XEV 3-(3-methoxyphenyl)benzoic acid +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4 XEY 2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4 XEZ 6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N XF1 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O XF4 (5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione +c1cc2c(cc[nH]2)c(c1)N3CCNCC3 XF5 4-(piperazin-1-yl)-1h-indole +c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl XF7 (5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione +CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl XFA 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O XFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5 XFD 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile +Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N XFE (3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O XFG 3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C XFH 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O XFI n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C XFL 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) +[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O XFP 3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O XFS 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +C1CS(=O)(=O)C1 XFV 1lambda~6~-thietane-1,1-dione +C(CC(N)N)[C@@H](C(=O)O)N XFW (2s)-2,5,5-tris(azanyl)pentanoic acid +CCCCn1cc2c3ccccc3nc(c2n1)N XG1 2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N XG4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N XGA 6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC XGD 4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide +CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O XGH 2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide +C1N[C@H](NN1)N XGJ (3s)-1,2,4-triazolidin-3-amine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGL [(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +CCC(=O)NO XGM n-hydroxypropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O XGP 1-o-phosphono-beta-d-glucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGR [(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1CS(=O)(=O)N1 XGS 1lambda~6~,2-thiazetidine-1,1-dione +c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N XGU 2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one +c1cc(nnc1)N XGV pyridazin-3-amine +CN1C[C@H](NC1)N XGY (4s)-1-methylimidazolidin-4-amine +CC(C)NC(=O)N XH1 n-propan-2-ylurea +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O XH2 (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid +C1CNN[C@@H]1CO XH4 [(3r)-pyrazolidin-3-yl]methanol +C1CSC[C@H]1C(=O)O XH7 (3r)-thiolane-3-carboxylic acid +c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N XH8 7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2- +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O XHA 2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide +C(C#N)C(=O)N XHD 2-cyanoacetamide +C1C[C@@H](OC1)CN XHG 1-[(2r)-oxolan-2-yl]methanamine +C1CNN[C@@H]1N XHJ (3s)-pyrazolidin-3-amine +Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F XHM 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile +C=C1CN=C2C(=N1)C(=O)NC(=N2)N XHP 2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one +CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHS 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine +CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHV 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O XHY 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N XI1 n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F XI2 6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +c1ccc(cc1)C(=O)CC(=O)C(=O)O XI7 2-4-dioxo-4-phenylbutanoic acid +CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C XIA (2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid +C1CNC[C@H]([C@@H]1O)O XIF piperidine-3,4-diol +COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O XIG 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C XIH 2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile +C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O XIL (3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside +c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O XIM 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol +CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 XIN methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate +c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O XIS 4-diphenylphosphanylbenzoic acid +c1([nH]nc(n1)N)N XIX 3,5-diamino-1h-[1,2,4]triazole +c1ccc2c(c1)[nH]c(n2)CO XIY 2-hydroxymethyl-benzoimidazole +c1cnccc1\C=C\C(=O)O XIZ (e)-pyridin-4-yl-acrylic acid +c1c(cnc(n1)N)\C=C\C(=O)O XJ0 (e)-3-(2-amino-pyridine-5yl)-acrylic acid +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O XJ1 (2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid +CNC[C@H](CN1CCCc2ccccc2C1)O XJ2 (2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol +Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ3 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ4 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O XJ7 (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O XJ8 n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O XJA (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN XJD (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate +Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O XJE [(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2 XJG 1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone +c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N XJH 6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +C1CNC(=O)CN1 XJJ piperazin-2-one +Cc1[nH]nnn1 XJM 5-methyl-1h-tetrazole +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C XJO (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate +C1[C@@H](N[C@@H](S1)N)N XJP (2s,4r)-1,3-thiazolidine-2,4-diamine +CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O XJS 2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate) +C1CNC(=O)N1 XJV imidazolidin-2-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C XJX onalespib +B(C1CCC1)(O)O XJY cyclobutylboronic acid +C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC XK0 (4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C1[C@H](NCO1)CN XK1 1-[(4r)-1,3-oxazolidin-4-yl]methanamine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O XK2 [4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one +CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N XK3 4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid +C1CON[C@H]1N XK4 (3r)-1,2-oxazolidin-3-amine +C1CC1(C(=O)N)N XK7 1-aminocyclopropane-1-carboxamide +C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] XK9 n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O XKA [2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone +C[C@H](C(=O)NC)N XKD n-methyl-d-alaninamide +Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C XKG (2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XKJ dodecyl beta-d-glucopyranoside +CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O XKL 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide +CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN XKP (11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate +C1C(CN1)O XKS azetidin-3-ol +CC[C@@H](C(=O)N)N XKV (2r)-2-aminobutanamide +C1[C@H](NCN1)C#N XKY (4s)-imidazolidine-4-carbonitrile +CCS XL1 ethanethiol +C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C XL2 2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide +CCCS XL3 propane-1-thiol +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F XL5 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C XL6 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F XL7 n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl XL8 n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide +CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl XL9 n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O XLB 3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid +CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl XLC 3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide +CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4 XLD 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide +C1[C@H]([C@@H]([C@](O1)(CO)O)O)O XLF beta-d-xylulofuranose +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O XLI n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide +CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O XLN n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O XLO 3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid +c1cc2c(cc1C(=O)O)scn2 XLP 1,3-benzothiazole-6-carboxylic acid +C([C@H]([C@@H]([C@H](C=O)O)O)O)O XLS d-xylose +Cc1c(noc1N)C XLV 3,4-dimethyl-1,2-oxazol-5-amine +C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O XLX 4,4'-(ethylenediimino)bis[4-oxobutyrate] +C[C@H]1CNc2ccccc2C(=O)N1 XLY (3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one +c1ccc2c(c1)CC(C2)N XM0 indan-2-amine +c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl XM1 (2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine +C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C XM2 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide +Cc1cc(ccc1NC(=O)C)Cl XM4 n-(4-chloro-2-methylphenyl)acetamide +CN1c2c(ccc3c2OCO3)C(=CC1=O)OC XM5 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O XM7 5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine +COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl XMA (-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5 XMB 4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6 XMC 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine +CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMD (2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO XME 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO XMF 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5 XMG 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid +CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMH 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5 XMI 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl XMJ 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl XMK 1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine +c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br XMM 5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O XMP xanthosine-5'-monophosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl XMQ 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl XMS (3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O XN1 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O XN2 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6 XN3 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +C(CO)NCC(=O)NCCO XN7 n,n~2~-bis(2-hydroxyethyl)glycinamide +Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNA n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNB n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O XNC (11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O XND (11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CCCCCCCCCC(=O)NCCCC(=O)O XNG 4-(decanoylamino)butanoic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C XNH (3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one +CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C XNI (11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5 XNJ n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide +c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O XNL (1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl XNM (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6 XNN n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N XNP tricyclic nadph +COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XNS methyl ester octyl alpha-1o-d-mannopyrannoside +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C XNV ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XNW (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N XNY [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O XNZ (11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3 XO3 5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one +c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4 XOC n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide +c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O XOD (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C/C(=C\C=O)/CC/C=C(\C)/C=O XOG (2e,6e)-2,6-dimethylocta-2,6-dienedial +CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC XOJ 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea +CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S XOK (2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid +Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 XOM (2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O XOP 8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O XOS 3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O XOU (2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4 XOV (2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O XOY (r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4 XP0 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CN(C)c1ccc(cc1)C(=O)O XP1 4-(dimethylamino)benzoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC XP4 1,2-dimyristoyl-sn-glycero-3-phosphate +CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC XP5 (4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3 XP7 (5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O XP8 o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O XP9 o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine +CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC XPA 1,2-didecanoyl-sn-glycero-3-phosphate +c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O XPB o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate +C1[C@@H]([C@H](CN1)N)C(=O)O XPC (3s,4r)-4-aminopyrrolidine-3-carboxylic acid +c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2 XPD 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O XPE 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol +CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N XPF n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide +CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O XPG 7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid +c1ccc(cc1)C[C@@H](N)P(=O)(O)O XPH [(1s)-1-amino-2-phenylethyl]phosphonic acid +CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O XPJ 1-deoxy-1-(methylamino)-d-allitol +C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N XPL n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine +CCCCCCCCCCCCCCC(C(=O)O)C(=O)O XPM tetradecylpropanedioic acid +C(=O)OP(=O)(O)O XPO formyl phosphate +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C XPP hydroxypyrrole-imidazole-pyrrole polyamide +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O XPR (2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid +CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O XPS 6-deoxy-6-(methylamino)-d-galactitol +CCCS(CCC)(CCC)Cl XPT 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane +c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O XPV (6-phenyl-1-benzofuran-3-yl)acetic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC XPX (2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate +Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N XPY 5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c2ccc(cc2[nH]n1)O XQ0 3-methyl-1h-indazol-6-ol +COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O XQ1 [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O XQ4 (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name) +c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O XQ7 (1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol +CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 XQ9 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C XQA udp-di-n-acetyl-alpha-bacillosamine +[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O XQB 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid +CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O XQC 4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O XQD [(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CSc1c2c([nH]cn2)ncn1 XQG 6-methylsulfanyl-9h-purine +COC(=O)Cc1cc(cc(c1)O)O XQI methyl 2-(3,5-dihydroxyphenyl)ethanoate +Cc1cccc(c1)I XQJ 1-iodo-3-methylbenzene +Cc1c(c([nH]n1)c2ccno2)C(=O)OC XQK methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate +Cc1ccc(cc1)I XQM 1-iodo-4-methylbenzene +CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XQO 2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O XQP (2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4 XQV n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide +CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6 XR1 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C XR2 1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C XR4 n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC XR7 n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5 XR8 5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4 XRA 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine +CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl XRD clobetasol propionate +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O XRF 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(\NC)/NC(=O)NC XRG 1-methyl-3-(n-methylcarbamimidoyl)urea +CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XRJ 2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4 XRM 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N XRO 5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3 XRP 3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole +C[C@H](CCOc1nccn1C)N(C)C XRS (2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine +c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F XRV 7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C[C@H](CCOC(=O)N(C)C)N(C)C XRX 3-(dimethylamino)butyl dimethylcarbamate +c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N XS1 7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O XS2 methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside +CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC XS4 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea +C(CCC(=O)NO)CCNCCCN XS6 6-[(3-aminopropyl)amino]-n-hydroxyhexanamide +B(CC[C@H](C(=O)O)NCCN)(O)O XSA (2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid +c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N XSD 7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N XSG 7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O XSM (2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid +C([C@@H](C(=O)N)N)C(=O)O XSN l-alpha-asparagine +C(=O)[C@H](C(=O)O)OP(=O)(O)O XSP (2r)-3-oxo-2-(phosphonooxy)propanoic acid +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F XSS 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F XSV 1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7 XSY (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4 XT0 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT1 (2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid +C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT2 (2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4 XT3 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C XT4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XT5 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5 XT7 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C XT8 (2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O XTA (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-] XTC (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl XTD {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone +CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O XTF [(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O XTG 4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O XTH 1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTJ (3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate +Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O XTK 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O XTL [(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1=NC2=C(C(=O)N=C(N2)N)NC1=O XTN 2-amino-1,5-dihydropteridine-4,6-dione +c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTP benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O XTR [(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O XTS 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XTV 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl XTW 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol +Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XTY (1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4 XTZ 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)-c3cccnc3NC2=O XU1 benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4 XU2 n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl XU3 (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO XU4 n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl XU5 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +B(CCC(C(=O)O)N)(O)O XU7 (2s)-2-amino-4-boronobutanoic acid +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O XUA 2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate) +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O XUG 2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) +B(CC[C@H](C(=O)O)N)(O)O XUJ (2r)-2-amino-4-boronobutanoic acid +C([C@H]([C@@H](C(=O)CO)O)O)O XUL d-xylulose +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUP diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N XUS diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XUV diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate +c1ccc(c(c1)Cc2ccc3cccnc3c2O)F XV1 7-(2-fluorobenzyl)quinolin-8-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC XV4 n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O XV6 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide] +c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O XV7 9h-fluorene-2,7-disulfonate +c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F XVD 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol +c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2 XVE phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate +CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O XVG 1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVJ diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XVM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVP diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O XVR (5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XVS diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVV diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOC(=O)CCCC[C@@H](C(=O)O)N XW1 (2s)-2-amino-7-ethoxy-7-oxoheptanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XW4 diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl XWG (3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione +Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N XWJ n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide +Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N XWP n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide +c1ccc(cc1)N2CC[C@H](N[C@H]2O)O XWS (2r,4r)-1-phenylhexahydropyrimidine-2,4-diol +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C XWV 5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline +C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C XWW n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C XWY (3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl XX0 2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide +c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N XX1 n~6~-7h-purin-6-yl-l-lysine +C1=CC(=O)[C](C=C1[N+](=O)[O-])O XX2 1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized +C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO XX3 (1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene +CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4 XX4 3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide +CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O XX5 (s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid +c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O XX6 2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O XX7 2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +Cc1ncc(c(n1)N)Cc2cccc(c2)CO XX8 {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol +CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl XX9 n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide +C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O XXA 2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid +CCCCn1c(ccn1)C(=O)O XXB 1-butyl-1h-pyrazole-5-carboxylic acid +c1ccc(cc1)CCCCCCC(=O)O XXC 7-phenylheptanoic acid +C(C[C@@H](CO)O)CO XXD (2s)-pentane-1,2,5-triol +c1ccn(c1)c2ccnc(c2)C(=O)O XXE 4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid +C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O XXG 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid +c1cc(ccc1C=O)[N+](=O)[O-] XXH 4-nitrobenzaldehyde +c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O XXJ 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide +c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1 XXK 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol +CCOC(=O)CN1c2ccccc2OCC1=O XXL ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate +C1[C@@]([C@H]([C@H](O1)O)O)(CO)O XXM 3-c-(hydroxylmethyl)-alpha-d-erythrofuranose +c1cc(oc1)c2cc(ccn2)C(=O)O XXO 2-(furan-2-yl)pyridine-4-carboxylic acid +C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-] XXP 2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O XXR alpha-d-rhamnopyranose +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C XXS 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2 XXT [(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N XXV 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N XXX (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O XXY 2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate +c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N XXZ 1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine +c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN XY1 4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid +CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-] XY2 n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine +Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO XY3 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide +CC(C)NC(=O)Nc1ccccc1 XY4 n-phenyl-n'-propan-2-ylurea +c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O XY5 2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F XY7 1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N XYA 2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O XYB 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +C1CCC(C1)C[C@@H](C(=O)O)N XYC (2~{s})-2-azanyl-3-cyclopentyl-propanoic acid +Cc1ccc(c(c1)N)C XYD 2,5-dimethylaniline +[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O XYF 5(r)-fluoro-beta-d-xylopyranose +[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O XYG [(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O XYH xylarohydroxamate +CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C XYJ 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide +C([C@@H](C([C@@H](CO)O)O)O)O XYL xylitol +C(C(=O)O)S/C=C(/C(=O)O)\O XYM (2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid +C(C(=O)C(=O)O)SCC(=O)O XYN 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O XYP beta-d-xylopyranose +CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O XYQ (2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O XYS alpha-d-xylopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O XYT cellobiose-6-phosphate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F XYW 2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl XYY (3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid +C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O XYZ beta-d-xylofuranose +COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F XZ1 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol +CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O XZ2 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide +COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O XZ4 methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F XZ7 runcaciguat +CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C XZ8 4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one +C(=O)(NN)O XZA diazanecarboxylic acid +CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F XZB n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C XZD phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester +c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7 XZM n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl XZN 4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +C1C[C@H]([C@@H](C1)N)C(=O)O XZP (1r,2r)-2-aminocyclopentane-1-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F XZS n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl XZV 4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl XZY 4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +CC1=CC(=O)Oc2c1cc(c(c2)O)Cl XZZ 6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one +c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O Y 2'-deoxy-n6-(s)styrene oxide adenosine monophosphate +C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O Y00 dobutamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C Y01 cholesterol hemisuccinate +Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C Y02 (2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide +c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O Y03 (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl Y04 (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O Y06 (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O Y07 [2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O Y08 (e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O Y09 (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y0A n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y0D n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0G n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4 Y0J n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N Y0R 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I Y0V 2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid +COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O Y0X 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) +COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0Y 4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide +[Y+2] Y1 yttrium ion +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O Y10 (e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y11 n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2 Y12 4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate +c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O Y13 (2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide +c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4 Y14 n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y15 n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O Y16 (e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O Y17 5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O Y18 5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O Y19 1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol +CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1A 4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F Y1D n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O Y1G (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y1J n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3 Y1M n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide +CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3 Y1N 2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid +COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1P 4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y1S 4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C[C@H](C[C@@H](C(=O)O)N)CN Y1V (4r)-5-amino-l-leucine +COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O Y1W (1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol +Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O Y1Y 3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid +Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 Y1Z 2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide +C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O Y21 (3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F Y22 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O Y24 1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) +C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N Y27 (r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide +c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O Y28 o-benzyl-n-(carboxycarbonyl)-d-tyrosine +C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O Y2A (2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F Y2B 6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4 Y2D 1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F Y2F 6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC Y2G n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl Y2J 4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y2M n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O Y2P 2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y2V 4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O Y2Y (3s,4r)-3-amino-4-hydroxyheptanedioic acid +CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O Y3 4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O Y30 3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +c1c(cncc1Br)C(=O)O Y31 5-bromopyridine-3-carboxylic acid +c1c2c(c(s1)C(=O)O)OCCO2 Y34 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid +[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O Y35 (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-) +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C Y36 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O Y37 (1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 Y38 n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine +CCCCCCCCC[C@H]1C[C@@H]1C(=O)O Y39 (1s,2s)-2-nonylcyclopropanecarboxylic acid +c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2 Y3A n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O Y3D (1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid +C#CC1=CNC(=O)NC1=O Y3G 5-ethynylpyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N Y3J 5,5-difluoromethyl adenosine +CC(=O)Nc1nc2ccc(cc2s1)Cl Y3L n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5 Y3M ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +C(=C(/C(=O)O)\O)\C(=O)O Y3P (~{z})-2-oxidanylbut-2-enedioic acid +C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F Y3S (2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O Y3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C Y3V (2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide +C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2 Y3Y (2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3 Y41 3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 Y44 n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N Y46 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 Y47 4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide +c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O Y49 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y4D (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y4J (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN(C)S(=O)(=O)Nc1ccc(cc1)Cl Y4L ((4-chlorophenyl)sulfamoyl))dimethylamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y4P (1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y4V (1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C Y50 e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y51 (1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC Y52 methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5 Y54 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O Y55 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione +CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1 Y57 n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C Y5D {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C Y5G {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl Y5H 3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl Y5J 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4 Y5L 4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 Y5M 7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one +C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O Y5P 1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y5S (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O Y5V 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C Y5Y cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4 Y61 n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y64 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O Y67 2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide +CCOCCOCCOCCCCCCCCCCC=O Y69 11-[2-(2-ethoxyethoxy)ethoxy]undecanal +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5 Y6A 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5 Y6D 2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5 Y6G 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5 Y6J ~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide +c1cc2c(cc1O)NC(CC2)O Y6M (2r)-1,2,3,4-tetrahydroquinoline-2,7-diol +Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O Y6P 7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +c1cc(cc2c1cc([nH]2)C(=O)O)I Y6S 6-iodanyl-1~{h}-indole-2-carboxylic acid +c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4 Y6V ~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O Y6W [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5 Y6Y 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O Y70 s-pomalidomide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y71 (1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C/C(=C/COP(=O)(O)O)/CCN=[N]=N Y77 [(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate +CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C Y7D (2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y7G (1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y7M (1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN Y7N 5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O Y7S (1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid +c1cc(cc(c1)I)F Y7V 1-fluoranyl-3-iodanyl-benzene +COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC Y7Y methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate +COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4 Y80 4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4 Y81 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 Y83 tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1ccc2c(c1)cccc2F Y84 1-fluoranylnaphthalene +c1cc(ccc1F)Br Y87 1-bromanyl-4-fluoranyl-benzene +CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl Y8A 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline +c1cc(ccc1F)I Y8D 1-fluoranyl-4-iodanyl-benzene +CCCCc1cccs1 Y8G 2-butylthiophene +c1cc(c(cc1Br)Br)O Y8I 2,4-bis(bromanyl)phenol +CCCCc1cccnc1 Y8J 3-butylpyridine +CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4 Y8L 3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one +c1ccc(cc1)CCCc2ccc(cc2)N Y8M 4-(3-phenylpropyl)aniline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O Y8P (3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8S (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8V (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y8Y (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y91 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C Y94 2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N Y95 5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O Y96 5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5 Y97 5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide +Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3 Y9A ~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F Y9B 4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O Y9Y paranitrophenyl-alpha-l-galactopyranoside +CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O Y9Z 5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA1 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA2 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C YA3 2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O YA4 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C YA7 n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide +c1ccc(cc1)C(=O)/C=C\CCC(=O)O YAC (4z)-6-oxo-6-phenylhex-4-enoic acid +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4 YAD (phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate +COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O YAG 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol +CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3 YAJ ~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O YAK n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C YAM n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide +c1ccc(c(c1)Cl)Cl YAN 1,2-dichlorobenzene +c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YAP 5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O YAS ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl YAU n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O YAV 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid +c1cc(c(cc1/C=C/C(=O)O)Cl)O YAZ (2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid +[Yb+3] YB ytterbium (iii) ion +[Yb+2] YB2 ytterbium (ii) ion +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC YB4 ~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F YB7 ~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F YBA ~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl YBD ~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC YBG 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol +c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O YBH 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid +COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4 YBN 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate +c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O YBS [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone +C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO YBT bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium +c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O YBY n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO YC1 [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I YC2 n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O YC8 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O YCD (4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO YCF (2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide +Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 YCG [5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone +Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4 YCJ (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone +[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YCL 2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +C([C@@H](C(=O)O)N)SCC(=O)N YCM s-(2-amino-2-oxoethyl)-l-cysteine +C1CNCCNCCNCCN1 YCN 1,4,7,10-tetraazacyclododecane +c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2 YCO 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one +C1CCN[C@@H](C1)C(=O)O YCP (2s)-piperidine-2-carboxylic acid +C[C@H](C(=O)N)Oc1ccc(cc1)Br YCS (2~{r})-2-(4-bromanylphenoxy)propanamide +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC YCU 1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea +CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O YCV 2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide +COc1ccc(cc1)S(=O)(=O)Nc2ccccc2 YCY 4-methoxy-~{n}-phenyl-benzenesulfonamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl YD1 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD3 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD4 4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione +CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C YD7 ~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide +Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C YD8 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone +CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6 YDA 1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide +CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O YDD [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate +CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N YDI 5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide +c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N YDJ 5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3 YDK 2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C YDP (3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O YDR 6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose +C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O YDY (2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC YDZ [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O YE1 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O YE2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl YE4 n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C YE5 1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone +c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl YE6 5-(2-chlorophenyl)furan-2-carbohydrazide +c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN YE7 imidazo[2,1-a]isoquinoline-2-carbohydrazide +CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O YED (3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +C1CCC(C1)O YEG cyclopentanol +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4 YEJ 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C YEM n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N YEN n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide +C(CO)C(CCO)C(CO)(CO)CO YES 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol +Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C YEV (2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4 YEX 5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +c1cc([nH]c1)c2ccc3c(c2)OCCO3 YEY 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole +Cc1cnc(nc1N)C YF1 2,5-dimethylpyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C YF2 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide +Cc1ncc(c(n1)N)CNC(C)CS YF3 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol +CCN(C)Cc1cnc(nc1N)C YF4 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C YF6 n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O YF7 [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6 YFA (2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C YFB amorfrutin b +CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC YFD amorfrutin 2 +CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C YFE amorfrutin 1 +[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YFF 2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4 YFG 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC YFP 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N YFS n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N YFV 5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 YFY (2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC YG wybutosine +CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO YG1 n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O YG4 [(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N YG7 5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide +c1ccc(cc1)CCSc2cnn[nH]2 YGG 5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole +c1ccc(cc1)CCOc2ccc(cc2)O YGJ 4-(2-phenylethoxy)phenol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N YGL 2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C=CCCc1ccccc1 YGM (but-3-en-1-yl)benzene +CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O YGP 5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine +CC(=C)Cc1ccccc1 YGS (2-methylprop-2-en-1-yl)benzene +CSc1ccccc1Cl YGV 1-chloro-2-(methylsulfanyl)benzene +C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4 YGY cryptophycin 52 +[OH2][Y+2] YH yttrium ion, 1 water coordinated +c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH1 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N YH2 4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile +Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH3 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH4 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH5 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH6 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +C1=NC2=C(NC(=S)N=C2N1)N YH7 6-amino-1,9-dihydro-2h-purine-2-thione +B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O YHD n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C YHI benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate +c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO YHJ benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate +C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N YHO (1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol +CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F YHP n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide +Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F YHV 4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] YHX 4-nitroquinoline 1-oxide +Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F YHY n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide +COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl YI0 4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+] YI1 [4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O YI2 (1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C YI3 (1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C YI4 (1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol +COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl YI5 4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +CCOc1ccc(cc1)CC(=O)O YI6 2-(4-ethoxyphenyl)ethanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3 YIC (2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(ccc1Cc2[n-]nnn2)Cl YIE 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene +c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl YIH 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br YIN (6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O YIO 1-thio-beta-d-galactopyranose +c1cc(cc(c1)Cl)OCc2n[n-]nn2 YIP 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3 YIQ (e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide +[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] YIR (e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide +CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO YIS 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea +CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC YIT n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide +CCCCNC=O YIV n-butylformamide +CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C YIW 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C YIX 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F YIY (1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea +Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN YJ1 n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl YJ2 (2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC YJ4 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC YJ7 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl YJ8 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl YJ9 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO YJA 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl YJC (4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide +CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O YJD 4-(2-propan-2-yloxybenzimidazol-1-yl)phenol +Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl YJG 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide +Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5 YJJ n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O YJM 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N YJS 3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide +Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3 YJW 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol +c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4 YJX 1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC YK1 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F YK2 [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC YK4 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC YK7 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O YK8 20alpha-hydroxy-20-(5-methylhexyl)cholesterol +c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4 YK9 4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKA (1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4 YKB n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5 YKC n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKD (1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6 YKE n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide +Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O YKG [(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6 YKI 1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5 YKJ 2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKM (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F YKN 2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKP (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO YKR 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKS (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKV (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YKY (1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4 YL2 ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O YL3 ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O YL4 [(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL5 [(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL6 [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YL7 (1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLA (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride +CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLB 5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine +C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLC 5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLD (1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@@H]1c2ccccc2CCN1 YLG (1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLJ (1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O YLL (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLM (1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4 YLO 1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole +CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLP (s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O YLQ 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLS (1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YLV (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N YLY (2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YM1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3 YM2 1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2 YM3 ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br YM4 6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO YM5 (3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol +c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN YM6 1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine +c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3 YM7 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile +C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N YM8 (r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile +C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O YMA 7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMD (1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMG (1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMJ (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO YML [(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMM (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YMP o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMS (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMV (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F YMX entrectinib +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMY (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O YMZ mefloquine +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YN1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4 YN4 ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl) +C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C YN7 5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide +CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O YNA n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O YNC tetradec-13-ynoic acid - coa thioester +CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O YND n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 YNE 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N YNG 7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3 YNJ 7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid +CN[C@@H](Cc1ccc(cc1)O)C(=O)O YNM n-methyl-l-tyrosine +C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC YNP cryptophycin 1 +[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C YNS 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide +C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC YNU eplerenone +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C YNV 17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one +COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N YNY methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate +c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N YO1 4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide +C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C YO3 yo3-biotin +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O YO5 (1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N YO7 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name) +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O YOA 5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine +CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YOD (1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide +c1cc(c(cc1C[C@@H](C(=O)O)N)F)O YOF 3-fluorotyrosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO YOG 1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate +c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O YOJ 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O YOK [[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O YOL [[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2 YOM 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +C1=CNC(=O)C(=C1)C[C@@H](CO)N YOP 3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one +COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F YOS [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid +CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl YOV 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one +CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O YOY [[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O YP1 2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile +C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F YP4 n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine +c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F YP6 2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O YPA (s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC YPC s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine +c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O YPE 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate +c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O YPF 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N YPG [3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid +c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O YPH 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6 YPM (1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide +c1cc(ncc1Cl)SCCO YPN 2-[(5-chloro-2-pyridyl)sulfanyl]ethanol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O YPP hydrolyzed piperacillin +COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4 YPR (4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline +CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YPS (1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide +N[Pt+2](N)([I-])[I-] YPT cis-diamino(diiodo)platinum +C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N YPW 2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide +c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N YPZ 3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine +Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C YQ7 (4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one +C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O YQA 5-hydroxy,-4,5-dihydroquinolinate +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C YQD n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5 YQG n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC YQJ n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F YQM eravacycline +C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O YQP (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid +CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC YQV methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O YQY [3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7 YR0 7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O YR1 2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O YR3 (2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO YR4 (2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF YR7 2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N YRA 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl YRG (2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-] YRJ 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium +c1cc(ccc1CCO)O YRL 4-(2-hydroxyethyl)phenol +CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C YRM (5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione +CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O YRO 5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl YRP (2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide +C1CN[C@@H]([C@H]1O)COP(=O)(O)O YRR 3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group +c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4 YRZ n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine +c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 YS1 [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS2 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS3 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O YS4 [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS5 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cnccc1NC(=S)N YS6 1-pyridin-4-ylthiourea +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O YS7 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside +CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS9 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YSA 5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O YSC [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O YSD (1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSE (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O YSG 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione +CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O YSH 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid +c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl YSJ 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSL (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSM 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(c2c(c1)[nH]nc2N)C#N YSO 3-amino-1h-indazole-4-carbonitrile +Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSP 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O YSS 15r-methyl-prostaglandin d2 +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O YSU [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSV (1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol +c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3 YSY 4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile +COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4 YT1 pb28 +[Y+3] YT3 yttrium (iii) ion +COC(=O)[C@H](CS)NC(=O)OCc1ccccc1 YT4 methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate +C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2 YT5 moiramide b +c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F YT7 roluperidone +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N YTA yatakemycin-adenine nucleobase adduct +C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N YTB (1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol +COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4 YTC (3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C YTD 6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one +CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O YTG n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide +C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O YTH o-phosphono-l-allothreonine +COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N YTJ 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile +c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YTM 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4 YTN (3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +Cc1cc(ccc1O)C(=O)C YTP 1-(4-hydroxy-3-methylphenyl)ethanone +CC1=CC(=O)N(c2c1ccc(c2OC)OC)C YTR 7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O YTS 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O YTT (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione +CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O YTV 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O YTW (3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol +COc1cc(ccc1O)CC(=O)O YTX 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YTY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(ccc1N)S(=O)(=O)Nc2nccs2 YTZ 4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O YU4 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl YU7 1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br YUG 2,6-dibromo-3-(2,4-dibromophenoxy)phenol +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl YUI 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N YUK 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5 YUM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate +CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br YUN n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O YUP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate +COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3 YUS n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 YUV (25r)-14beta,17beta-spirost-5-en-3beta-ol +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 YUY (2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2 YV1 (3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate +C1CNC(=O)[C@H]1N YV4 (3s)-3-aminopyrrolidin-2-one +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O YVN n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide +c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5 YVQ 3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +C[C@H]1CCC(=O)O1 YVR gamma-valerolactone +c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F YVS [4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate +Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C YW1 9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide +C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O YW2 (1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N YW4 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N YW7 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide +Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2 YWA 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC YWJ 4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWM diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC YWN 2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-] YWO o-(5-methyl-2-nitrophenyl)-d-tyrosinamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWP diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YWS diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O YWY 2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol +C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F YWZ 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O YX0 [(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO YX1 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose +Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2 YX4 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O YXA 5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid +CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O YXD n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl YXG milvexian +c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4 YXM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide +COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O YXP {(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid +C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXR (2r)-sulfonatepropionyl-coa +C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXS (2s)-sulfonatepropionyl-coa +C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl YXX chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium +C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN YXZ chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium +Cc1[nH]c(nn1)S YY1 5-methyl-4h-1,2,4-triazole-3-thiol +CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC YY2 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide +Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C YY3 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY4 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY5 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY6 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY7 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY9 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O YYA 2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid +CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O YYB 1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC YYG 4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O YYH 7-deoxy-l-glycero-alpha-d-manno-heptopyranose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O YYJ 1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O YYK beta-d-quinovopyranose +C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O YYM alpha-d-ribopyranose +CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O YYQ 2-acetamido-2-deoxy-alpha-l-galactopyranose +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO YYR 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O YYY deoxycytidine diphosphate +c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O YYZ (2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid +CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O YZ0 methyl beta-d-mannopyranoside +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O YZ6 (e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CCOC(=O)C1=Cc2ccc(cc2OC1=O)O YZ9 7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester +C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O YZE n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine +c1ccc(cc1)C(=O)NC(=O)N YZM n-carbamoylbenzamide +C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YZS (2s)-sulfonatepropionyl-amino(dethia)-coa +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O YZT 6-deoxy-6-sulfo-beta-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC YZY (2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate +C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O Z 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl Z00 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide +CC(C)(C)C(=O)NC[C@@H](C(=O)O)N Z01 3-[(2,2-dimethylpropanoyl)amino]-l-alanine +c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] Z02 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N Z04 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide +[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O Z06 (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron +c1cc(c2c(c1)sc(n2)N)C(F)(F)F Z07 4-(trifluoromethyl)-1,3-benzothiazol-2-amine +CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N Z0A (3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one +c1cncc2c1cnc3c2ccs3 Z0B thieno[2,3-c][2,6]naphthyridine +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z0F alpha-l-idopyranose +c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS Z0M n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide +CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2 Z0O 1-(tert-butyl)-3-(quinoxalin-6-yl)urea +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC Z0P (2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate +c1ccc2c(c1)c3c([nH]2)cncn3 Z0W 5h-pyrimido[5,4-b]indole +[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O Z10 [(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl Z12 2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide +c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F Z13 (e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine +c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N Z14 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z15 (1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol +c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O Z16 (1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol +C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C Z17 (3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C Z18 (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate +c1ccc2c(c1)c(n[nH]2)C(=O)NN Z19 1h-indazole-3-carbohydrazide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C Z1B n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C Z1E n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide +c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl Z20 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one +CCn1c2cc(ncc2nc1c3c(non3)N)Br Z21 4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +CSS(=O)(=O)C Z22 s-methyl methanesulfonothioate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F Z23 di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O Z24 (3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N Z25 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl Z26 2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide +c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl Z27 2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide +C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O Z2D alpha-l-allopyranose +c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4 Z2M 3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine +COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z2T (1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol +C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3 Z2V n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide +CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z30 (5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N Z31 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N Z34 n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine +C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O Z3A 4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO Z3D (1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1 Z3E o-benzyl-l-threonine +CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O Z3J 5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O Z3K (1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol +CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C Z3L 2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose +C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O Z3P 3,3',3''-phosphoryltripropanoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O Z3Q 2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N Z3R 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O Z3U beta-d-digitoxopyranose +CCNCCS Z3V 2-(ethylamino)ethane-1-thiol +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC Z41 (2s)-3-hydroxypropane-1,2-diyl dihexadecanoate +CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z46 (5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Z47 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4 Z48 n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O Z4K 2-o-sulfo-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O Z4R methyl 3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O Z4S 1,6-anhydro-n-acetyl-beta-d-glucopyranosamine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O Z4U methyl 4-thio-alpha-d-xylopyranoside +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S Z4V 4-thio-beta-l-ribopyranose +C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O Z4W beta-d-lyxopyranose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S Z4Y 6-thio-alpha-d-mannopyranose +c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z57 (1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol +c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O Z59 (2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] Z5A p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate +c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O Z5D (2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl Z5G 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +C[C@H]1[C@@H]([C@H](CC(O1)O)O)O Z5J beta-l-olivopyranose +CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Z5K n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S Z5L methyl 2-thio-alpha-d-mannopyranoside +c1ccc(c(c1)CN)n2cccn2 Z5P 1-[2-(1h-pyrazol-1-yl)phenyl]methanamine +C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O Z5Y (2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid +C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N Z60 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O Z61 2-deoxy-alpha-d-arabino-hexopyranose +C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N Z62 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +C=CCNc1nc(c(s1)C(=O)c2ccncc2)N Z63 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone +Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3 Z64 n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine +c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F Z67 4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N Z68 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O Z69 (1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate +C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z6H alpha-l-altropyranose +C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O Z6J alpha-l-ribofuranose +Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O Z6P 2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide +Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C Z6V vimseltinib +CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O Z6W (5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose +CCCCCCCCCCCC(=O)CC(=O)O Z6X 3-oxotetradecanoic acid +c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N Z70 (2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid +c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N Z71 4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl Z72 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one +CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C Z73 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C Z74 n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C Z75 n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O Z76 n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC Z77 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea +Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F Z78 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea +COc1ccc(cc1)S(=O)(=O)NCC(=O)NO Z79 n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F Z7D 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene +c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F Z7F trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl Z7G {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl Z7H n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide +CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl Z7I n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O Z7P (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z7S n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)c2ccc(cc2)C(=O)O Z7Z biphenyl-4-carboxylic acid +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl Z80 3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F Z81 (5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one +c1cc(ccc1C(=O)O)Br Z82 4-bromobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3 Z83 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4 Z84 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z85 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z86 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3 Z87 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea +CC(=O)NS(=O)(=O)c1ccc(cc1)Br Z88 n-[(4-bromophenyl)sulfonyl]acetamide +c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2 Z89 (2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N Z8B 5'-azido-8-bromo-5'-deoxyadenosine +CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O Z8G n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide +C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O Z8H beta-l-gulopyranose +CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O Z8I (3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one +CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O Z8R 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O Z8T beta-l-glucopyranose +CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z8V n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4 Z8Z n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide +c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O Z90 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl Z92 (4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one +COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5 Z93 2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium +CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2 Z94 n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide +CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl Z96 tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O Z97 (e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O Z98 (2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid +c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N Z99 2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO Z9D 4-deoxy-beta-d-xylo-hexopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O Z9E 1-thio-alpha-d-glucopyranose +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O Z9H 3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O Z9K 3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O Z9L methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O Z9M 2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O Z9N alpha-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O Z9W 2-acetamido-2-deoxy-beta-d-quinovopyranose +CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4 Z9Z pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[B-](CNC(=O)c1ccccc1Cl)(O)(O)O ZA2 [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O ZA3 trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron +[B-](CNC(=O)c1ccccc1F)(O)(O)O ZA4 [(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O ZA5 [(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O ZAA (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid +c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O ZAB (3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N ZAD (s)-1'-(2',3'-dihydroxypropyl)-adenine +CN[C@H](Cc1ccccc1)C(=O)O ZAE n-methyl-d-phenylalanine +C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 ZAF o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2 ZAH n-[(benzyloxy)carbonyl]-l-alanyl-l-proline +C1CCC(CC1)C[C@H](C(=O)O)N ZAL 3-cyclohexyl-d-alanine +CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C ZAM 3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N ZAN 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N ZAP [n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate +COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2 ZAR 6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N ZAS 5'-azido-5'-deoxyadenosine +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C ZAT 4,4'-diacetyldiphenylurea-bis(guanylhydrazone) +c1cc(cnc1)C(=O)c2cccnc2 ZAW di(pyridin-3-yl)methanone +C1CCC(CC1)CCCCCO ZAZ 5-cyclohexylpentan-1-ol +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O ZB0 2,3-di-o-methyl-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O ZB1 3-o-methyl-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O ZB2 2-o-methyl-alpha-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O ZB3 2,6-di-o-methyl-alpha-d-glucopyranose +COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4 ZB4 n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide +C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O ZB6 (2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid +CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C ZBA 12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate +C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br ZBC (2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate +C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O ZBD 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide +C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O ZBF l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine +c1c(cc(cc1CBr)CBr)CBr ZBR 1,3,5-tris(bromomethyl)benzene +c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5 ZBS 2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide +CC[C@H](C)C1=NCCS1 ZBT 2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br ZBU (s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil +c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N ZBZ s-(phenylcarbonyl)-l-cysteine +c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F ZC0 contezolid +CC(=O)Nc1nc2cc(ccc2s1)F ZC3 n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide +C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O ZCD alpha-d-idopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl ZCL 3,4-dichloro-l-phenylalanine +[Cm+3] ZCM curium ion +c1cc(cc(c1)O)[N+](=O)[O-] ZCQ 3-nitrophenol +C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O ZCT 2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid +c1ccc2c(c1)c(c[nH]2)CCO ZCW 2-(1h-indol-3-yl)ethanol +C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O ZCY (s)-1'-(2',3'-dihydroxypropyl)-cytosine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O ZCZ 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O ZD0 methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO ZD1 (1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside +c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N ZD2 (2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N ZD4 2-chloroadenosine 5'-(trihydrogen diphosphate) +CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br ZD6 vandetanib +CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 ZD7 5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one +CC#CNCc1cc2c(cc1C)N=C(NC2=O)C ZD9 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O ZDA 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O ZDC 3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-] ZDG 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate +Cc1cc(ccc1O)C[C@@H](C(=O)O)N ZDJ 3-methyl-l-tyrosine +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O ZDM nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O ZDO methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDP (2s,6s)-2,6-diamino-2-methylheptanedioic acid +C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDR (2r,6s)-2,6-diamino-2-methylheptanedioic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O ZDU 5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate +c1cc(cc(c1)F)CN ZDV 1-(3-fluorophenyl)methanamine +C1CCC(CC1)CCCCCCO ZE7 6-cyclohexylhexan-1-ol +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O ZE8 zebularine +C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO ZEA (2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O ZEB 4-hydroxy-3,4-dihydro-zebularine +c1cc2c(cc1O)sc(n2)S(=O)(=O)N ZEC 6-hydroxy-1,3-benzothiazole-2-sulfonamide +C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2 ZED l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O ZEE beta-l-talopyranose +c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F ZEG 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine +CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O ZEL methyl beta-d-altropyranoside +Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O ZEM 20-oxo-protoporphyrin ix containing zn(ii) +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 ZEN [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone +CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F ZEP n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide +C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O ZER (3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O ZES [3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid +C(CCCCO)CCCC(=O)O ZEU 9-hydroxynonanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N ZEV (2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C ZEX (1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol +C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO ZEZ (2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +Cc1cccc(c1)CN ZF0 1-(3-methylphenyl)methanamine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O ZF1 7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O ZF7 (1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid +c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2 ZFB (3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C ZFG 4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline +CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C ZFJ (4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3 ZFP 1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O ZFR (1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F ZFS n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide +CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F ZFY 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide +CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5 ZG1 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6 ZG2 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5 ZG4 n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide +c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N ZG7 (8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O ZGA zaragozic acid a +Cc1cc(ccc1OC)CCC(=O)O ZGB 3-(4-methoxy-3-methylphenyl)propanoic acid +COc1ccc(cc1)CCC(=O)O ZGC 3-(4-methoxyphenyl)propanoic acid +CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl ZGD n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C ZGE 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid +C(CC(=O)O)[C@H](C(=O)N)N ZGL d-alpha-glutamine +C(CC(=O)O)C(CC(=O)C(=O)O)O ZGM (4s)-4-hydroxy-2-oxoheptanedioic acid +Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S ZGP 5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O ZGR 2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid +CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O ZGS [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate +c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N ZGU (s)-1'-(2',3'-dihydroxypropyl)-guanine +CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O ZGV 4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid +COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O ZH1 methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O ZH2 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide +O[Zn-](O)O ZH3 zinc trihydroxide +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O ZH4 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C ZH7 (3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one +CC(=O)Nc1ccc2c(c1)CCCC2=O ZHA ~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide +C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O ZHB (3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C ZHD (3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one +C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O ZHG 2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol +COc1ccc(cc1)CCN ZHH 2-(4-methoxyphenyl)ethanamine +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O ZHJ 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl ZHK (2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br ZHM 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine +CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC ZHN pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate +CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O ZHP (s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone +Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C ZHS 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O ZHU alchivemycin a +Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br ZHV 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +COc1ccc(cc1)CC(=O)N ZHZ 2-(4-methoxyphenyl)acetamide +C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F ZI1 3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide +c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F ZI6 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide +c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F ZI7 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide +c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O ZID isonicotinic-acetyl-nicotinamide-adenine dinucleotide +COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F ZIG 2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1 ZIL n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine +c1ccnc(c1)Cc2ccc3cccnc3c2O ZIN 7-(pyridin-2-ylmethyl)quinolin-8-ol +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C ZIO (3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +CC(=CCNc1c2c([nH]cn2)ncn1)C ZIP n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine +C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N ZIQ alpha-methyl-l-tryptophan +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C ZIR n-(3-methylbut-2-en-1-yl)adenosine +CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O ZIT azithromycin +CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC ZJ0 1-(3,5-dimethoxyphenyl)decan-1-one +CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3 ZJ1 (2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide +Cc1cccc(c1c2ccc(s2)C(=O)O)C ZJ4 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid +Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C ZJ7 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid +Cc1ccccc1c2ccc(s2)C(=O)O ZJA 5-(2-methylphenyl)thiophene-2-carboxylic acid +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N ZJB (2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1ccccc1c2ccc(s2)C(=O)O ZJD 5-(2-ethylphenyl)thiophene-2-carboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C ZJG cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJJ 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C ZJM (1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C ZJS n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZJV (2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJY [1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F ZK1 {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK4 (1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F ZK5 9alpha-fluorocortisol +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK7 1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F ZK9 [3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ZKA (1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O ZKD uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine +O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2 ZKG zirconium(iv) phosphotungstate keggin +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZKJ (2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O ZKM n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide +C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3 ZKP fe3-s4 methylated cluster +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O ZKS (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O ZKW 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F ZL1 n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O ZL4 (1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) +Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C ZL5 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole +CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F ZL7 (2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) +c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLA 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 ZLD n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide +c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLG antabactin +C(CCl)S(=O)(=O)O ZLJ 2-chloroethane-1-sulfonic acid +Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C ZLK zafirlukast +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O ZLM (1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 ZLP (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O ZLS (1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O ZLV (3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one +c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O ZLY (4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O ZM1 2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC ZM3 mycinamicin iii +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol +B1(c2ccccc2[C@H](O1)O)O ZMD (3s)-2,1-benzoxaborole-1,3(3h)-diol +Cc1ccn(c1)c2c3c([nH]cn3)ncn2 ZME 6-(3-methyl-1h-pyrrol-1-yl)-9h-purine +CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F ZMG (5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O ZMK methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMP s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate +CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMQ s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O ZMR zanamivir +CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F ZMY (9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +[Zn+2] ZN zinc ion +CC[Sn](CC)(CC)Cl ZN0 triethyltin chloride +[Zn+2] ZN2 zinc ion on 3-fold crystal axis +[OH2][Zn+2] ZN3 zinc ion, 1 water coordinated +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl ZN4 1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide +C[Sn](C)(Br)Br ZN5 dimethyltin dibromide +CC[Sn](CC)(Cl)Cl ZN6 diethyltin dichloride +CC[Pb](CC)(Br)Br ZN7 diethyllead dibromide +C[Sn](C)(C)Cl ZN8 trimethyltin chloride +C[Pb](C)(C)Br ZN9 trimethyllead bromide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N ZNA [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N ZNB 2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide +c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4 ZNC 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O ZND zinc (ii) deuteroporphyrin ix +C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C ZNE (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol +c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F ZNG (9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C ZNH protoporphyrin ix containing zn +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F ZNM 3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol +C(CCNC(=O)CN=[N+]=[N-])CN ZNN n-(4-aminobutyl)-2-azidoacetamide +[OH2][Zn+2][OH2] ZNO zinc ion, 2 waters coordinated +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N ZNP (2r)-2-benzyl-3-nitropropanamide +C=CCOc1ccccc1F ZNV 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene +CCO[C@@H]1C[C@H](NC1)C(=O)O ZNY (4r)-4-ethoxy-l-proline +CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F ZO0 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline +c1cc(cc(c1)C(F)(F)F)C=O ZO1 3-(trifluoromethyl)benzaldehyde +[OH2][Zn+2]([OH2])[OH2] ZO3 zinc ion, 3 waters coordinated +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO4 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine +c1cncc2c1cnc3c2scc3 ZO6 thieno[3,2-c][2,6]naphthyridine +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine +c1cncc2c1c3ccsc3nc2 ZO8 thieno[2,3-c][2,7]naphthyridine +c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N ZO9 4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine +CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N ZOA ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O ZOD [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 ZOE 6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O ZOF 6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F ZOG 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid +c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O ZOL zoledronic acid +Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O ZOM [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid +c1ccc2c(c1)c(no2)CS(=O)(=O)N ZON 1-(1,2-benzoxazol-3-yl)methanesulfonamide +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F ZOO (5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5 ZOP (3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide +CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine +Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N ZOV 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine +c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N ZOY n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide +CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ZOZ 3-keto-decanoyl-coa +CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O ZP1 (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] ZP4 [[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 ZP6 (2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O ZP7 (2s)-2,3-dihydroxypropyl hexadecanoate +[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O ZPA 4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine +CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl ZPC (5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO ZPD (4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate +CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN ZPE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O ZPF n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide +C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O ZPG (2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol +CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC ZPH methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate +C1CC1C(=O)O ZPJ cyclopropanecarboxylic acid +C1CC(C1)C(=O)O ZPM cyclobutanecarboxylic acid +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O ZPN (2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide +C1CNN(C1)C(=O)O ZPO pyrazolidine-1-carboxylic acid +Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C ZPQ n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O ZPR n-benzyloxycarbonyl-l-prolyl-l-prolinal +C1CC(C1)(C(=O)O)C(=O)O ZPS cyclobutane-1,1-dicarboxylic acid +[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-] ZPT trichloro(ethene)platinate(ii) +c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O ZPV n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O ZPX n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O ZPY ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O ZPZ n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl ZQ1 n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine +CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O ZQ4 2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O ZQ7 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCc1csc(n1)c2cnc[nH]2 ZQA 4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole +CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3 ZQC 4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide +Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C ZQD 3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole +c1cnc([nH]1)CCCN ZQG 3-(1h-imidazol-2-yl)propan-1-amine +CN1C(=O)C=C2CNCCC2=N1 ZQJ 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one +CC(C)Sc1ccccc1NC(=O)N ZQM n-{2-[(propan-2-yl)sulfanyl]phenyl}urea +c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4 ZQS (4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O ZQU zosuquidar +CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4 ZQY 2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine +[Zr+4] ZR zirconium ion +Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F ZR1 (1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol +c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl ZR4 7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F ZR7 n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1 ZRA benzoyl-arginine-alanine-fluoro-methyl ketone +[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-] ZRC oxo zirconium(iv) cluster +c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F ZRD (4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC ZRG (2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide +c1cnccc1c2cc3c(o2)C=CNC3=O ZRK 2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one +c1cnccc1c2cc3c(s2)C(=CNC3=O)Br ZRL 7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O ZRM 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ZRO 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3 ZRP 4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide +c1cc(ccc1C(=O)O)n2cncn2 ZRS 4-(1h-1,2,4-triazol-1-yl)benzoic acid +CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5 ZRV 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide +O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O] ZRW w-zr-cluster +[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1 ZRY (1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine +c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F ZS0 3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +[H]/N=C\1/c2ccccc2C(=N1)N ZS1 (1z)-1-imino-1h-isoindol-3-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6 ZS2 (4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F ZS4 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole +c1ccc2c(c1)C(=NC2=O)N ZS7 3-amino-1h-isoindol-1-one +CC#CCCCCC[C@@](C)(C(=O)O)N ZS8 (2s)-2-amino-2-methyldec-8-ynoic acid +c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N ZSA (2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide +CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C ZSC 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N ZSD 6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine +CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N ZSG (8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide +CSc1ccc(cc1)CNCCO ZSJ 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol +c1cc(ccc1CSC(=N)N)CSC(=N)N ZSM (1,4-phenylene)bis(methylene) dicarbamimidothioate +C(C(=O)N)N(C(=O)O)N ZSN 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F ZSO 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole +C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O ZSP 2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one +[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl ZSS (1r)-1-(4-chlorophenyl)ethyl carbamimidothioate +c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O ZST 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid +COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O ZSV (r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium +CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O ZSW (r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium +c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4 ZSY n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide +C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4 ZT0 (4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium +CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C ZT1 n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine +c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4 ZT2 5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O ZT4 5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O ZTD methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate +CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O ZTH (s)-1'-(2',3'-dihydroxypropyl)-thymine +c1cc(c(c(c1)F)F)O ZTN 2,3-bis(fluoranyl)phenol +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C ZTP (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +c1cc(ccc1c2cc3ccc(cc3s2)O)O ZTW raloxifene core +CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C ZTX 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one +C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C ZU0 o-tert-butyl-l-threonine +CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2 ZU3 n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide +CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl ZU4 1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C ZU5 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide +c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl ZUF ~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl ZUI 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1cnc(nc1)CCC[C@H](C(=O)O)N ZUK 5-pyrimidin-2-yl-d-norvaline +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O ZUN (4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4 ZUQ n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide +CN1c2c3c(c[nH]c3ncn2)C(=N1)N ZVO 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6 ZVP 7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVS n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl ZVT 2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVU n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F ZVV n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F ZVW n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F ZVX 2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O ZVY 2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid +CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N ZVZ 2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide +c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O ZW2 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3 ZW3 n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide +CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate +CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4 ZWP 3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O ZWZ (2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol +C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX0 (3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX1 (3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O ZX5 3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O ZX6 2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O ZX7 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O ZX8 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O ZX9 (2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O ZXA n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O ZXB (2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol +c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2 ZXC n-(9h-purin-6-yl)thiophene-2-carboxamide +CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O ZXD (2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br ZXG 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate +c1cc(ccc1CN)I ZXI 1-(4-iodophenyl)methanamine +B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O ZXM 1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O ZXU n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N ZXW 5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C ZXX methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate +c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O ZXY n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide +CC1=CC(=O)N(c2c1cccc2)C ZXZ 1,4-dimethylquinolin-2(1h)-one +CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O ZY0 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide +CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZY1 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C ZY2 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide +CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O ZY3 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide +CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O ZY4 n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide +COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O ZY5 4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol +c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3 ZY6 1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 ZY7 (3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(nc(c1)C(=O)O)CN ZY9 6-(aminomethyl)pyridine-2-carboxylic acid +CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2 ZYA benzoyl-tyrosine-alanine-fluoro-methyl ketone +c1cc(ccc1/C(=N/O)/N)F ZYB 4-fluorobenzamidoxime +CCOC(=O)/C=C/c1ccc(c(c1)OC)O ZYC ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O ZYD (1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol +CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZYE n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O ZYF (9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O ZYG 9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid +c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6 ZYH (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone +c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3 ZYI n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide +COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O ZYJ (4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline +COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O ZYK (4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline +CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O ZYL 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O ZYM 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid +CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C ZYN 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C ZYO (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione +c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1 ZYP 5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide +CC(=O)Nc1nc2c(s1)C(=O)NCCC2 ZYQ n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide +C1CCc2c(c3c(s2)N=CNC3=O)C1 ZYR 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N ZYS [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone +CSc1[nH]c(c(n1)O)Cc2cccs2 ZYT 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol +c1[nH]c2c(n1)c(ncn2)N3CCOCC3 ZYU 6-morpholin-4-yl-9h-purine +c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN ZYV 1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine +c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN ZYW 1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +c1cc(ccc1CCN)S(=O)(=O)N ZYX 4-(2-aminoethyl)benzenesulfonamide +C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C ZYY n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC ZYZ (4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid +c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O ZZ0 2-(4-chloro-phenylamino)-nicotinic acid +CC1=CC(=O)Oc2c1cccc2 ZZ1 4-methyl-2h-chromen-2-one +Cc1cc(nc(n1)N)OCCOC ZZ2 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine +Cc1nc(nc(n1)SC)N ZZ3 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N ZZ4 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine +CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N ZZ5 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide +CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl ZZ6 2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C ZZ7 (2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC(=O)Nc1ccccc1C(=O)O ZZ8 2-(acetylamino)benzoic acid +CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ZZ9 5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine +c1ccc(cc1)n2cc(cn2)C(=O)O ZZA 1-phenyl-1h-pyrazole-4-carboxylic acid +[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ZZB [(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O ZZC [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N ZZD s-trityl-l-cysteine +CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N ZZE 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile +Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N ZZF 4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide +Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC ZZG 4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine +c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O ZZH (2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid +CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O ZZI (2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide +C[C@@H](C(=O)N)NC ZZJ n^2^-methyl-l-alaninamide +c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N ZZK 4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide +c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F ZZL 4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid +CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N ZZM 1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N ZZN 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N ZZO 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC ZZP n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide +COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5 ZZQ 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide +c1([nH][n+]2c(n[nH]c2n1)N)N ZZR 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium +c1nc(nc(n1)N)N ZZS 1,3,5-triazine-2,4-diamine +Cc1ccc(c(c1)N)OC ZZT 2-methoxy-5-methylaniline +C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O ZZU (2s,3s)-3-hydroxyarginine +C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C ZZV n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO ZZW 9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C ZZX (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide +c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N ZZY 1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O ZZZ 6-formyltetrahydropterin diff --git a/graphein/Components-smiles-stereo-oe.smi b/graphein/Components-smiles-stereo-oe.smi new file mode 100644 index 000000000..09724db46 --- /dev/null +++ b/graphein/Components-smiles-stereo-oe.smi @@ -0,0 +1,37104 @@ + +COC(=O)O 000 methyl hydrogen carbonate +COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F 001 1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO 002 n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C 003 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc(cc1)[C@@H](C(=O)O)N 004 (2s)-amino(phenyl)ethanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N 005 (2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 006 (4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)C2(CCCC2)CN 007 1-methylamine-1-benzyl-cyclopentane +c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N 008 (s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O 009 (4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide +c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl 00A 5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine +CC1([C@H](NCS1)C(=O)O)C 00B (4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C([C@H](C(=O)O)N)S(=O)(=O)O 00C 3-sulfo-d-alanine +C[C@H](C(C)(C)C)N 00D (2r)-3,3-dimethylbutan-2-amine +C1COCCN1CC(=O)O 00E morpholin-4-ylacetic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O 00F (2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3 00G 5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole +c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O 00H 3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid +[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N 00I n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine +Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC 00J n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N 00K (1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N 00L (1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N 00M (2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N 00N (1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N 00O beta-phenyl-d-phenylalanine +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N 00P (5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N 00Q d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N 00R (5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(/c1ccc(cc1)CN)\N 00S 4-(aminomethyl)benzenecarboximidamide +c1cc(c(cc1Cl)CN)CN 00T (4-chlorobenzene-1,2-diyl)dimethanamine +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N 00U (1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid +C(CCN)C[C@@H]([C@@H](C(=O)O)O)N 00V (2s,3s)-3,7-diamino-2-hydroxyheptanoic acid +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N 00W 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid +c1ccc2c(c1)C[C@H]([C@H]2N)O 00X (1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol +c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O 00Y 1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine +c1ccc(cc1)CO 010 phenylmethanol +C(CCCN)CCC(=O)O 011 7-aminoheptanoic acid +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O 012 (4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide +c1c(scn1)COC(=O)O 013 1,3-thiazol-5-ylmethyl hydrogen carbonate +c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O 014 1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N 015 (2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 016 (4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N 017 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2 018 2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline +CC(C)c1nc(cs1)CN(C)C(=O)O 019 methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O 01A 4-chlorophenacyl-coenzyme a +c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N 01B (2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N 01C (4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C 01E (2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide +CCOC(=O)O 01F ethyl hydrogen carbonate +C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N 01G 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) +C(CCNN)CN 01H 4-hydrazinylbutan-1-amine +c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O 01I naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O 01J n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine +CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N 01K [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate +B([C@H](CCCOC)N)(O)O 01L [(1r)-1-amino-4-methoxybutyl]boronic acid +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O 01M (3s)-1-carbamimidoylpiperidine-3-carboxylic acid +C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O 01N n-(carboxymethyl)-3-cyclohexyl-d-alanine +[H]/N=C(\c1cc(cn1C)CN)/N 01O 4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4 01P n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine +[H]/N=C(\c1ccc(n1C)CN)/N 01Q 5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +c1cnccc1NCCN 01R n-(pyridin-4-yl)ethane-1,2-diamine + 01S n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide +CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid +c1cc2c(cc1N)sc(n2)N 01U 1,3-benzothiazole-2,6-diamine +c1cc(c(cc1Cl)CN)Cl 01V 1-(2,5-dichlorophenyl)methanamine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+] 01W (2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate +c1cc(c(cc1Cl)CN)OCC(=O)O 01X [2-(aminomethyl)-4-chlorophenoxy]acetic acid +C1CCC(C1)OCC(=O)O 01Y (cyclopentyloxy)acetic acid +C1CCC(CC1)OCC(=O)O 01Z (cyclohexyloxy)acetic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F 020 n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline +C1CCC(C1)NCC(=O)O 021 n-cyclopentylglycine +Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N 022 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid +C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O 023 n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide +c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 024 4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid +c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F 025 3-(trifluoromethyl)benzenesulfonic acid +C1CN(CCN1)CCCN 026 3-(piperazin-1-yl)propan-1-amine +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C 027 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one +CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 028 (1-hydroxyheptane-1,1-diyl)bis(phosphonic acid) +[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O 029 cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid +C1CN[C@@H]1C(=O)O 02A (2s)-azetidine-2-carboxylic acid +Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC 02B 4-methoxy-2,3,6-trimethylbenzenesulfonic acid +[H]/N=C(/c1csc(n1)CN)\N 02C 2-(aminomethyl)-1,3-thiazole-4-carboximidamide +[H]/N=C(/c1ccc(s1)CN)\N 02D 5-(aminomethyl)thiophene-2-carboximidamide +CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2 02E (e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine +COCCC[C@@H](N)P(=O)(O)O 02F [(1s)-1-amino-4-methoxybutyl]phosphonic acid +C(CS)/C=C/[C@H](CC(=O)O)O 02G (3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N 02H (2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol +c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N 02I (6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +Cc1cc(no1)C(=O)O 02J 5-methyl-1,2-oxazole-3-carboxylic acid +C1CCC(CC1)(C(=O)O)N 02K 1-aminocyclohexanecarboxylic acid +CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N 02L n-(2,2-dimethylpropyl)-l-asparagine +Cc1ccc(cc1)CN 02N 1-(4-methylphenyl)methanamine +CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N 02O 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine +C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 02P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide +Cc1ccccc1CCC(=O)O 02Q 3-(2-methylphenyl)propanoic acid +c1ccc(c(c1)CN)Cl 02R 1-(2-chlorophenyl)methanamine +c1ccc(cc1)COc2ccc(cc2)C(=O)O 02S 4-(benzyloxy)benzoic acid +Cc1ccsc1CN 02T 1-(3-methylthiophen-2-yl)methanamine +CCC(C)CCCC=CCCCCCCCC(=O)O 02U 14-methylhexadec-9-enoic acid +CN[C@@H](c1ccc(c(c1)O)O)C(=O)O 02V (2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid +Cc1nc2ccccc2n1CCN 02W 2-(2-methyl-1h-benzimidazol-1-yl)ethanamine +CC(C)[C@H](CC(=O)O)C(=O)O 02X (2s)-2-(propan-2-yl)butanedioic acid +C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N 02Y 6-diazonio-5-oxo-l-norleucine +c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N 02Z 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide +C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O 030 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O 031 (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F 032 n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3 033 n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O 034 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 035 (2s)-2,7-bis(phosphonooxy)heptanoic acid +C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 036 (2r)-2,7-bis(phosphonooxy)heptanoic acid +C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O 037 (1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid +CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N 038 3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid +COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4 039 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one +CCCC(C(=O)C(=O)NC1CC1)N 03A (3s)-3-amino-n-cyclopropyl-2-oxohexanamide +Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O 03B 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid +Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N 03C [5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O 03D (2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide +C1CCCC(CC1)(C(=O)O)N 03E 1-aminocycloheptanecarboxylic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 03F (9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C 03G n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +CC(C)C[C@@H](C(=O)O)Cl 03H (2s)-2-chloro-4-methylpentanoic acid +C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C 03I (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O 03J 3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid +c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3 03K n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide +c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O 03L 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid +Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl 03M (5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione +[H]/N=C(\N)/N1CCC(CC1)CN 03N 4-(aminomethyl)piperidine-1-carboximidamide +CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O 03O 4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O 03P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide +c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F 03Q 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N 03R 2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid +CS(=O)(=O)O 03S methanesulfonic acid +c1ccc2c(c1)cc(s2)S(=O)(=O)N 03T 1-benzothiophene-2-sulfonamide +CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O 03U methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate +c1ccc2cc(ccc2c1)O 03V naphthalen-2-ol +C([C@H](C(O)O)O)O 03W (2r)-propane-1,1,2,3-tetrol +CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC 03X n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C[C@](CS)(C(=O)O)N 03Y 2-methyl-l-cysteine +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 03Z 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +Cc1ccccc1C(=O)CC(=O)C(=O)O 040 4-(2-methylphenyl)-2,4-dioxobutanoic acid +C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O 041 2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 042 n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine +c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O 043 4-(3-bromophenyl)-2,4-dioxobutanoic acid +CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 044 n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O 045 beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 046 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide +Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4 047 1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O 048 n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide +CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O 049 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol +c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4 04A n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O 04B 2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O 04C 1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol +C[C@H](CO)[C@H]([C@H](CC(C)C)N)O 04D (2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol +C(C(=O)O)I 04E iodoacetic acid +C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N 04F (1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2 04G 7-hydroxy-3h-phenoxazin-3-one +[H]/N=C(\N)/N1CCC[C@H](C1)CN 04H (3s)-3-(aminomethyl)piperidine-1-carboximidamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N 04J aminopterin +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C 04K 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5 04L 2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide +CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3 04M 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04N 2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04O 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose +[H]/N=C(\N)/N1CCC[C@H](C1)CO 04P (3r)-3-(hydroxymethyl)piperidine-1-carboximidamide +c1ccc(cc1)CNCC(=O)O 04Q n-benzylglycine +C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1 04R [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid +C1CNC[C@@H]1N 04S (3r)-pyrrolidin-3-amine +CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C 04T n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide +C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N 04U azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium +[H]/N=C(/[C@@H]1CCCN1)\O 04V (2s)-pyrrolidine-2-carboximidic acid +CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-] 04W 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid +C1COCCN1CC2=CC[C@H](NC2)C(=O)O 04X (2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid +c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4 04Y n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 04Z 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O 051 (1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid +Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6 052 n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 053 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O 054 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl 055 (2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid +c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl 056 3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid +CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3 057 n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl 058 1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 059 (2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2 05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3 05C 7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C 05D n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3 05F 4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3 05I 4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O 05J 1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 05L heptyl 1-seleno-beta-d-glucopyranoside +CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4 05M 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione +C[C@H]1[C@H](CN[C@@H]1C(=O)O)O 05N (3r,4r)-4-hydroxy-3-methyl-l-proline +c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F 05O (2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal +c1cc(c(cc1CC(=O)O)Cl)Cl 05R 2-(3,4-dichlorophenyl)ethanoic acid +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N 05S (6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +[H]/N=C(\N)/NC1CCC(CC1)CN 05T 1-[4-(aminomethyl)cyclohexyl]guanidine +CC(C)C[C@@H]([C@H](C(C)C)O)N 05U (3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol +C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O 05W (2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol +CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F 05X 2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide +CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3 05Y ~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide +CSC[C@H](C(=O)O)N 060 s-methyl-d-cysteine +CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O 061 2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one +c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-] 062 3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide +C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5 063 4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 064 3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 065 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate +Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C 066 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide +c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 067 p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 068 (3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid +c1cc(cc(c1)O)C(=O)NO 069 n,3-dihydroxybenzamide +C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 06A 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +COc1ccc(c(c1C(=O)O)OC)Br 06B 3-bromo-2,6-dimethoxybenzoic acid +CI 06C iodomethane +CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC 06D 1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one +c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br 06E 6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O 06F 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N 06H (6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O 06I 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N 06J (3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide +CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C 06M 6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +CCCNc1nn2c(cnc2s1)c3ccc(cc3)O 06N 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol +C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 06P d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F 06R 2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N 06S o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N 06T (5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3 06U 6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3 06V 6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3 06W 6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN 06X amlodipine +c1ccc(cc1)OCC(=O)O 06Y 2-phenoxyethanoic acid +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N 06Z {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone +c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O 070 (1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol +Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C 071 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O 072 (+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine +COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 073 (4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid +CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O 074 [propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C 075 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4 076 (s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 077 (3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid +c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N 078 (2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3 079 (s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O 07B dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate +CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] 07C 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C 07D trans-geranyl bacteriochlorophyll a +C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O 07E (3s)-3-hydroxybutyl beta-d-xylopyranoside +CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4 07F 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one +CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O 07G 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium +c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5 07H [4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C 07I spliceostatin e (form i) +CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl 07J 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea +Cc1cccc2c1nccc2N 07K 8-methylquinolin-4-amine +c1cc2c(cc1O)OC(=O)C=C2 07L 7-hydroxy-2h-chromen-2-one +c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3 07M 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl 07N 2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid +C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N 07O s-[(2s)-2-phenylpropanoyl]-l-cysteine +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O 07P n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide +C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3 07Q 1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3 07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5 07S 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone +Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C 07T 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N 07U 2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine +CC1=CC[C@H](CC1=O)C(=C)C 07V (5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O 07Y (2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N 07Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid +C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC 082 (5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione +Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C 083 4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide +C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F 084 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine +c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5 085 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide +Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl 087 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O 088 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C 08A (3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br 08B 4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 08C 2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one +Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N 08D sulfamethoxazole +c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 08E 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O 08F 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO 08G 1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea +Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl 08H 8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine +CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C 08I trans-geranyl bacteriopheophytin a +Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl 08J 8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine +Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl 08K 8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4 08L (2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid +c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N 08M n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine +C([C@H](C(=O)O)NC(=O)C(=O)O)S 08P n-(carboxycarbonyl)-d-cysteine +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O 08Q 5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC 08R 6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl 08S 3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide +[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F 08T [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium +C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O 08U 2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C 08W n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide +c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4 08X (2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide +CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O 08Y bromoergocryptine +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N 08Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide +COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4 090 n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide +c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2 091 (3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one +COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O 092 methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl 093 n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide +c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl 094 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2 095 tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O 096 (2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C 097 (2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O 098 (3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O 099 (2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O 09A benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2 09B 4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br 09C (3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2 09D (4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2 09E (4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2 09F 1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2 09G 3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5 09H 2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N 09I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide +CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5 09J 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide +c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F 09K n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F 09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O 09M (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O 09N (11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +c1cc(cnc1)N2CCCNCC2 09O 1-(pyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1)N2CCCNCC2 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane +c1ccc(cc1)c2cc(cnc2)N3CCCNCC3 09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane +c1cc(ncc1N2CCCNCC2)Br 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1Br)N2CCCNCC2 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane +Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl 09T 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole +COCC1CC1 09U (methoxymethyl)cyclopropane +C1CC1CO 09V cyclopropylmethanol +C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O 09X 2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N 09Z [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N 0A l-adenosine-5'-monophosphate +C[C@](CC(=O)O)(C(=O)O)N 0A0 2-methyl-l-aspartic acid +COc1ccc(cc1)C[C@@H](C(=O)O)N 0A1 o-methyl-l-tyrosine +[B-]([C@H](CCCCN)N)(O)(OCC)OCC 0A2 [(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O 0A3 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 0A4 (2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C(CC(=O)O)CBr 0A5 4-bromobutanoic acid +CCOC(=O)[C@@H](CC(=O)O)O 0A6 (3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid +c1ccc(c(c1)CC(=O)O)C(=O)O 0A7 2-(carboxymethyl)benzoic acid +C(CCl)NC(=O)SC[C@@H](C(=O)O)N 0A8 s-[(2-chloroethyl)carbamoyl]-l-cysteine +COC(=O)[C@H](Cc1ccccc1)N 0A9 methyl l-phenylalaninate +CC(C)[C@@H](C(=O)OC)N 0AA methyl l-valinate +C[C@H]1C=COC(=O)[C@H]1N 0AB (3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N 0AC (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 0AD 2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O 0AE (3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol +c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N 0AF 7-hydroxy-l-tryptophan +CCOC(=O)N[C@@H](CC(C)C)C(=O)O 0AG n-(ethoxycarbonyl)-l-leucine +C([C@@H](C(=O)O)N)OC(=O)CBr 0AH o-(bromoacetyl)-l-serine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O 0AI methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid +CCS[C@H](C)SC 0AJ (1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane +C(CCl)OC(=O)C[C@@H](C(=O)O)N 0AK (2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O 0AL 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0AM 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)cccc2C[C@@H](C=O)N 0AO (2s)-2-amino-3-naphthalen-1-ylpropanal +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O 0AP 2'-deoxycytidine 3',5'-bis(dihydrogen phosphate) +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C 0AR n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 0AS asiatic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 0AT 2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I 0AU 5-iodouridine 5'-(dihydrogen phosphate) +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 0AV 2'-o-methyladenosine 5'-(dihydrogen phosphate) +B([C@H](CCCCN)N)(OCC)OCC 0AY diethyl [(1r)-1,5-diaminopentyl]boronate +C1[C@H](CN[C@H]1C(=O)O)O 0AZ (4r)-4-hydroxy-d-proline +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC 0B1 2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N 0B2 (2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2 0B3 (6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one +C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3 0B4 (6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one +C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF 0B5 ~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 0B6 ~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O 0BA 2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O 0BB 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C 0BC ~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide +CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O 0BD 3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside +[Be+2] 0BE beryllium +c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O 0BH n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O 0BI (4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC 0BJ methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate +C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C 0BK n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C 0BM n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N 0BN 4-carbamimidoyl-l-phenylalanine +c1ccnc(c1)c2ccccn2 0BP 2,2'-bipyridine +c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3 0BQ 5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O 0BR (4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O 0BT 1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 0BU 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid +c1ccc2c(c1)cc(c3c2cccc3)CC=O 0BV phenanthren-9-ylacetaldehyde +CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC 0BW methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate +c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0BX 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0C l-cytidine-5'-monophosphate +c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O 0C0 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid +CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O 0C1 6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O 0C2 (3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C3 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl 0C7 n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F 0C8 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C9 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid +[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N 0CA 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid +[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O 0CB {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid +C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C 0CC andiconin d +CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7 0CE 2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one +C#CCOP(=O)(O)OP(=O)(O)O 0CG prop-2-yn-1-yl trihydrogen diphosphate +C(CCOP(=O)(O)OP(=O)(O)O)CO 0CH 4-hydroxybutyl trihydrogen diphosphate +CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4 0CI 5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC(=O)CCCOP(=O)(O)OP(=O)(O)O 0CJ 4-oxopentyl trihydrogen diphosphate +c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F 0CK 4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C(CCl)CCl 0CL 1,3-dichloropropane +CC#CCOP(=O)(O)OP(=O)(O)O 0CM but-2-yn-1-yl trihydrogen diphosphate +C=C=CCOP(=O)(O)OP(=O)(O)O 0CN buta-2,3-dien-1-yl trihydrogen diphosphate +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C 0CO (1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4 0CP 5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 0CR momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a +C([C@@H](C(=O)O)N)[S@@](=O)OO 0CS 3-[(s)-hydroperoxysulfinyl]-l-alanine +c1ccc2c(c1)[nH]nn2 0CT 1h-benzotriazole +c1c(cc(c2c1nn[nH]2)Cl)Cl 0CU 5,7-dichloro-1h-benzotriazole +Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC 0CV 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline +CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O 0CX (2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione +c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O 0D1 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol +c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4 0D2 (4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone + 0D3 n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3 0D6 n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide +C(CN)CO 0D8 3-aminopropan-1-ol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N 0DA 2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate + 0DB n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O 0DC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CN1c2cc(cnc2NC1=O)c3ccccc3 0DF 1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 0DG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N 0DI (2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one +CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N 0DJ 3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O 0DN 5'-deoxy-5'-fluorothymidine +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C 0DO (2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide +c1ccc(cc1)c2c(snn2)N 0DQ 4-phenyl-1,2,3-thiadiazol-5-amine +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N 0DS n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O 0DT 2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate +CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F 0DU n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO 0DV (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8 0DX 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone + 0DY n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide +CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2 0E0 (3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1 0E1 (7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile +CC[C@](C)([C@@H](C(=O)O)N)O 0E5 (2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid +c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2 0E6 amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium +[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC 0E7 methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0E8 di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate + 0E9 benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate +CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O 0EA (betar)-beta,3-dihydroxy-n-methyl-l-tyrosine +COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 0EC 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine + 0ED n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C 0EF n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide + 0EG n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide +CCCCCCC[C@](C)(C(=O)O)N 0EH (2r)-2-amino-2-methylnonanoic acid +Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C 0EI 4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide +C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 0EJ (2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid + 0EK 6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine + 0EL 6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine + 0EM n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3 0EN n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0EO (2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid +Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O 0ER methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate +CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 0ET [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate +CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C 0EU 1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0EV 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C 0EW n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide +c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N 0EX 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O 0EY 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 0EZ tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate +CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4 0F0 3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc2c(cc1Cl)sc(c2Cl)C(=O)O 0F1 3,6-dichloro-1-benzothiophene-2-carboxylic acid +CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O 0F2 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol +c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N 0F3 4-(sulfamoylamino)benzenesulfonamide +c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F 0F4 1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4 0F5 (5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione + 0F7 n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +c1cc(c(cc1Cl)c2cc[nH]n2)O 0F9 4-chloro-2-(1h-pyrazol-3-yl)phenol +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O 0FA n~2~-phosphono-l-leucinamide +CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N 0FG d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide +c1ccc(cc1)NC=S 0FI n-phenylthioformamide +c1cc2ccc(nc2c(c1)O)C(=O)N 0FK 8-hydroxyquinoline-2-carboxamide +C([C@@H](C(=O)O)NC=O)N 0FL 3-amino-n-formyl-l-alanine +c1ccc2c(c1)C(=O)C(C2=O)C#N 0FN 1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile +c1cc2c(cc1Br)C(=CC(=O)O2)O 0FO 6-bromo-4-hydroxy-2h-chromen-2-one +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O 0FP n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O 0FQ phenacyl coenzyme a +c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3 0FR furan-2-yl(1h-indol-3-yl)methanone +c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2 0FS (5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione +CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O 0FT 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +c1(c(nc(nc1O)N)N)N 0FU 2,5,6-triaminopyrimidin-4-ol +CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C 0FV (2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O 0FW 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N 0FX dtdp-4-amino-4,6-dideoxyglucose +Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F 0FY 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium +COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N 0FZ 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 0G l-guanosine-5'-monophosphate +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F 0G0 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O 0G1 3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O 0G2 3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F 0G3 n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F 0G4 [[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N 0G5 n~5~-(3-iodobenzoyl)-l-ornithine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0G6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N 0G7 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 0G8 [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O 0GA 3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid +Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F 0GD 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine +[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 0GE n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide +Cc1cc(ccc1Br)C(=O)O 0GF 4-bromo-3-methylbenzoic acid +COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N 0GG 3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C 0GH n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N 0GJ l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide +CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O 0GM n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide +CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0GO (2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide +CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O 0GQ 4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3 0GR n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan +CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F 0GS (3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F 0GT (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F 0GU (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C 0GV (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one +CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3 0GW 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br 0GX {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone +C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O 0GY (1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid +C1=C(C=C(OC1=O)C(=O)O)C(=O)O 0GZ 2-oxo-2h-pyran-4,6-dicarboxylic acid +CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O 0H0 carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O 0H2 [1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC 0H3 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one +Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F 0H4 (2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide +Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC 0H5 6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine +c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F 0H6 6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid +c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl 0H7 (3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O 0H8 n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide +COc1ccc(cc1)CNCCS(=O)(=O)O 0H9 2-[(4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3 0HD 1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br 0HG n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine +CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0HH l-gamma-glutamyl-s-nonyl-l-cysteinylglycine +CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 0HJ 6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C 0HK (1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane +[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N 0HL 4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide +c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O 0HM 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium +c1cc2c(cc1C(=O)O)OCO2 0HN 1,3-benzodioxole-5-carboxylic acid +c1cc2c(cc1C(=O)O)nsn2 0HO 2,1,3-benzothiadiazole-5-carboxylic acid +C=[N+]=[N-] 0HQ diazomethane +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O 0HT methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate +c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O 0HV 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC 0HW n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C 0HX pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0HY methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate + 0HZ amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium +C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C 0I3 andilesin c +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2 0I5 n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F 0IM 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cc2ccc(c(c2nc1)O)Cc3cccnc3 0IN 7-(pyridin-3-ylmethyl)quinolin-8-ol +C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C 0IP terretonin c +c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O 0IT amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium + 0IU (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0IV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4 0IW nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O 0IZ 3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C 0J0 (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane +CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC 0J1 (2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate +C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0J2 (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2 0J3 3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine +C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J4 (2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J5 (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid +c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4 0J6 n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide +c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4 0J7 3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5 0J8 n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N 0J9 1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6 0JA 2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4 0JB n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide +C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3 0JC di-mu-iodobis(ethylenediamine)diplatinum(ii) +c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD (2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F 0JE 3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea +Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC 0JF (3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC 0JG methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C 0JH tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate +Cc1c(nnn1c2ccccc2)C(=O)O 0JI 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid +Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC 0JJ 7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine +c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O 0JK 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O 0JL 3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C 0JM (2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid +CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N 0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O 0JO 2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid +COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 0JP 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline +Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC 0JQ 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O 0JR (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide +CC(C)[C@@H](CCC(=O)O)N 0JT (4r)-4-amino-5-methylhexanoic acid +[H]/N=C\[C@H](CCC(=O)N)N 0JU (4s,5z)-4-amino-5-iminopentanamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC 0JV methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate +c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O 0JW (2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile +C(COP(=O)(O)OP(=O)(O)O)/C=C/O 0JX (3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate +CC(C)(C)C[C@@H](C(=O)O)N 0JY 4-methyl-l-leucine +CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 0JZ (4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N 0K0 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide +Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N 0K1 3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide +C(CC=O)COP(=O)(O)OP(=O)(O)O 0K2 4-oxobutyl trihydrogen diphosphate +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C 0K3 (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O 0K5 (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N 0K6 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +Cc1ccc(cc1)c2nc(cs2)C(=O)O 0K7 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12 0K8 ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione +C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0K9 (2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45 0KA silver/iron/sulfur cluster +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O 0KB [2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O 0KC {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4 0KD n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O 0KE (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5 0KF n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide +c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O 0KG {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O 0KH (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4 0KJ [(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3 0KK (2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0KL 5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate) +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC 0KM (2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one +C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0KN (2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide +Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C 0KO 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4 0KP (2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4 0KQ (2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4 0KR (2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one +CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2 0KS n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide +CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3 0KT n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO 0KU n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0KV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO 0KW n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 0KX 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine +CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S 0KY 3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O 0KZ [(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O 0L0 (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C(CCC(=O)O)CC(=O)O 0L1 hexanedioic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO 0L3 7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN 0L4 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L5 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L6 5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN 0L7 2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O 0L8 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC 0L9 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid +C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O 0LA (2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F 0LB (1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide +c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N 0LC (1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O 0LD (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O 0LF (4r)-4-(4-phenylbutoxy)-l-proline +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O 0LG n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)ccn2CCN 0LH 2-(1h-indol-1-yl)ethanamine +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide +[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LJ n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LK n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N 0LL n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C 0LM n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide +CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C 0LN 13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide +c1ccc(cc1)c2cc(cnc2)C(=O)O 0LO 5-phenylpyridine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O 0LP 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid +c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6 0LQ (4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3 0LR (3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine +c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl 0LS n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline +CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 0LT n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O 0LU (2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CC1(Cc2cccc(c2O1)CO)C 0LV (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol +c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O 0LW (2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F 0LX (2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C 0LY n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LZ n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide +CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C 0M1 n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide +C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O 0M2 (2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4 0M3 (3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl 0M4 n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide +c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl 0M5 n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide +CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1 0M6 n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide +CCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M7 [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M8 [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCNCC(P(=O)(O)O)P(=O)(O)O 0M9 [2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C 0MA maslinic acid +c1ccc(cc1)c2nc(sn2)N3CCCNCC3 0MB 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MC {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MD {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4 0ME (3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5 0MF n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide +C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N 0MG amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5 0MH n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O 0MI 1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5 0MJ (3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 0MK beta-l-ribopyranose +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N 0ML (2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide +Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] 0MM [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone +COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3 0MN n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide +CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2 0MO (4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one +CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O 0MP n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide +C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O 0MQ [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5 0MR n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide +Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br 0MS [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone +c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O 0MT 4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid +CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N 0MU (2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3 0MV (3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +CCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0MW [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5 0MX n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N 0MY n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide +c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O 0MZ 2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC 0N0 (3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0N1 (4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O 0N2 (2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O 0N3 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O 0N4 [({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 0N5 n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4 0N6 (r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 2-hydroxyisoquinoline-1,3(2h,4h)-dione +c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O 0N8 (2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O 0N9 5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O 0NA [({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O 0NB [({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +C[C@@H](C(=O)NC)N 0NC n-methyl-l-alaninamide +B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O 0ND [({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O 0NE [({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid +CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N 0NF (2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide +B(CNS(=O)(=O)CCl)(O)O 0NG ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid +CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3 0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C 0NI aurachin d +COc1ccc2c(c1)sc(n2)c3ccccc3F 0NJ 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole +CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC 0NK 6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine +CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3 0NL tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate +C(#N)O 0NM cyanic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4 0NN 1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F 0NP 2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine +CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C 0NQ n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide +COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N 0NR methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate +CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC 0NS 2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide +CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NT [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone +c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N 0NU 3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile +c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NV 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N 0NW 3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide +c1ccc(cc1)c2cc(no2)CO 0NX (5-phenyl-1,2-oxazol-3-yl)methanol +Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC 0NY 7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine +C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 0NZ 2-deoxy-6-o-phosphono-beta-d-glucopyranose +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N 0O1 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N 0O2 guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) +C=C(CCOP(=O)(O)OP(=O)(O)O)CO 0O3 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate +c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4 0O4 4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4 0O5 4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC 0O6 (3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide] +CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C 0O7 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide +CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C 0O8 (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate +CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC 0O9 (2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate +CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC 0OA (1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate +c1ccc2c(c1)cc(s2)CCC(=O)O 0OB 3-(1-benzothiophen-2-yl)propanoic acid +CN(C)S(=O)(=O)c1ccsc1 0OC n,n-dimethylthiophene-3-sulfonamide +CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C 0OD trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) +c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O 0OE 4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid +CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F 0OF (3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C 0OG 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 0OH north-methanocarba-2'-deoxyadenosine triphosphate +CNC(=O)Nc1ccccc1F 0OI n-(2-fluorophenyl)-n'-methylurea +c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N 0OJ south-methanocarba-2'-deoxyadenosine triphosphate +c1ccc(cc1)N2C=Nc3ccccc3C2=O 0OK 3-phenylquinazolin-4(3h)-one +c1ccc(cc1)C(=O)N2CCCCC2 0OL phenyl(piperidin-1-yl)methanone +c1ccc(cc1)COC(=O)c2cccnc2 0OM benzyl pyridine-3-carboxylate +c1ccc(cc1)NC(=O)c2cccnc2 0ON n-phenylpyridine-3-carboxamide +c1ccc(cc1)Oc2cccc(c2)CO 0OO (3-phenoxyphenyl)methanol +c1ccc(cc1)COc2cccc(c2)CO 0OP [3-(benzyloxy)phenyl]methanol +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F 0OQ (1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O 0OR n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide +COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl 0OS {3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0OT 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl 0OU 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one +C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N 0OV [4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile +C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N 0OW 4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide +c1c(c(nc(n1)OC2CCCC2)N)C(=O)N 0OX 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide +c1cc(ccc1C(=O)N2CCOCC2)O 0OY (4-hydroxyphenyl)(morpholin-4-yl)methanone +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] 0P0 n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine +C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 0P1 n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide +B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O 0P2 n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl 0P4 n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine +COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4 0P5 4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one +c1cc2ccc(nc2c(c1)O)N 0P6 2-aminoquinolin-8-ol +COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0P8 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +C1CCC(C1)CC(=O)O 0PA cyclopentylacetic acid +C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 0PC nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide +CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C 0PF 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide + 0PI n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine + 0PJ n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine + 0PK n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl 0PL (3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4 0PO n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide +CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C 0PP (2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide +c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O 0PQ n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O 0PR n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C 0PX n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide +c1ccncc1 0PY pyridine +CCCC[C@@H]1CO1 0PZ (2r)-2-butyloxirane +Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O 0Q1 (1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol +Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3 0Q2 (1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol +CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N 0Q4 n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide +CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C 0Q5 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide +c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N 0Q6 4-[(3-bromophenyl)methoxy]benzamide +CN(CCCC(=O)c1cccnc1)N=O 0QA 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one + 0QB (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +CCl 0QE chloromethane +CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3 0QF n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide + 0QG 3-methyl-l-valyl-l-prolyl-l-isoleucine + 0QH (1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium +CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O 0QI o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 0QJ 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 0QK 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C(CSSC[C@@H](C(=O)O)N)N 0QL 3-[(2-aminoethyl)disulfanyl]-l-alanine + 0QN n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F 0QQ n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide +c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N 0QR n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide +CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O 0QS n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O 0QV (4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione +c1ccc(c(c1)C(=S)N2CCCC2)O 0QW (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3 0QX 2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5 0QY n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide +C([C@H](C(=O)O)O)N 0QZ d-isoserine +c1ccc(c(c1)C#N)O 0R0 2-hydroxybenzonitrile +c1ccc2c(c1)cno2 0R1 1,2-benzisoxazole +CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R2 [(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid +CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R3 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F 0R4 n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide +C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R5 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R6 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 0R7 [[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O 0R8 [(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F 0R9 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid +c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O 0RA 3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid +c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N 0RB 2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O 0RC 5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O 0RD 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CCCC[C@@H](CO)O 0RE (2s)-hexane-1,2-diol +C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O 0RF (2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one +c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN 0RI orladeyo +C([C@@H](C(=O)O)N)NC=O 0RJ 3-(formylamino)-l-alanine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O 0RK 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 0RM (2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C 0RN sulbactam +CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C 0RO 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine +CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC 0RP ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate +CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0RQ [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate +c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl 0RR 3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid +CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6 0RS {5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C 0RT 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc2c1NC(=NC2=O)CSc3ncccn3 0RU 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one +CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 0RV (2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid +Cc1c2ccccc2n[nH]1 0RW 3-methyl-2h-indazole +c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4 0RX 2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide +c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N 0RY (2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N 0RZ (2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N 0S0 4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C 0S1 n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C 0S2 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C 0S3 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0S4 n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O 0S5 n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C 0S6 methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate +Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br 0S7 5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br 0S8 5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br 0S9 5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine +CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 0SA undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F 0SB n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O 0SC 2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O 0SD 2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O 0SE 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O 0SF (2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O 0SG n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 0SH n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide +c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O 0SI 8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl 0SJ (1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F 0SK 8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one +c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O 0SL (3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O 0SM trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 0SN {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C 0SO tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0SP 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N 0SQ 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3 0SR 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C 0SS n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3 0ST 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO 0SU 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO 0SV 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea +c1ccc(cc1)CCNc2c3ccccc3ncn2 0SW n-(2-phenylethyl)quinazolin-4-amine +c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4 0SX 8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one +c1cnccc1c2cc3c([nH]2)CCNC3=O 0SY 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O 0SZ 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid +CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 0T0 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide +CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0T1 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate +CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 0T2 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide +c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3 0T3 4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F 0T4 3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F 0T5 3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC 0T6 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine +CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C 0T7 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline +c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 0T8 4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide +CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 0T9 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4 0TA 2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4 0TB 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +CS[C@@H]([C@@H](C(=O)O)N)C(=O)O 0TD (3s)-3-(methylsulfanyl)-l-aspartic acid +CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4 0TE chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper +C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N 0TF n~6~-d-ornithyl-l-lysine +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O 0TH n-(propylsulfonyl)-d-threonine +c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI (3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br 0TJ n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide +C(C[C@H](C(=O)OP(=O)(O)O)N)CN 0TK (2r)-2,5-diaminopentanoyl dihydrogen phosphate +CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC 0TM 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 0TN delta-ru(phen)2(dppz) complex +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl 0TO n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine +CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N 0TP 4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5 0TQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C1=CC=C(C(=O)C=C1)O 0TR 2-hydroxycyclohepta-2,4,6-trien-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O 0TS beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano syl-(1->4)-1-thio-beta-d-glucopyranose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O 0TT 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione +c1cc2c(cc1Cl)C=CC(=O)N2 0TU 6-chloroquinolin-2(1h)-one +CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl 0TX (4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine +Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 0TZ 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0U l-uridine-5'-monophosphate +Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5 0U0 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine +C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 0U1 2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0U3 n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O 0U4 n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C 0U5 (2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C 0U6 (2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl 0U7 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O 0U8 (1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol +C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 0U9 s-bicalutamide +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 0UA 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O 0UB beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose +c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br 0UC 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C 0UD n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN 0UE ferrioxamine b +CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC 0UF 3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O 0UH 2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate) +c1cc2c(cc1O)-c3ccsc3NC2=O 0UI 8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one +CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3 0UJ n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide +C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O 0UK 3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid +c1ccc(cc1)c2cn3c(cn2)nc(n3)N 0UL 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine +CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 0UM (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl 0UN n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N 0UO 4-methoxy-l-tryptophan +C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UP 4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol +C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UQ (5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide +C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5 0US n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide +c1ccc(cc1)C(c2ccccc2)(C(=O)O)O 0UT hydroxy(diphenyl)acetic acid +COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5 0UU methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate +CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O 0UV 4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide +c1ccc(cc1)C2=NNC(=O)N2 0UW 5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N 0UX 6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc(c(cc1[C@H](C(=O)O)N)Cl)O 0UZ (2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid +CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2 0V0 (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N 0V2 6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N 0V3 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC 0V4 (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside +C[C@H](C(=O)O)OP(=O)(O)O 0V5 (2r)-2-(phosphonooxy)propanoic acid +[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 0V6 (2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one +c1cc(cc(c1)F)CNCCS(=O)(=O)O 0V7 2-[(3-fluorobenzyl)amino]ethanesulfonic acid +c1cc(cc(c1)Br)CNCCS(=O)(=O)O 0V8 2-[(3-bromobenzyl)amino]ethanesulfonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC 0V9 (19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate +[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VA n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VB n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3 0VC 3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine +c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N 0VD (3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one +CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O 0VE 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol +COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3 0VF 4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid +C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5 0VG n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine +CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0VH 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide +COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O 0VJ 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione +CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VK 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F 0VM 2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile +CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N 0VN 2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile +CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO 0VO (4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol +CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VP 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol +CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO 0VQ (3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol +c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 0VR 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0VS l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine +CC(=CCCC(=O)C)C 0VT 6-methylhept-5-en-2-one +c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N 0VU 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide +c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2 0VV n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide +C1CNC(=NS(=O)(=O)N)NC1 0VW n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide +C1CO/C(=N\S(=O)(=O)N)/N1 0VX n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide +C1CCN(C1)/C(=N/S(=O)(=O)N)/N 0VY n'-sulfamoylpyrrolidine-1-carboximidamide +CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1 0VZ ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O 0W0 (4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid +Cc1c2cc(sc2n(n1)C)C(=O)O 0W1 1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid +C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6 0W2 1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea +C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O 0W3 (4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid +c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl 0W4 ~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +CC(C)CCCCC/C=C/C=C/C(=O)O 0W5 (2e,4e)-11-methyldodeca-2,4-dienoic acid +C[C@@H](CCC(=O)O)N 0W6 (4s)-4-aminopentanoic acid +c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3 0W7 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide +CCN1c2ccccc2NC1=O 0W8 1-ethyl-1,3-dihydro-2h-benzimidazol-2-one +c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O 0WA 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol +c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N 0WB 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile +C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O 0WC (2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N 0WD [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4 0WE n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5 0WF 1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F 0WH 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone +C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O 0WK 1,5-anhydro-6-o-phosphono-d-glucitol +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5 0WL 1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WM (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WN n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O 0WO (2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid +CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F 0WP 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide +CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O 0WR 2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol +c1c[nH]nc1c2cc(ccn2)C(=O)O 0WS 2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl 0WT (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC1=CC[C@@H](CC1=O)C(=C)C 0WU (5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +Cc1ccc(cc1O)C(=C)C 0WV 2-methyl-5-(prop-1-en-2-yl)phenol +c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0WW 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O 0WX 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N 0WY 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N 0WZ 3-(1h-pyrazol-1-yl)-l-tyrosine +Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC 0X0 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O 0X1 (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl 0X2 2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide +c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F 0X3 n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 0X5 2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3 0X6 2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +Cc1ccccc1CNc2c(nccn2)C(=O)N 0X7 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C 0X8 (~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N 0X9 n~2~-sulfamoyl-l-arginine +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O 0XA (4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3 0XB n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +[H]/N=C(\CCCCN)/C(=O)O 0XC (2e)-6-amino-2-iminohexanoic acid +[H]/N=C(\CCSC)/C(=O)O 0XD (2e)-2-imino-4-(methylsulfanyl)butanoic acid +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2 0XE 5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid +Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0XF 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide +CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O 0XG 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl 0XH 2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C/C(=C\COP(=O)(O)O)/c1ccccc1 0XI (2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate +CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C 0XJ (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCC(CC)(C(=O)O)N 0XL 2-amino-2-ethylbutanoic acid +c1ccc(cc1)C(c2ccccc2)N 0XM 1,1-diphenylmethanamine +c1cc(ccc1C(c2ccc(cc2)F)N)F 0XN 1,1-bis(4-fluorophenyl)methanamine +C[C@@](CCCCN)(C(=O)O)N 0XO 2-methyl-d-lysine +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F 0XP 2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C[C@@](CCCCCCN)(C(=O)O)N 0XQ (2r)-2,8-diamino-2-methyloctanoic acid +CCOC(=O)/C=C/c1ccc(c(c1)O)O 0XR ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br 0XS 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide +Cc1c(nc2c(n1)c(nc(n2)N)N)OC 0XT 7-methoxy-6-methylpteridine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N 0XU (2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid +Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C 0XV (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone +C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C 0XW (2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0XX n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O 0XY 5-fluoro-n-acetyl-alpha-d-glucosamine +c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl 0XZ 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N 0Y0 5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y1 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y2 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0Y3 n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C 0Y4 n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O 0Y5 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid +CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0Y7 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid +c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br 0Y8 (4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline +C=C[C@@H]1C[C@@]1(C(=O)O)N 0Y9 (1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid +C1CC1S(=O)(=O)N 0YA cyclopropanesulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O 0YB 2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cnc1)CN 0YC 1-(pyridin-3-yl)methanamine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O 0YD 3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid +c1ccc(cc1)c2cc(on2)CCC(=O)O 0YE 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)CCC(=O)O 0YF 3-(biphenyl-4-yl)propanoic acid +c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O 0YG n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC 0YH 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl 0YI 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C 0YJ 7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide +CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 0YK 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O 0YL (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid +Cc1c(csc1CCO)Cc2cnc(nc2N)C 0YN 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol +COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4 0YO 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br 0YP n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O 0YQ 2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) +C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O 0YR (2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide +c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O 0YS (5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline +CC(=O)NC1C(C(C(SC1O)CO)O)O 0YT 2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose +c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5 0YU n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide +c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN 0YV 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine +CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-] 0YW 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid +CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br 0YX (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid +CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O 0YY (2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid +CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O 0YZ (2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid + 0Z0 n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z1 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F 0Z2 n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z3 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z4 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0Z6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O 0Z7 n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1 0Z9 n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C 0ZA 3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one + 0ZB n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine + 0ZC (3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 0ZD n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N 0ZE [[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N 0ZG 3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide + 0ZI amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS 0ZJ n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O 0ZL n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 0ZN n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O 0ZO n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O 0ZP n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide +CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3 0ZQ n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZR n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZS n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZT n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO 0ZW n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide + 0ZX n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC 0ZY n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br 0ZZ 5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid +c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O 100 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N 101 2'-deoxy-adenosine 3'-monophosphate +c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N 102 gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O 103 2',5'-dideoxy-adenosine 3'-monophosphate +C(CNCCNCCN)N 104 n,n'-bis(2-aminoethyl)-1,2-ethanediamine +B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O 105 n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid +c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N 106 4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O 107 4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide +C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N 108 2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N 109 2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +CCCCCCCCCC[N+](C)(C)CCCCCCCCCC 10A didecyl-dimethyl-ammonium +CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2 10B n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid +C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O 10C 4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF 10D (2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN 10E (2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O 10F n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS 10G (2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O 10H 1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one +[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC 10I n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N 10J 3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4 10K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide +c1cc2cn[nH]c2c(c1)N 10L 1h-indazol-7-amine +CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 10M decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C 10N n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N 10O 3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 10P d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N 10Q 2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O 10R 1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O 10S 1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid +c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N 10U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N 10V 3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F 10W 2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile +CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O 10X (9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O 10Y (9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 10Z n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine +CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O 110 3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester +CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C 111 (1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N 112 thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester +C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2 113 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O 114 (3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid +CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F 115 (3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid +CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O 116 7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 117 7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid +c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4 118 tetraphenylantimonium ion +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 119 tetraphenylphosphonium ion +CCCCCCCCCCC(=O)O 11A undecanoic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O 11B (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +C(C[C@H](C(=O)O)N)CC(=O)O 11C (2r)-2-aminohexanedioic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O 11D 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid +c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N 11E n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine +Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3 11F 5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C 11G (7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one +c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O 11H 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid +Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 11I methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I 11J n-biphenyl-3-yl-2-iodobenzamide +c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4 11K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide +CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 11M 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine +c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN 11N 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine +CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O 11O (trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid +c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O 11P [(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) +C1CCC(CC1)CN2CCC[C@H]2C(=O)O 11Q 1-(cyclohexylmethyl)-l-proline +CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 11R ruthenium wire, 11 carbon linker +c1cc2c(cc[nH]2)cc1Cl 11S 5-chloro-1h-indole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N 11U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide +c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl 11V 1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O 11W (4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid +c1ccc(cc1)NCc2cccnc2 11X n-(pyridin-3-ylmethyl)aniline +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O 11Y 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid +C1CCC(CC1)CCCCCCCCCCC(=O)O 11Z 11-cyclohexylundecanoic acid +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O 120 2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 121 2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O 122 2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine +COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 123 2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O 124 2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF 125 2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC 126 2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON 127 2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N 128 spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate +C(CP(=O)(O)O)N(C=O)O 129 [2(formyl-hydroxy-amino)-ethyl]-phosphonic acid +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O 12A 2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate +c1cc2cccc3c2c(c1)C(=O)N3 12B benzo[cd]indol-2(1h)-one +c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6 12C 4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N 12D 2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) +c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 12E n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O 12F [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl 12G {4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +C(CCCCCC(=O)O)CCCCCO 12H 12-hydroxydodecanoic acid +CN1CCN(CC1)c2c3ccccc3ncn2 12I 4-(4-methylpiperazin-1-yl)quinazoline +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I 12J 2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide +CC1(CCCCC1)NC(=O)O 12K (1-methylcyclohexyl)carbamic acid +CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C 12L (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid +CCc1ccccc1CO 12M (2-ethylphenyl)methanol +C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N 12N (2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O 12O (1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 12P dodecaethylene glycol +CN1c2ccccc2C=CC1=O 12Q 1-methylquinolin-2(1h)-one +c1ccc(cc1)NNc2c3cn[nH]c3ncn2 12R 4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN 12S 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +c1cc(c(cc1C(=O)O)N)C(=O)O 12T 2-aminobenzene-1,4-dicarboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N 12U n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O 12V (2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1CCC(C1)OC(=O)O 12W cyclopentyl hydrogen carbonate +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12X (4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12Y (4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N 12Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N 130 2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 132 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine +[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N 133 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N 134 6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine +[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N 135 n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide +[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N 136 n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide +c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 137 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O 138 n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N 139 adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O 13A 7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O 13C (5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione +C(CN)CN 13D 1,3-diaminopropane +CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N 13E n-[(2s)-2-amino-3-phenylpropyl]-l-methionine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3 13F 3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 13H (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O 13I (e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate +CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13J 3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N 13K n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13L 3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O 13M (2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid +c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O 13N (5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide +C(C(=O)COP(=O)(O)O)O 13P 1,3-dihydroxyacetonephosphate +c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O 13Q [(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid +CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13R 13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13S 13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid +C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O 13T 13-deoxytedanolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N 13U n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O 13V 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol +[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N 13W 3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile +c1c(cc(cc1O)O)O 13X benzene-1,3,5-triol +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O 13Y 2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O 13Z 2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol +CCCCCCCCCCCCCCCC(=O)NCC(=O)O 140 n-palmitoylglycine +C1=C2C(=NC(=O)NC2=O)NN1 141 oxypurinol +C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN 142 carbidopa +C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 143 s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine +C[N+](CO)(CO)CO 144 tris-hydroxymethyl-methyl-ammonium +c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 145 2-nitrophenyl beta-d-galactopyranoside +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O 146 [4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide] +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 147 4-nitrophenyl beta-d-galactopyranoside +C(CO)N(CCO)C(CO)(CO)CO 148 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O 149 d-galactonolactone +C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N 14A n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide +Cc1cc(c(c(c1)C(=O)O)N)C 14B 2-amino-3,5-dimethylbenzoic acid +Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl 14C 2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F 14D 5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O 14E (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid +COc1cc(c(cc1OC)N)C(=O)O 14F 2-amino-4,5-dimethoxybenzoic acid +CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 14H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide +c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O 14I naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid +c1cc(oc1C(=O)O)Br 14J 5-bromofuran-2-carboxylic acid +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C 14K 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O 14L (11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3 14M {(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)O 14N 4-(4-methylpiperazin-1-yl)benzoic acid +c1cc2c(cc[nH]2)cc1F 14O 5-fluoro-1h-indole +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4 14Q 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine +CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7 14R 5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one +COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 14S 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F 14T 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside +CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O 14U (2s)-2-methyl-3-oxooctadecanoic acid +CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O 14V 3,5-dioxoicosanoic acid +[H]/N=C(/C)\NCc1cccc(c1)CN 14W n-(3-(aminomethyl)benzyl)acetamidine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3 14X 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +CCCCCCCC\C=C\CCCCCCCC(=O)OC 14Y methyl(e)-octadec-9-enoate +CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C 14Z n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +Cc1cc(c(cc1C)N)N 150 4,5-dimethyl-1,2-phenylenediamine +CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O 151 (2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid +C[N+](C)(C)C[C@@H](CC(=O)O)O 152 carnitine +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl 153 (2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl 154 (2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid +CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 155 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide +CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C 156 4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid +C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O 157 6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine +CC(=O)[C@H](CC(=O)O)NC(=O)CS 158 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid +c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O 159 2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid +C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N 15A (2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN 15B n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C 15C 2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione +CN1Cc2cc(ccc2NC1=O)Br 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one +[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2 15F 1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium +COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F 15G 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O 15H (1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3 15I 6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO 15J (1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol +[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O 15L d-galactaro-1,5-lactone +CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O 15M (5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide +c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N (2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +c1ccc2c(c1)cccc2Cl 15O 1-chloronaphthalene +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P polyethylene glycol (n=34) +c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O 15Q 2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F 15R (9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one +C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O 15S n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O 15T 3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C 15U (2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid +Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4 15V n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O 15W 7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one +COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N 15X 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea +C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O 15Y (3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid +c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O 15Z 2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C 160 3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O 161 5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid +Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 162 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 163 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O 164 2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N 165 n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide +c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O 166 6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid +COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O 167 6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O 168 pantothenyl-aminoethanol-acetate pivalic acid +CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O 169 1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid +CCCCCCCCCCCCCCCC[N+](C)(C)C 16A cetyl-trimethyl-ammonium +C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 16B n-hydroxycytidine 5'-(dihydrogen phosphate) +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 16C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide +C(CCCN)CCN 16D hexane-1,6-diamine +C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 16E n-(16-carboxyhexadecanoyl)-l-glutamic acid +c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 16F n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 16G 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 16H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4 16I n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide +c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl 16J [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] 16K 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine +Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C 16L n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide +CCSc1ccccc1 16M (ethylsulfanyl)benzene +c1ccc2c(c1)CCC2 16N 2,3-dihydro-1h-indene +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br 16O n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CCOCCOCCOCCOCCOCCOCC 16P 3,6,9,12,15,18-hexaoxaicosane +CCOc1ccccc1 16Q ethoxybenzene +CSc1ccccc1 16R (methylsulfanyl)benzene +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O 16S 2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O 16T 1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl 16U n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide +Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O 16V 3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid +c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N 16W 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4 16X 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine +C(CCCCCCCC(=O)O)CCCCCCCO 16Y 16-hydroxyhexadecanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O 16Z (2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol +c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-] 170 (2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide +c1ccc(cc1)NCCS(=O)(=O)O 171 2-phenylamino-ethanesulfonic acid +c1cc2c(cc1O)nc([nH]2)N 172 2-amino-5-hydroxy-benzimidazole +c1ccc(cc1)C(=O)C(=O)O 173 benzoyl-formic acid +c1cc(ccc1C(=O)O)Cl 174 4-chloro-benzoic acid +C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N 175 3,5-dihydro-5-methylidene-4h-imidazol-4-on +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N 176 1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide +CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl 177 1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide +CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O 178 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol +c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 179 n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 17A (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN 17B (2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 17C 2,2'-iminodibenzoic acid +c1ccc(cc1)Cc2ccccc2C(=O)O 17D 2-benzylbenzoic acid +CC1=CNC(=O)N=C1N 17E 5-methylcytosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC 17F o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine +c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F 17G 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one +CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O 17H 17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one +[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC 17I n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea +c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4 17J 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide +C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O 17K (3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine +CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC 17L (9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O 17M 17-methyl-17-alpha-dihydroequilenin +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O 17N 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid +c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2 17O (7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5 17P 1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide +CN(C)CCCCCOC1CCCCCCCCCCC1 17Q 1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F 17R (2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine +COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 17S n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 17T n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H]([C@H](C(=C)C)O)N 17U (3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol +CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N 17V 2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide +c1ccc(cc1)OCCSc2[nH]c3ccccc3n2 17W 2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole +c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8 17X (2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate +C1C[C@H]([C@H](C1)O)O 17Y (1r,2s)-cyclopentane-1,2-diol +Cc1cc(c2ccccc2c1O)O 17Z 2-methylnaphthalene-1,4-diol +c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O 180 2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid +c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO 181 1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO 182 1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO 183 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione +CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C 184 6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N 185 (6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol +C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2 186 [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F 187 1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O 188 pyochelin fe(iii) +Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C 189 n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide +CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18A n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C 18B 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 18C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 18D 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl 18E 7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol +c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4 18F 1-benzyl-2-phenyl-1h-benzimidazole +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC 18G 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3 18H 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 18I 3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide +CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18J n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide +Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C 18K n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O 18L (2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O 18M 2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate) +c1cc2cccc3c2c(c1)C(=O)NC3=O 18N 1h-benzo[de]isoquinoline-1,3(2h)-dione +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 18O n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 18P n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide +c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 18Q 2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 18R 3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide +Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 18S n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 18T [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 18U 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 18V 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 18W 3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N 18X methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O 18Y trioxacarcin a analogue, bound form +c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N 18Z 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C 190 n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O 191 propionyl coenzyme a +C1CC(C1)(C(=O)O)N 192 1-aminocyclobutanecarboxlic acid +C(CNC(=O)CCN)[C@@H](C(=O)O)N 193 (2s)-4-(beta-alanylamino)-2-aminobutanoic acid +c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O 194 4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O 195 4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O 196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 197 4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid +C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 198 r-bicalutamide +CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5 199 n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide +CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3 19A n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6 19B 4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide +c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F 19C 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O 19D (1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid +Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl 19E 11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol +Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC 19F 2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O 19G 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl 19H 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O 19J 2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C 19K n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N 19L (2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N 19M (2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid +[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O 19N [(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid + 19O natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate +Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C 19P 1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one +C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19Q 2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19R 2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4 19S 2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C 19T (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid +CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 19U 1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide +CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N 19V 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide +C(C[C@@H](C(=O)O)N)CON 19W 5-(aminooxy)-l-norvaline +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl 19X 6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one +CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O 19Y 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O 19Z 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl 1A0 (3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine +c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5 1A1 n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide +CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F 1A2 5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile +c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3 1A3 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide +c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A4 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide +c1cc(ccc1C(=O)N)N2CCOC2=O 1A5 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide +Cc1cc(on1)CSc2nnc3n2cccc3 1A6 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)C2=CSC(=O)N2)F 1A7 4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one +CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A8 n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide +c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4 1A9 3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide +c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N 1AA 5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine +C1[C@H]([C@@H]([C@H](N1)CO)O)O 1AB 1,4-dideoxy-1,4-imino-d-arabinitol +C1CC1(C(=O)O)N 1AC 1-aminocyclopropanecarboxylic acid +CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN 1AD (1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CCCC(=O)/C(=C/OP(=O)(O)O)/O 1AE (1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate +c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5 1AF 2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O 1AG (2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC 1AH 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C 1AI ~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +c1csc2c1CN(CC2)C(=O)n3ccnc3 1AJ 6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone +CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N 1AK 4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile +C(C(=O)[O-])(NC(=O)N)NC(=O)N 1AL allantoate ion +COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5 1AM 2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide +c1ccc(c(c1)N)F 1AN 2-fluoroaniline +c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5 1AO 2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N 1AP 2,6-diaminopurine nucleotide +CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC 1AQ (3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C 1AR 4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C 1AS (~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 1AT beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4 1AU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea +c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4 1AV 7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3 1AW 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea +C([C@H](COC[C@@H](CO)O)O)O 1AX (2r,2'r)-3,3'-oxydipropane-1,2-diol +Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl 1AY (1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine +Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C 1AZ 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione +Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4 1B0 n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide +CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4 1B1 (2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O 1B2 n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O 1B3 n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC 1B4 n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl 1B5 2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4 1B6 n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C 1B7 n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C 1B8 3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C 1B9 3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O 1BA 4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C 1BB 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl 1BC 2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one +c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F 1BD 3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C 1BE n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C 1BF n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC 1BG (3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1BH n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol +c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6 1BI 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide +c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O 1BJ trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol +CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O 1BK trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O 1BL (2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid +CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O 1BM 3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol +c1ccc(cc1)Cn2ccnc2 1BN 1-benzyl-1h-imidazole +CCCCO 1BO 1-butanol +C[C@H](CBr)O 1BP 1-bromopropane-2-ol +CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO 1BQ [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone +CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C 1BR n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C 1BS 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N 1BT (2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC 1BV (2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide +CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO 1BW n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide +CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O 1BX 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one +c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O 1BY [2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1=CC(=O)N(C(=C1)Cc2ccccc2)O 1BZ 6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one +B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O 1C0 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N 1C1 amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O 1C2 3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O 1C3 1-(3,4,5-trimethoxybenzyl)-l-proline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O 1C4 (2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name) +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N 1C5 [[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine +Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C 1C7 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C 1C8 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one +COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F 1C9 (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 1CA desoxycorticosterone +C1CCC(C1)N 1CB cyclopentanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O 1CC 5-carboxy-2'-deoxycytidine monophosphate +C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O 1CD (13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione +C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1 1CE 3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O 1CF 2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside +c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F 1CG [(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid +CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C 1CH n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine +c1cc(ccc1n2ccnc2)Cl 1CI 1-(4-chlorophenyl)-1h-imidazole +CCO[C@H](c1cnn2c1cccc2)O 1CJ (r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol +Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br 1CK 4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58 1CL fe(8)-s(7) cluster, oxidized +CC[C@H](c1ccccc1)C(=O)Nc2ccncc2 1CM (2r)-2-phenyl-n-pyridin-4-ylbutanamide +c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 1CN 5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@@](CCS)(CC(=O)O)O 1CO (3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C 1CP coproporphyrinogen i +c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O 1CQ 4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 1CR popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl 1CS 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea +c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O 1CT [2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +[OH2][Cu+2] 1CU copper ion, 1 water coordinated +C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O 1CV (3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(c(c(c1)N)O)C(=O)O 1CW 3-amino-2-hydroxybenzoic acid +c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F 1CX (5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide +CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C 1CY 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 1CZ (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O 1D0 (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C 1D1 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C 1D2 cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C 1D4 cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br 1D5 (4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid +Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O 1D6 {4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O 1D8 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F 1D9 3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1DA 1-deaza-adenosine +CCCCCCCCCCS(=O)(=O)O 1DB 1-decane-sulfonic-acid +C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1DC 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide +Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F 1DD 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole +c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O 1DE 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O 1DF 4-hydroxy-3-methoxy-5-nitrobenzoic acid +c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O 1DG (4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +c1c(sc(n1)N)Cl 1DH 5-chloro-1,3-thiazol-2-amine +c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N 1DI (2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one +C#C[C@H](c1ccccc1)O 1DJ (1r)-1-phenylprop-2-yn-1-ol +Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C 1DK {4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br 1DL 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4 1DM n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1DN 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CCCCCCCCCCCCO 1DO 1-dodecanol +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1DP n1-deaza-adenosine-5'-monophosphate +c1c([nH]cn1)C(F)(F)F 1DQ 5-(trifluoromethyl)-1h-imidazole +c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O 1DR 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde +CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O 1DS 1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4 1DT n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +c1cnn(c1)CCO 1DU 2-(1h-pyrazol-1-yl)ethanol +Cc1cc(n[nH]1)C(F)(F)F 1DV 5-methyl-3-(trifluoromethyl)-1h-pyrazole +c1cc(c(cc1O)C=O)Br 1DW 2-bromo-5-hydroxybenzaldehyde +c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O 1DX 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1DY n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3 1DZ 1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid +CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1E0 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +C1CC1C[C@@H]([C@H](C(=O)N)O)N 1E1 (2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide +CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O 1E2 (2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside +C(CCC[C@@H](C(=O)O)N)CCCN 1E3 (2s)-2,9-diaminononanoic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O 1E4 1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol +c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O 1E5 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O 1E6 6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl 1E7 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 1E8 1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl 1E9 n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide +Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4 1EA 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid +c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-] 1EB n-(4-nitrophenyl)cyclopropanecarboxamide +[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O 1EC [(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O 1ED (3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione +[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O 1EE [(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-) +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO 1EF n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N 1EG 5'-o-(l-alpha-glutamylsulfamoyl)guanosine +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl 1EH 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O 1EI 5'-o-(l-alpha-glutamylsulfamoyl)inosine +c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F 1EJ 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid +c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl 1EK {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid +Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2 1EL 9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC 1EM (1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate +c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F 1EN 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F 1EO (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol +CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C 1EP (5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione +c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5 1EQ 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine +CC(C)(C)c1cccc(c1)C2=CC=CNC2=O 1ER 3-(3-tert-butylphenyl)pyridin-2(1h)-one +Cn1cc(c2c1cccc2)CCN 1ES 2-(1-methyl-1h-indol-3-yl)ethanamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C 1ET 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3 1EU 1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C 1EV 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile +Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN 1EW 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CC/C=C\C=C/CCCCCCCCCCO 1EX (11z,13z)-hexadeca-11,13-dien-1-ol +CC/C=C\C=C/CCCCCCCCCC=O 1EY (11z,13z)-hexadeca-11,13-dienal +c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N 1EZ n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C 1F0 [(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +c1cc(cc2c1cc[nH]2)C(=O)O 1F1 1h-indole-6-carboxylic acid +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F2 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F3 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F4 (3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O 1F5 (1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol +CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F 1F6 (3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O 1F7 s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate +Cc1c(c2ccccc2o1)C(=O)NCCS 1F8 2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide +c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F 1FA [(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl 1FB 1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O 1FC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +c1cc(ccc1CN)OC(F)(F)F 1FD 1-[4-(trifluoromethoxy)phenyl]methanamine +c1cc2c(cc1NC(=O)CN)NC(=O)N2 1FE n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide +Cn1c(c(cn1)C(=O)O)c2ccccc2 1FF 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid +CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4 1FG 2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O 1FH 12-phenylheme +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F 1FI 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide +Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2 1FJ ~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide +CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3 1FK 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone +c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O 1FL 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid +C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O 1FM (3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F 1FN 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O 1FO 6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C1CN(CCN1)C=O 1FP piperazine-1-carbaldehyde +c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F 1FQ (2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO 1FR 3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl 1FS 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O 1FT 4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose +c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5 1FV n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FW (2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide +c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FX (2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide +CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3 1FY (2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 1FZ 5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine +c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N 1G0 cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N 1G1 n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-] 1G2 (2s)-2-azido-3-phenylpropanoic acid +CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N 1G3 (2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine +c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O 1G4 (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN 1G5 hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N 1G6 n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O 1G7 (3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione +c1cc(ccc1C[C@H](C(=O)O)N)CN 1G8 4-(aminomethyl)-d-phenylalanine +C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O 1G9 (3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione +CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C 1GA geraniline +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O 1GB (3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 1GC 2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine +c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N 1GD 2-phenyl-n-(4-sulfamoylbenzyl)acetamide +[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N 1GE 2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C 1GF (~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N 1GG (6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5 1GH 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one +C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O 1GI 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid +c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3 1GK n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC 1GL 2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose +CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GM 4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O 1GN 2-amino-2-deoxy-beta-d-galactopyranose +c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N 1GO n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide +C([C@@H](COP(=O)(O)O)O)O 1GP sn-glycerol-1-phosphate +CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GQ 4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GR 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GS 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GT 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GU 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O 1GV 4,4'-thiene-2,5-diylbis(3-methylphenol) +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 1GW 5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O 1GZ methylthioacryloyl-coa +CCOC(=O)C[C@@H](CC#N)O 1H1 ethyl (3r)-4-cyano-3-hydroxybutanoate +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O 1H2 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O 1H3 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol +c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 1H4 n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F 1H5 n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H6 n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H7 n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H8 n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O 1H9 8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O 1HA 1-hydroxy-2-naphthoyl-coa +CN(C)C(=O)CC[C@@H](CO)N 1HB (4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide +C=CC(=O)N 1HC prop-2-enamide +CC(=O)NC[C@@H](CO)N 1HD n-[(2s)-2-amino-3-hydroxypropyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O 1HE 3-methylmercaptopropionate-coa (mmpa-coa) +c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2 1HF (3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid +C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HG n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HH n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HJ n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3 1HK 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol +C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HL n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F 1HM n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1ccc2c(c1)ccc(c2O)C(=O)O 1HN 1-hydroxynaphthalene-2-carboxylic acid +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F 1HO n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +Cn1c2cc(cnc2nc1N)c3ccc(cc3)O 1HP 4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F 1HQ n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl 1HR (1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid +C[C@@H](CSCCS(=O)(=O)O)O 1HS 2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC 1HT (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate +CNCCc1c[nH]c2c1cccc2 1HU 2-(1h-indol-3-yl)-n-methylethanamine +CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN 1HV 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide +COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO 1HW 1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone +C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N 1HX n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide +c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 1HZ 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine +CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7 1I0 3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N 1I1 ((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid +CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC 1I3 3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O 1I4 (r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine +COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 1I6 methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6 1I8 (3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6 1I9 3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N 1IA (2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid +CCCCCCCC(=O)OC[C@H](C(=O)O)N 1IC o-octanoyl-d-serine +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C 1IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide +c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N 1IH (s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid +c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N 1IK (s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O 1IN 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide +c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N 1IO (s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N 1IP n~2~-(phosphonoacetyl)-l-asparagine +CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C 1IQ 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IR n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IS n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +c1ccc2c(c1)c3ccccc3o2 1IT dibenzofuran +C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N 1IU [3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid +COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O 1IX (~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol +CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O 1J0 collinone +C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N 1J1 n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine +CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O 1J2 trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5 1J3 4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide +CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC 1J4 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O 1J5 trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O 1J6 (trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile +c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl 1J9 (2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 1JB [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 1JC 1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide +Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl 1JD (2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide +CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O 1JE [(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O 1JF 4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O 1JG 2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3 1JH 2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid +CC[C@@H](O)P(=O)(O)O 1JJ [(1s)-1-hydroxypropyl]phosphonic acid +C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JK (2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3 1JL 2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid +CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O 1JM 4-carboxy-n-methyl-d-phenylalanine +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4 1JN 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole +c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N 1JO d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine +c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O 1JP d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide +C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JQ (2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4 1JR (4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one +c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO 1JS n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4 1JT 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2 1JU 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O 1JV 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol +C(CCO)C[C@@H](CO)O 1JW (2s)-hexane-1,2,6-triol +C[C@@H]1C(=O)Nc2c(cccn2)N1 1JX (2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO 1JY n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid +[H]/N=C(\N)/Nc1ccc(cc1)CO 1JZ 1-[4-(hydroxymethyl)phenyl]guanidine +Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC 1K0 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one +CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC 1K3 5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine +CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O 1K4 n-decanoyl-l-homoserine +c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O 1K5 (9-oxoacridin-10(9h)-yl)acetic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O 1K6 (2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid +c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N 1K7 (1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine +c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl 1K8 3-chloranyl-2-piperazin-1-yl-quinoline +c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F 1K9 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea +C(COCC=O)O 1KA (2-hydroxyethoxy)acetaldehyde +CSCCC=C[C@H](CC(=O)O)O 1KC (3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid +CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N 1KD 1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] +c1c(cnc(c1Cl)N2CCNCC2)I 1KE 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine +CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C 1KG (3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate +C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O 1KH arsenoribose +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC 1KJ n~5~-(n-methoxycarbamimidoyl)-l-ornithine +c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N 1KK (s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid +CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 1KL methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate +C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O 1KM (2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O 1KN (2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol +c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl 1KO 2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide +c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl 1KP (3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one +Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C 1KQ 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone +CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1KR benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F 1KS 4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide +COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2 1KT 1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5 1KU (1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC 1KV 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612 1KW ortho-carborane +c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4 1KX {(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol +COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 1KY 6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one +COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4 1KZ 2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate +CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O 1L0 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N 1L1 3-cyclohexyl-n-sulfamoyl-d-alanine +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 1L2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 1L3 menaquinone-4 +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L4 n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +C/C(=C\N(=O)=O)/c1ccccc1 1L5 [(1e)-1-nitroprop-1-en-2-yl]benzene +CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C 1L6 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one +c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N 1L7 (2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide +c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L8 8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1L9 n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1LA n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2 1LB (2s)-2-cyano-3-(1h-indazol-5-yl)propanamide +c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N 1LC (2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide +C1=C(C(=NC(=O)N1)N)F 1LD 5-fluorocytosine +CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N 1LE (2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide +Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC 1LF 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide +c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N 1LG 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+] 1LH (2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O 1LI n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N 1LJ 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea +C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F 1LK 1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O 1LL thioditaloside +c1ccc2c(c1)c(ccn2)N 1LM quinolin-4-amine +C1=CC=[N](C(=C1)N)CCO 1LN 2-(2-aminopyridin-1-ium-1-yl)ethanol +C[C@H](C=O)c1ccccc1 1LP tranylcypromine +c1ccc2c(c1)c(ncn2)N 1LQ quinazolin-4-amine +c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O 1LR 3-(benzoylamino)-2-hydroxybenzoic acid +c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1LS 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea +Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F 1LT (2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide +CC(C)C[C@@H](C(=O)O)O 1LU (2s)-2-hydroxy-4-methyl-pentanoic acid +c1csc2c1c(c3c(n2)CCCC3)N 1LW 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine +c1cc(n2ccnc2c1)N 1LX imidazo[1,2-a]pyridin-5-amine +c1cc2nccn2cc1N 1LY imidazo[1,2-a]pyridin-6-amine +c1c[nH]c2c1ncc(c2)CO 1LZ 1h-pyrrolo[3,2-b]pyridin-6-ylmethanol +C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7 1M0 1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole +c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5 1M1 (6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline +CNc1[nH]c2ccccc2n1 1M2 n-methyl-1h-benzimidazol-2-amine +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 1M3 n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide +CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C 1M4 (4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C 1M5 (4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C 1M6 3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile +CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C 1M7 (4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one +Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4 1M8 5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C 1M9 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C 1MA 6-hydro-1-methyladenosine-5'-monophosphate +c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F 1MB 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one +CN1C=CC(=NC1=O)N 1MC 1-methylcytosine +Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN 1MD 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide +CC([C@H](C(=O)O)N)SC 1ME (2s)-2-amino-3-methylsulfanyl-butanoic acid +c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O 1MF 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N 1MG 1n-methylguanosine-5'-monophosphate +c1cc(cnc1)C[C@@H](C(=O)O)N 1MH 3-pyridin-3-yl-l-alanine +C(CO)C(CO)CO 1MI 2-(hydroxymethyl)butane-1,4-diol +c1c[nH]c2c1ncc(c2)C=O 1MJ 1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde +CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C 1MK chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii) +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C 1ML 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1MM methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br 1MN (2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MO (2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one +C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MQ (2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid +CNc1ccccc1 1MR n-methylaniline +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-] 1MS n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl 1MT (2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O 1MV ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid +c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 1MX 2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide +CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 1MY {(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid +Cn1cc[nH+]c1 1MZ 1-methylimidazole +[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N 1N 1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine +C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl 1N1 n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide +C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O 1N2 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione +COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN 1N3 1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide +CCCc1cnn(c1[C@H](C(=O)O)N)O 1N4 (2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid +C(C[C@@H](C[C@H](C(=O)O)O)O)CO 1N5 (2r,4s)-2,4,7-trihydroxyheptanoic acid +c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F 1N6 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one +C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 1N7 chapso +CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F 1N8 n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C 1N9 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O 1NA n-acetyl-o-methyl-d-glucosamine +C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O 1NB 2-(2-hydroxy-cyclopentyl)-pent-4-enal +c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1ND 1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3 1NE n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O 1NF n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1NG 1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2 1NH (2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O 1NI 4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N 1NJ 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC 1NK 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC 1NL 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N 1NM 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NN 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NO 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +c1ccc2c(c1)cccc2O 1NP 1-naphthol +CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3 1NQ n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide +CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NR 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NS 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O 1NT (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid +c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F 1NU 1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N 1NV 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5 1NW 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C 1NX 2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C 1NY 4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6 1NZ 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F 1O0 6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O 1O1 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC 1O2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate +c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br 1O3 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid +c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1O4 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C 1O5 5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C 1O6 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid +CCOc1ccc2c(c1)-c3ccsc3NC2=O 1O7 8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2 1O8 (2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O 1O9 (4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline +c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F 1OA n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N 1OB 5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F 1OC n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O 1OD (4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl 1OE 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid +c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1OF [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate +CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O 1OG 7-alkylidenecephalosporin dcm-1-10, bound form +CC(C)(c1ccccc1)c2ccc(cc2)O 1OH 4-(1-methyl-1-phenylethyl)phenol +COc1ccc2c(c1)-c3ccsc3NC2=O 1OI 8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3 1OJ (2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N 1OK (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide +C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O 1OL (2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O 1OM 4-{bis[4-(dimethylamino)phenyl]methyl}phenol +c1ccc2c(c1)CCC2=O 1ON 2,3-dihydro-1h-inden-1-one +c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F 1OO n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO 1OP o-(5-hydroxypentyl)-l-tyrosine +c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F 1OQ (2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile +CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 1OR (2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N 1OS [(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid +c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O 1OT {(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid +[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O 1OU [(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid +[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O 1OV [(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid +c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3 1OX 2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl 1OY (3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 1OZ n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide +c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO 1P0 2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol +Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N 1P1 (22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N 1P2 (23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +C[C@@H]1CCCN(C1)C(=O)C 1P3 (3r)-1-acetyl-3-methylpiperidine +c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO 1P4 3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol +CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N 1P5 (3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide +C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N 1P6 3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine +c1cc2c(cc1Cl)C(=O)NC2 1P7 6-chloro-2,3-dihydro-1h-isoindol-1-one +c1cc2c(cc1Br)NC(=O)C2 1P8 6-bromo-1,3-dihydro-2h-indol-2-one +CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br 1P9 (3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid +c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O 1PA 4-(carboxymethyl)-l-phenylalanine +c1ccc(cc1)CC\C=C\c2ccccc2 1PB 1,4-diphenyl-2-butene +c1ccc(cc1)C2(CCCCC2)N3CCCCC3 1PC 1-(phenyl-1-cyclohexyl)piperidine +CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 1PD 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide +C(COCCOCCOCCOCCO)O 1PE pentaethylene glycol +CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3 1PF 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole +COCCOCCOCCOCCOCCO 1PG 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol +c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N 1PH 2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide +[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N 1PI (3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +COc1ccc(cc1)C2(CC2)C(=O)O 1PJ 1-(4-methoxyphenyl)cyclopropanecarboxylic acid +c1cc2cccc3c2c(c1)NC(=N3)N 1PK 1h-perimidin-2-amine +C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C 1PL (1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid +COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5 1PM methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate +C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C 1PN prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate +C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC 1PO n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl 1PP 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea +C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC 1PQ (4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N 1PR phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester +c1cc[n+](cc1)CCCS(=O)(=O)[O-] 1PS 3-pyridinium-1-ylpropane-1-sulfonate +C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2 1PT cyclohexane-1(r),2(r)-diamine-platinum(ii) +c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O 1PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea +B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O 1PV [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O 1PW (2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 1PX (2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +c1ccc(cc1)CC(=O)C(=O)O 1PY 2-oxo-3-phenylpropionic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O 1PZ (2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O 1Q0 (2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate +CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O 1Q1 1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one +[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O 1Q2 (4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one +c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O 1Q3 (1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile +c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O 1Q4 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one +CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C 1Q5 3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine +Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C 1Q6 6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C 1Q7 6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +c1ccc(cc1)C(=O)NCO 1Q8 n-(hydroxymethyl)benzamide +CCOc1c(cc(cc1CNc2[nH]nnn2)C)C 1Q9 n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O 1QA (2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid +CC(=O)NC1=CCC2=C(C1)CC=C2 1QB n-(4,7-dihydro-1h-inden-6-yl)acetamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N 1QC n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1QD [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 1QE n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4 1QF n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4 1QG (3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine +CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N 1QI (2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F 1QJ {4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol +CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO 1QK 3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium +CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2 1QL (2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4 1QM 9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine +CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C 1QN 1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine +c1ccc(cc1)CNc2nccc(n2)c3cccnc3 1QO n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine +CCOC(=O)c1cnn2c1cccc2 1QP ethyl pyrazolo[1,5-a]pyridine-3-carboxylate +CC[C@H](C)C(=O)C(=O)O 1QQ (3s)-3-methyl-2-oxopentanoic acid +c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4 1QR n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F 1QS n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O 1QT (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one +c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5 1QU 1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide +c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F 1QV 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)O 1QW (2r)-2,3-dihydroxypropyl dodecanoate +CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1QX dodecyl hydrogen (s)-(3-azidopropyl)phosphonate +CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O 1QY tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4 1QZ 6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4 1R0 6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1R1 hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate +c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-] 1R2 3-hydroxy-5-(3-nitrophenoxy)benzoic acid +CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O 1R3 n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] 1R4 l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine +c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F 1R5 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O 1R6 (12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione +c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5 1R7 n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O 1R8 (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one +Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4 1R9 2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide +CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4 1RA ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate +c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1RB 1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate +CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl 1RC (1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2 1RD n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide +CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC 1RE 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile +C(COCCO[V](O)(O)(O)O)O 1RF vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1) +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O 1RG (4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC 1RH n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide +c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4 1RI 3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC 1RK 6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid +CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O 1RL benzoxazinorifamycin-2b +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 1RM benzoxazinorifamycin-2c +C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O 1RN (e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine +c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4 1RO (5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F 1RP 6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O 1RQ cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C 1RR n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4 1RS 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +C1=C(C(=NC(=O)N1)N)C(=O)O 1RT 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5 1RU 7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine +c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2 1RV 2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 1RY [[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 1RZ lamivudine triphosphate +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 1S0 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC 1S1 2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile +Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3 1S2 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O 1S3 (2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N 1S4 alpha-muramic acid +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N 1S5 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium +Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O 1S6 (2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2 1S7 (2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5 1S8 n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 1S9 [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid +c1(nnc(s1)S(=O)(=O)N)N 1SA 5-amino-1,3,4-thiadiazole-2-sulfonamide +COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O 1SB n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O 1SC 5'-o-thiophosphonocytidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O 1SD (1s)-1,5-anhydro-1-sulfamoyl-d-galactitol +c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O 1SE n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide +c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O 1SF 1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O 1SG n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide +CNCCOP(=O)(O)O 1SH 2-(methylamino)ethyl dihydrogen phosphate +c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F 1SI 3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O 1SJ (3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O 1SL (3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C 1SM methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O 1SN (3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O 1SO (3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC[C@@H](CO)O 1SP (2s)-pentane-1,2-diol +c1ccc2c(c1)ccnc2N 1SQ isoquinolin-1-amine +CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C 1SS (1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC 1ST (5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one +c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5 1SU n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C 1SV (4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium +c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F 1SW n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3 1SX 4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N 1SY cgamp +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C 1SZ n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide +CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 1T4 n-(pyren-1-yl)acetamide +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T5 3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T6 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid +[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N 1T7 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O 1T8 methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O 1T9 (2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate +C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O 1TA triamcinolone acetonide +Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1TB methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate +Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC 1TC n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2 1TD 3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O 1TE tebipenem +c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F 1TH 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione +Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O 1TJ 1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione +C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O 1TL 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O 1TM 4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] 1TN 5-hexyl-2-(2-nitrophenoxy)phenol +Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C 1TP 1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O 1TQ 6-(formylamino)-7-hydroxy-l-tryptophan +CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F 1TR 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N 1TS (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide +C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2 1TT (8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one +Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F 1TU 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol +C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O 1TW 2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +COC(=O)CCCC[C@@H](C(=O)O)N 1TX (2s)-2-amino-7-methoxy-7-oxoheptanoic acid +c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 1TY 3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine +Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C 1TZ (2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O 1U0 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N 1U1 5-chloro-3-sulfamoylthiophene-2-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N 1U2 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide +Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O 1U3 n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O 1U4 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine +C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O 1U5 (1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid +CCN1C(=O)CC(=O)N(C1=S)CC 1U6 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O 1U7 (4r,4as,8as)-4-phenyldecahydroquinolin-4-ol +Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C 1U8 (3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid +[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N 1U9 6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide +Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2 1UA 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O 1UC (2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N 1UD methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside +c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N 1UE 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O 1UF n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid +c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N 1UG 2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6 1UH 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine +CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC 1UJ methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate +CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F 1UK n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide +CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N 1UL 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone +Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O 1UN 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide +c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl 1UO trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol +[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N 1UP 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide +CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O 1UQ [(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O 1UR 4-(4-oxo-4h-chromen-2-yl)benzoic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl 1US 2-(2-chloranylphenoxy)-5-hexyl-phenol +CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UT 2-[4-(dimethylamino)phenyl]-4h-chromen-4-one +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5 1UV (3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid +CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UW ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N 1UX 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N 1UZ 4-(4-oxo-4h-chromen-2-yl)benzonitrile +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-] 1V0 2-(4-nitrophenyl)-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl 1V1 2-(4-chlorophenyl)-4h-chromen-4-one +c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl 1V2 (2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl 1V3 6-chloro-2-phenyl-4h-chromen-4-one +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F 1V4 6-fluoro-2-phenyl-4h-chromen-4-one +c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F 1V5 n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide +c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N 1V6 4-(4-benzylphenyl)-1,3-thiazol-2-amine +c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4 1V8 2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one +CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1V9 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide +c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VA n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VB 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide +COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VC methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate +C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1VD n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N 1VE (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone +CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3 1VF 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4 1VG 2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC 1VI 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide +CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N 1VJ ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate +c1ccc(cc1)C(=O)c2c(non2)N 1VK (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone +c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O 1VL (3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1VM 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N 1VN 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N 1VO 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1 1VP n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine +Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-] 1VQ 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate +CC(C)[C@@H](CC(=O)O)N 1VR (3r)-3-amino-4-methylpentanoic acid +CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 1VS n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 1VT n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 1VU propionyl coenzyme a +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VV (1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6 1VW 2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VX (1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4 1VZ 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine +c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4 1W0 (3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine +c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N 1W1 2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N 1W2 2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C 1W3 7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F 1W4 s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 1W5 (1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2 1W6 ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C 1W7 n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide +CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O 1W8 ceftaroline +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O 1W9 (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid +c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O 1WA 2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium +COc1cc(cc(c1)C(=O)O)C(=O)O 1WB 5-methoxybenzene-1,3-dicarboxylic acid +Cc1c(cn[nH]1)c2ccccc2Cl 1WC 4-(2-chlorophenyl)-5-methyl-1h-pyrazole +c1cc(c(nc1)C(=O)O)S 1WD 3-sulfanylpyridine-2-carboxylic acid +C[C@@H](Cc1ccccc1)N 1WE (2s)-1-phenylpropan-2-amine +C[C@@H](Cc1ccc(cc1)O)NC 1WF 4-[(2s)-2-(methylamino)propyl]phenol +C1=C(C(=O)C=C(C1=O)O)O 1WG 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione +Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN 1WH 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N 1WJ methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N 1WK methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO 1WL nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO 1WM (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide +C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O 1WN (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide +CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C 1WO (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione +c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl 1WP (3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine +C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl 1WQ (2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one +c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN 1WS n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C 1WT 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one +B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O 1WU 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol +CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O 1WV (2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I 1WW {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F 1WX {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC 1WY n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O 1WZ 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid +C=CCCCC[C@@H](C(=O)O)N 1X0 (2s)-2-aminooct-7-enoic acid +c1ccc2c(c1)CCN(C2)C(=O)O 1X1 3,4-dihydroisoquinoline-2(1h)-carboxylic acid +c1ccc(cc1)CCCCCCN=C=S 1X2 6-isothiocyanatohexylbenzene +c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7 1X3 (2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate +C1C[C@H](O[C@@H]1COP(=O)(O)O)O 1X4 2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose +CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3 1X5 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid +C([C@@H](C(=O)O)N)OC(=O)/C=C/N 1X6 o-[(2e)-3-aminoprop-2-enoyl]-l-serine +c1c2c(c(cnc2N)C(=O)N)sc1Br 1X7 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide +c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N 1X8 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide +C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N 1X9 cerulenin +Cc1c(c(on1)N)c2ccccc2 1XA 3-methyl-4-phenyl-1,2-oxazol-5-amine +Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C 1XB 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide +c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F 1XC 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium +c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F 1XD n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O 1XE [5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N 1XF 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid +C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O 1XG (3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide +C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C 1XH 2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione +CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O 1XI ~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide +CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C 1XJ 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide +C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO 1XL 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol +c1c2c([nH]n1)NC(=S)N=C2N 1XM 4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione +c1ccc2c(c1)c([nH]c2N)N 1XN 2h-isoindole-1,3-diamine +c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3 1XO n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide +COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl 1XP 4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide +c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F 1XQ 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F 1XS 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O 1XT 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl 1XU 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid +c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl 1XV 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide +C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O 1XW (1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid +C[C@@H]1C(=O)C(=C(O1)C)O 1XX (2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one +c1ccc2c(c1)[C@@H](CCO2)N 1XY (4r)-3,4-dihydro-2h-chromen-4-amine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 1Y0 (4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide +CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl 1Y1 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide +C1CC(CCC1[C@@H](C(=O)O)N)(F)F 1Y2 (2s)-amino(4,4-difluorocyclohexyl)ethanoic acid +CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y3 (3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y4 (3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +c1ccc2c(c1)CCC[C@H]2N 1Y5 (1r)-1,2,3,4-tetrahydronaphthalen-1-amine +c1cc(ccc1C(=O)O)F 1Y6 4-fluorobenzoic acid +C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O 1Y7 (2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate +C[As](C)(C)CCO 1Y8 2-(trimethyl-lambda~5~-arsanyl)ethanol +CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C 1Y9 vibralactone, bound form +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O 1YA n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N 1YC 2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 1YD 2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O 1YE (5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O 1YF [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C 1YG (2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 1YH (3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N 1YJ n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O 1YK territrem b +Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C 1YL dihydrotanshinone i +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F 1YM 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid +CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl 1YN 2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +Cc1ccccc1CSc2nncn2N 1YO 3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F 1YP 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea +c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N 1YQ (2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N 1YR (2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YS (1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F 1YT (1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YU (1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N 1YV n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3 1YW n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide +CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C 1YX n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide +C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4 1YY (2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1YZ 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC 1Z0 n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide +CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O 1Z1 n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide +Cc1c(c[nH]n1)c2ccc(cc2)F 1Z6 4-(4-fluorophenyl)-3-methyl-1h-pyrazole +CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC 1Z7 n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide +c1ccc(cc1)c2c[nH]nc2C(F)(F)F 1Z8 4-phenyl-3-(trifluoromethyl)-1h-pyrazole +c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN 1ZB n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide +COc1cccc(c1)C(=O)c2c(non2)N 1ZC (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 1ZD n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O 1ZG n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide +CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O 1ZK 4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium +C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC 1ZN (2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F 1ZQ 5,6-bis(4-fluorophenyl)pyridine-2,3-diol +CC(=O)N[C@@H](CS)C(=O)O 1ZT n-acetyl-l-cysteine +c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N 1ZV amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium +c1cc(ccc1CNC=S)C#N 1ZW n-[(4-cyanophenyl)methyl]methanethioamide +CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 1ZZ 5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 4-chloro-l-phenylalanine +c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N 201 3-amido-5-biphenyl-benzoic acid +OBr(=O)=O 202 bromic acid +c1[nH]c2c(n1)NS(=O)(=O)NC2=O 203 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide +CCOC(=O)c1cnc(nc1O)N 204 2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester +c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl 205 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2 207 1-amino-6-cyclohex-3-enylmethyloxypurine +CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O 208 (2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid +CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C 209 8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione +CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4 20A 1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O 20B 2-(3-hydroxyphenyl)-4h-chromen-4-one +Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O 20C 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F 20D 2-(4-fluorophenyl)-4h-chromen-4-one +C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O 20E (2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one +c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F 20F 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS 20G n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS 20H 1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide +CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl 20J 7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C 20K 2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine +c1ccc(cc1)Oc2ccc(cc2)C[NH3+] 20L (4-phenoxyphenyl)methylazanium +c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5 20M n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide +CC(=O)Nc1ccc(cc1)NC(=O)C2CC2 20N n-[4-(acetylamino)phenyl]cyclopropanecarboxamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4 20O (1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3 20P (1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide +CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl 20Q (3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3 20R n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 20S beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F 20T 1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl 20U (2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O 20V 3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid +CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl 20W (2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F 20X n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3 20Y 4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N 20Z 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C(CN)C(O)(P(=O)(O)O)P(=O)(O)O 210 pamidronate +C(CO)N(CCO)CCO 211 2,2',2''-nitrilotriethanol +C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN 212 alendronate +c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5 213 4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid +Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6 214 6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid +CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5 215 (1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime +C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3 216 [4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone +C=CCC[C@@H](CO)O 217 (2s)-hex-5-ene-1,2-diol +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO 218 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium +c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2 219 cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4 21A 6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol +CNCCC=C1c2ccccc2CCc3c1cccc3 21B nortriptyline +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl 21C n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O 21D naphthalene-1,5-disulfonic acid +CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N 21E 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I 21F n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F 21G (2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +C(O)OCO 21H oxydimethanol +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl 21J n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl 21K n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O 21L methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 21M n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 21N n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O 21O {(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid +C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C 21P 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C 21Q 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl 21R n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl 21S n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5 21T 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 21U d-leucyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 21V n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid +c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4 21W n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3 21X n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl 21Y 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N 21Z 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O 220 undeca-3,7-diene-1,3,7,11-tetracarbaldehyde +c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F 221 (2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide +c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl 222 2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione +c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO 223 (3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol +c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl 224 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole +CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C 225 felodipine +c1c(cc(c2c1c(c(cc2O)O)O)O)O 226 naphthalene-1,2,4,5,7-pentol +CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC 227 6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline +Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5 228 n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O 229 7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO 22A 7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O 22B bacterioruberin +CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 22C 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 22D 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid +CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5 22E 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate +c1cc(ccc1C(=O)c2ccncc2)F 22F (4-fluorophenyl)(pyridin-4-yl)methanone +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N 22G n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine +C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O 22H 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol +c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F 22J (3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid +Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N 22K 5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2csc3c2C(=O)NC=N3 22L 5-phenylthieno[2,3-d]pyrimidin-4(3h)-one +[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N 22M 2-(2-methylphenyl)-1h-indole-6-carboximidamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O 22N (3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 22O n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc(cc1)CC[C@@](CN)(C(=O)O)O 22P (2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid +CC(C)CC1=N/C(=C\S)/C(=O)NC1=O 22Q (3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 22S n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2 22T 7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N 22U d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N 22W 2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one +CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O 22X (3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N 22Y 3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid +CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 22Z 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O 230 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide +c1ccc(cc1)c2c[nH]cn2 231 4-phenyl-1h-imidazole +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC 232 1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane +COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O 233 [5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester +COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O 234 5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid +CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 235 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C 237 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O 238 6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N 239 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide +c1cc(c(c(c1)O)O)C=O 23A 2,3-dihydroxybenzaldehyde +C[C@H]([C@@](C)(C(=O)O)O)O 23B (2s,3r)-2,3-dihydroxy-2-methylbutanoic acid +c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O 23C 2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N 23D n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine +c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7 23E (2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid +c1ccc(cc1)\C=C(\C(=O)O)/N 23F (2z)-2-amino-3-phenylacrylic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N 23G guanosine-5'-phosphate-2',3'-cyclic phosphate +CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3 23H n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2 23I n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +c1ccc(c(c1)C(=O)C(=O)O)S 23J oxo(2-sulfanylphenyl)acetic acid +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F 23K 1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 23L (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N 23M 2-(3-methylphenyl)-1h-indole-5-carboximidamide +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O 23N (2r)-2-benzyl-3-nitropropanoic acid +CCC(=O)NC[C@@H](C(=O)O)N 23P 3-(propanoylamino)-l-alanine +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N 23Q (2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 23R (1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N 23S (s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O 23T 2',3'-dideoxy-thymidine-5'-triphosphate +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N 23U beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 23V n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +COC(=O)C(=C)CO 23W methyl 2-(hydroxymethyl)prop-2-enoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 23X n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide +c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O 23Y (2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1 23Z (2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O 240 (2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O 241 (2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F 242 3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 243 (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O 244 [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile +c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl 245 1-(2-chloropyridin-4-yl)-3-phenylurea +c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl 246 1-benzyl-3-(2-chloropyridin-4-yl)urea +c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O 247 (3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid +CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N 24A {[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid +c1cc(c(cc1F)F)CO 24B (2,4-difluorophenyl)methanol +c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl 24D n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide +c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2 24E 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one +CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O 24F (2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O 24G uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine +c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N 24H {[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid +c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I 24I (2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3 24K trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O 24L 4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid +CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N 24M (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid +CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N 24O (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid +c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3 24P (2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine +CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4 24Q 6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide +Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N 24R n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 24S n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +Cc1csc(n1)N 24T 2-amino-4-methylthiazole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N 24U 1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6 24V 9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine +c1cc2c(c(c1)N)CCNC2 24W 1,2,3,4-tetrahydroisoquinolin-5-amine +[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N 24X 2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid +Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl 24Y 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O 24Z 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid +C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O 250 (2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3 251 n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide +CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 252 (1-hydroxynonane-1,1-diyl)bis(phosphonic acid) +Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N 253 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine +CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 254 6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2 255 n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide +c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O 256 phenyl(sulfo)acetic acid +c1ccc(cc1)OCCCl 258 (2-chloroethoxy)benzene +CSc1ccc(cc1)[N+](=O)[O-] 259 1-(methylsulfanyl)-4-nitrobenzene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N 25A 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine +CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl 25B (1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C 25D 2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine +c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 25E n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br 25F 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5 25G n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide +c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N 25H {2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C 25K n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N 25L [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O 25N (3,5-di-tert-butylphenyl)boronic acid +Cc1cc(n2c(n1)nc(n2)N)c3ccccc3 25O 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine +c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl 25P 4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate +COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N 25Q 2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +Cc1cnc(cn1)C 25R 2,5-dimethylpyrazine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F 25S (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide +Cc1c[nH+]c(s1)N 25T 2-amino-5-methylthiazole +CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3 25U 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C 25V n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N 25W (1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N 25X 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane +B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N 25Y 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N 25Z [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone +c1cc(c(c(c1)F)CBr)F 260 2-(bromomethyl)-1,3-difluorobenzene +CCOc1ccccc1O 261 2-ethoxyphenol +c1ccc(c(c1)C=O)OP(=O)(O)O 262 2-formylphenyl dihydrogen phosphate +Cc1cccc(c1)CN=[N+]=[N-] 263 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)NCC#N 264 (phenylamino)acetonitrile +c1cc(sc1)[N+](=O)[O-] 265 2-nitrothiophene +CCCSCCO 266 2-(propylsulfanyl)ethanol +Cc1cccc(c1)CN=[N+]=[N-] 267 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)OCCO 268 2-phenoxyethanol +c1ccc(cc1)[C@@H](CCCl)O 269 (1r)-3-chloro-1-phenylpropan-1-ol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 26A 6n-dimethyladenosine +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C 26B o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine +c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F 26C 2',6'-difluorobiphenyl-4-carboxylic acid +c1cc(nc(c1)N)N 26D pyridine-2,6-diamine +B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N 26E 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC 26F (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1ncc(c(n1)N)Cc2cccc(c2)CCO 26G 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F 26J 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form +CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3 26K n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine +c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N 26L (1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine +c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26M n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F 26N nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 26O n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O 26P 2-amino-6-oxopimelic acid +c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26Q n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine +C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26R n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine +CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC 26S (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide +CC(=O)[C@H](C(=O)COP(=O)(O)O)O 26T (3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N 26U n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide +c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2 26V n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine +CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26W n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26Y n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine +c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 26Z 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C1=CC2=NC(N=C2C=C1)N 270 2h-benzoimidazol-2-ylamine +CNCc1ccccc1 271 n-methyl-1-phenylmethanamine +c1cc2c(cc1O)onc2c3ccc(cc3O)O 272 4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol +[H]/N=C(\C1CCCC1)/N 273 cyclopentanecarboximidamide +Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl 274 (3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide +Cc1ccc(c[n+]1C)N 275 5-amino-1,2-dimethylpyridinium +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl 276 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide +C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N 277 n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide +Cn1cccc1CN 278 1-(1-methyl-1h-pyrrol-2-yl)methanamine +CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC 279 n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N 27A (z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide +c1ccc2c(c1)ccc(c2Br)C(=O)O 27B 1-bromonaphthalene-2-carboxylic acid +CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O 27C 5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose +Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C 27D 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone +C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl 27E chlordecone +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N 27F 4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile +CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 27G benzyl butyl benzene-1,2-dicarboxylate +CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C 27H ferutinine +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N 27I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide +C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O 27J alpha-zearalanol +CCCCOC(=O)c1ccc(cc1)O 27K butyl 4-hydroxybenzoate +CC(C)(C)CC(C)(C)c1ccc(cc1)O 27L 4-(2,4,4-trimethylpentan-2-yl)phenol +c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O 27M bis(2,4-dihydroxyphenyl)methanone +c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O 27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol +C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O 27O (2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid +c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3 27P 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 27Q n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O 27R [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid +CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O 27S (5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N 27U n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide +[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O 27V (2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid +CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O 27W (3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol +CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N 27X ammosamide 272 +C1=C(C(=O)NC=C1Br)O 27Y 5-bromo-3-hydroxypyridin-2(1h)-one +c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N 27Z 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +Cn1cncc1C=O 280 1-methyl-1h-imidazole-5-carbaldehyde +CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 281 (2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +COc1cccnc1 282 3-methoxypyridine +CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S 283 (3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol +C[C@H]1CCNC(=C1)N 284 (4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine +CC1[C@H](O[C@@H](N1)C)C 285 (2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine +C[n+]1ccccc1C=C 286 2-ethenyl-1-methylpyridinium +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC 287 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O 288 5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O 289 d-glycero-alpha-d-manno-heptopyranose +COc1cccc(c1)C2=NC(=O)C(=CC2)O 28A 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one +c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N 28B 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O 28C 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol +COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4 28D (2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O 28E (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4 28F 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea +C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4 28G 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea +C[C@H]([C@@H](C(C)C)O)C(=O)O 28H (2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N 28I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide +CC[C@H](C)[C@H](C(=O)O)N 28J d-alloisoleucine +C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O 28K (2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC 28L n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O 28M n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide +c1cc2c(cc1Br)N3C(=NOC3=O)CO2 28N 8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one +CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O 28O 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one +C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O 28P n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine +CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O 28Q n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide +CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O 28R n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide +C=CCNc1c2cc(ccc2ncn1)Br 28S 6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine +C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O 28T 1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline +CC(=CCCC(=CCC[C@](C)(C=C)O)C)C 28U (3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol +CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O 28V n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3 28W 3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O 28X o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine +c1cn-2c(n1)NC(=O)c3c2nc[nH]3 28Y 3h-imidazo[2,1-b]purin-4(5h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 28Z n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid +CC1=NC(=O)Nc2c1nc[nH]2 290 6-methyl-3,9-dihydro-2h-purin-2-one +C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O 291 prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside +c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4 292 n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O 293 2-deoxy-beta-l-galacto-heptopyranose +c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO 294 n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F 295 (2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid +COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N 296 (3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid +C(CCCCCCN)CCCCCN 297 dodecane-1,12-diamine +C\C=C\C=NCCCC/N=C/C=C\C 298 n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine +Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O 299 2,6-diformyl-4-methylphenyl dihydrogen phosphate +Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO 29A 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccncc3)F 29B 4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29C n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3 29E (3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine +CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 29F 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one +c1c2c(nc(nc2ncn1)N)N 29G pyrimido[4,5-d]pyrimidine-2,4-diamine +c1c2c(ncn1)N=C(NC2=O)N 29H 2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one +CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O 29J 4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol +CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN 29K (7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O 29L 2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol +CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F 29M n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide +CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC 29N 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one +c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr 29O n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide) +Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 29P 3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O 29Q (5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol +Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O 29R 2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine +Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O 29S bazedoxifene +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N 29T 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N 29U 1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2 29V (3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid +Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 29W (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F 29X 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5 29Y (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5 29Z (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N 2A0 n-[(2s)-2-aminohexyl]-l-norleucine +C[C@@H](CO)N 2A1 (2s)-2-aminopropan-1-ol +c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS 2A2 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol +C[C@H](CO)N 2A3 (2r)-2-aminopropan-1-ol +CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C 2A4 (2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N 2A5 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate) +c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 2A6 2-anilino-6-cyclohexylmethoxypurine +COc1cc(cc(c1)O)O 2A7 5-methoxy-benzene-1,3-diol +c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N 2A8 2-amino-phenylamino-dibenzosuberone +COc1ccc(cc1O)CO 2A9 5-(hydroxymethyl)-2-methoxyphenol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O 2AA 5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt +c1cc(ccc1CCN)[S@@](=O)O 2AB 4-(2-aminoethyl)benzenesulfonic acid +Cc1ccc(c(c1)N)O 2AC 2-amino-p-cresol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N 2AD 2'-amino-2'-deoxyadenosine +c1ccc(c(c1)C(=O)N)N 2AE 2-amino-benzamide +c1ccc(c(c1)N)O 2AF 2-aminophenol +C=CC[C@@H](C(=O)O)N 2AG (2s)-2-aminopent-4-enoic acid +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 2AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cnc([nH]1)N 2AI 1h-imidazol-2-amine +C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AJ [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +Cc1cc2c(c(c1)Br)NC(=O)C2=O 2AK 7-bromo-5-methyl-1h-indole-2,3-dione +C1(=O)C(=NC(=O)N1)NC(=O)N 2AL 1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N 2AM adenosine-2'-monophosphate +c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O 2AN 8-anilino-1-naphthalene sulfonate +CCCC[C@@H](CO)N 2AO (2s)-2-aminohexan-1-ol +c1cc[nH+]c(c1)N 2AP 2-aminopyridine +c1ccc2c(c1)ccc(n2)N 2AQ quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N 2AR 2'-deoxyaristeromycin-5'-phosphate +C[C@H]([C]O)[C@@H](C(=O)(=O)O)N 2AS (2s,3s)-3-methyl-aspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C 2AT 2'-o-allyl thymidine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N 2AU 2'-aminouridine +C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AV [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O 2AW 6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid +C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O 2AX (3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid +CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O 2AY n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl 2AZ n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide +Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O 2B0 [2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O 2B1 (4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B2 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B3 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +c1cc(ccc1OC(C(=O)O)C(=O)O)Br 2B4 2-(4-bromanylphenoxy)propanedioic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3 2B5 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O 2B6 (4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3 2B7 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea +CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O 2B8 (5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid +CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O 2B9 [(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N 2BA (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C 2BB (2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br 2BC n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide +C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O 2BD n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl 2BE 4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O 2BF alpha-benzyl-aminobenzyl-phosphonic acid +c1ccc2c(c1)nc(s2)CN 2BG 1-(1,3-benzothiazol-2-yl)methanamine +[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O 2BH [(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-) +Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl 2BI 2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide +Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-] 2BJ 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O 2BK n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine +CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O 2BL (3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid +C(Br)Br 2BM dibromomethane +CC1([C@@H]2CC[C@]1(NC2)C)C 2BN (1r,4s)-2-azabornane +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O 2BO n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine +c1c2c([nH]cn2)nc(n1)N 2BP 9h-purin-2-amine +c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl 2BQ 2-hydroxysaclofen +c1ccc(c(c1)O)Br 2BR 2-bromophenol +CCOC(=O)c1ccc2c(c1)sc(n2)N 2BS ethyl 2-amino-1,3-benzothiazole-6-carboxylate +CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O 2BT 2'-o-butyl-thymidine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O 2BU (2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O 2BV (r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid +CCOC(OCC)P(=O)(CCCN)O 2BW (s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid +CC1(CO[C@H](CN1)CC(=O)O)C 2BX [(2s)-5,5-dimethylmorpholin-2-yl]acetic acid +c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl 2BY phaclofen +Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl 2BZ 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine +c1cc(ccc1[C@@H](CC(=O)O)CN)Cl 2C0 baclofen +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br 2C1 n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O 2C2 (2s)-2-hydroxy-2h-chromene-2-carboxylic acid +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl 2C3 n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC 2C4 methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate +Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl 2C5 2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile +c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4 2C6 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide +c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3 2C7 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4 2C8 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide +Cc1cccc(c1N)N 2C9 3-methylbenzene-1,2-diamine +CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3 2CA benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C 2CB 6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide +c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl 2CC 3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid +CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl 2CD 3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl 2CE n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C 2CF (2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N 2CG (1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid +c1ccc(c(c1)O)Cl 2CH 2-chlorophenol +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O 2CJ (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid +c1ccc2c(c1)CCNC2 2CK 1,2,3,4-tetrahydroisoquinoline +c1cc(c(c(c1)Cl)CC(=O)O)Cl 2CL (2,6-dichlorophenyl)acetic acid +Cc1cccc(c1N)Cl 2CM 2-chloro-6-methyl-aniline +CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br 2CN 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid +C([C@@H](C(=O)O)N)SOO 2CO s-hydroperoxycysteine +C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O 2CP 2-carboxypropyl-coenzyme a +Cc1cc(c(cc1Cl)N)N 2CQ 4-chloro-5-methylbenzene-1,2-diamine +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C 2CR (1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid +CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4 2CS 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC 2CT (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N 2CU 3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide +CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O 2CV hega-10 +C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O 2CW 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide +CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O 2CX n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide +c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N 2CY 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine +CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 2CZ n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1cc2c(c(c1)Cl)nc(s2)N 2D0 4-chloro-1,3-benzothiazol-2-amine +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C 2D1 n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide +Cc1c(cc(o1)c2ccccc2)C(=O)O 2D2 2-methyl-5-phenylfuran-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccno2)C(=O)OC 2D3 methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O 2D4 n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide +c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 2D5 5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine +c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N 2D6 n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide +CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl 2D7 n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide +C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O 2D8 (2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl 2D9 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N 2DA 2',3'-dideoxyadenosine-5'-monophosphate +[B-](O)(O)(O)OC[C@H](CO)O 2DB (s)-(2,3-dihydroxypropoxy)trihydroxyborate +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O 2DC (3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol +c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N 2DD 3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide +CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C 2DE (2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O 2DF n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide +C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2DG 2-deoxy-alpha-d-galactopyranose +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F 2DH [5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O 2DI 9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DJ (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3 2DK {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CCN(CC)C(=O)c1ccc(c(c1)OC)O 2DL 2-methyl-4-diethylamide-phenol +c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O 2DM 2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DN [2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid +CCCC[C@@H](C(O)O)N 2DO (2s)-2-aminohexane-1,1-diol +CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2DP 3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol +COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DQ (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR 2-deoxy-beta-d-erythro-pentofuranose +c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 2DS n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O 2DT 3'-deoxythymidine-5'-monophosphate +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3 2DU {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F 2DV [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3 2DW {5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 2DX (3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 2DY (3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F 2DZ [5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3 2E1 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O 2E2 1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 2E3 (2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid +c1cc(cnc1)COP(=O)(O)OP(=O)(O)O 2E4 pyridin-3-ylmethyl trihydrogen diphosphate +c1cnccc1COP(=O)(O)OP(=O)(O)O 2E5 pyridin-4-ylmethyl trihydrogen diphosphate +c1ccnc(c1)COP(=O)(O)OP(=O)(O)O 2E6 pyridin-2-ylmethyl trihydrogen diphosphate +c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl 2E7 (6-chloropyridin-3-yl)methyl trihydrogen diphosphate +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N 2E8 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl 2E9 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N 2EA (1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine +c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl 2EB 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCn1cnc2c1ncnc2N 2EC 9-ethyl-9h-purin-6-ylamine +CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O 2ED n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide +C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl 2EE 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2 2EF 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 2EG 2'-deoxy-n-ethylguanosine 5'-phosphate +CCCC[C@H](CC)CO 2EH (2s)-2-ethylhexan-1-ol +C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2 2EJ 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea +c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl 2EK 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO 2EL (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol +Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3 2EM 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl 2EN 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5 2EO 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide +CC[C@H]1CCCCN1 2EP 2-ethylpiperidine +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4 2EQ 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N 2ER [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O 2ET n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine +c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O 2EU 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl 2EV (3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 2EW (3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N 2EX (4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4 2EY 4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one +CCc1[nH]ccn1 2EZ 2-ethylimidazole +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl 2F0 2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br 2F1 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +COC 2F2 dimethyl ether +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl 2F3 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F 2F4 2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 2F5 1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone +Cc1c(cn(n1)C)c2cc[nH]n2 2F6 1',3'-dimethyl-1h,1'h-3,4'-bipyrazole +CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F7 n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 2F8 methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F9 n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N 2FA 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5 2FB (6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine +CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4 2FC n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N 2FD 5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 2FE 2'-fluoro-2'-deoxy-1,n6-ethenoadenine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 2FF (5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O 2FG 2-deoxy-2-fluoro-beta-d-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C 2FH 2-phenylheme +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O 2FI 2'-fluoro-2'-deoxyinosine +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1 2FJ tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer +[O-]=O 2FK superoxo ion +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O 2FL 2-fluoro-2-deoxy-lactose +C(CSC(F)F)[C@@H](C(=O)O)N 2FM s-(difluoromethyl)homocysteine +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 2FN n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +C(=CO)C=C(C(=N)C(=O)O)C(=O)O 2FO (2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid +C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O 2FP 1,6-fructose diphosphate (linear form) +Cc1ncc2c(n1)N(C(=O)C(=C2)N)C 2FQ 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4 2FR 3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide +c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 2FS (1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(CC(C(=O)O)(F)F)C(=O)O 2FT 2,2-difluoropentanedioic acid +C(=CC=O)C=O 2FU but-2-enedial +c1ccc2c(c1)cc(s2)CC(=O)O 2FX 1-benzothiophen-2-ylacetic acid +CCC(=O)c1ccc(cc1O)O 2FY 1-(2,4-dihydroxy-phenyl)-propan-1-one +CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5 2FZ (3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O 2G0 (2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F 2G1 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide +C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N 2G2 l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(C)(C)CCN 2G3 3,3-dimethylbutan-1-amine +c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2G4 n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid +c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2G5 n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G6 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G7 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G8 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid +CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G9 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC 2GA 2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole +c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GB n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O 2GC p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid +CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl 2GD 6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine +c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 2GE n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine +C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl 2GF [(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 2GG 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 2GH n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4 2GJ 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O 2GK (2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C 2GL 4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C 2GM dihydroergotamine +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6 2GN n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide +CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C 2GO [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N 2GP guanosine-2'-monophosphate +c1ccc2c(c1)C=C(NC2=O)N3CCCC3 2GQ 3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one +c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GR n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid +CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2GS 2-o-methyl-alpha-d-galactopyranose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C 2GT 2'-o-propargyl thymidine-5'-monophosphate +CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C 2GU 5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GV (4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 2GW 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate +c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N 2GX beta-phenyl-l-phenylalanine +CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GY (4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2GZ p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid +CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2H0 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N 2H1 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F 2H2 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide +C1(C(C(C(C(C1O)O)O)O)O)O 2H3 (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol +c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O 2H4 (1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O 2H5 3-deoxy-3-fluoro-beta-d-galactopyranose +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F 2H7 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O 2H8 (3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2H9 n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +C(C(=O)CO)O 2HA dihydroxyacetone +c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5 2HB n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide +c1ccc(c(c1)\C=C\C(=O)O)O 2HC (2e)-3-(2-hydroxyphenyl)acrylic acid +CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC 2HD (2r)-2,3-dibutoxypropyl (r)-octylphosphinate +C(CP(=O)(O)O)O 2HE (2-hydroxyethyl)phosphonic acid +c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N 2HF 2-fluoro-l-histidine +C(CC(=O)O)[C@H](C(=O)O)O 2HG (2r)-2-hydroxypentanedioic acid +Cn1c(ccn1)C(=O)Nc2cccnc2 2HH 1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide +c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O 2HI (2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3 2HJ 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide +COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O 2HK 4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol +c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5 2HL 1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide +CC(C)C[C@H](CC(=O)NO)C(=O)O 2HM (2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid +C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 2HN (1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1cc(c(cc1C(=O)N)F)F 2HO 3,4-difluorobenzamide +OP(=O)(O)[O-] 2HP dihydrogenphosphate ion +c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ 5-chloro-1h-indole-2,3-dione +CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1 2HR hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester +CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1 2HS hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester +Cc1cccc(c1)C#N 2HT 3-methylbenzonitrile +c1cc2c(cc[nH]2)cc1[N+](=O)[O-] 2HU 5-nitro-1h-indole +CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3 2HV 2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N 2HW 3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide +C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 2HX n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO 2HY 2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O 2HZ (2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N 2IA 2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate) +Cc1ccccc1I 2IB 2-iodobenzyl group +CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl 2IC 5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid +CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O 2ID [(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IE 2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br 2IF ~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC 2IG 6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine +c1cn(cn1)CCCCCCn2ccnc2 2IH 1,1'-hexane-1,6-diylbis(1h-imidazole) +[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IJ 5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N 2IK 6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine +CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC 2IL (3r)-3-(dodecanoyloxy)tetradecanoic acid +C1CCNC(=N)C1 2IM piperidin-2-imine +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N 2IN n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide +CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C 2IO (3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione +[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O 2IP d-myo-inositol-1,4-bisphosphate +Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C 2IR n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine +[H]/N=C(/CCC(=O)O)\C(=O)O 2IT (2z)-2-iminopentanedioic acid +Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 2IW 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide +CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C 2IX n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide +Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 2J0 (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3 2J1 6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O 2J2 (1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O 2J3 (2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O 2J4 (3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1cccnc1NCc2ccccc2O 2J5 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol +c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3 2J6 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol +c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O 2J7 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol +CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 2J8 (4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3 2J9 4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO 2JA [(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid +CCNCC(=O)O 2JC n-ethylglycine +CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O 2JD (2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid +c1c(nc[nH]1)C(=O)SCCN 2JE s-(2-aminoethyl) 1h-imidazole-4-carbothioate +CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O 2JF (2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate +CCCCCC(=O)OC[C@@H](C=O)N 2JG (2s)-2-amino-3-oxopropyl hexanoate +C1CC(C1)C[C@@H](C(=O)O)N 2JH 3-cyclobutyl-l-alanine +CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O 2JI (5-ethyl-2-methyl-1h-indol-3-yl)acetic acid +C(C[C@H](C(=O)O)N)CP(=O)(O)O 2JJ 5-phosphono-d-norvaline +Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C 2JK 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O 2JL (2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid +c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br 2JM 2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CCCC[C@](C)(C(=O)O)N 2JN 2-methyl-d-norleucine +c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O 2JP 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid +Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F 2JQ 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid +c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5 2JR 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO 2JT 1,3-dihydroxypropan-2-yl octadecanoate +c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 2JU 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5 2JV n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O 2JW 1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3 2JX 5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O 2JY 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid +COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F 2JZ n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine +c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl 2K0 [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone +Cc1ccc(o1)C(=O)O 2K1 5-methylfuran-2-carboxylic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC 2K2 pkc412 +CC(C)CC(=O)CC(=O)O 2K3 3-oxo-5-methylhexanoic acid +c1cc2cn[nH]c2cc1O 2K4 1h-indazol-6-ol +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC 2K5 n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC 2K6 (3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile +Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC 2K7 n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O 2K8 (6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid +c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5 2K9 9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one +c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O 2KA 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C 2KB 4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile +CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N 2KC 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol +COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O 2KD 6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N 2KE (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N 2KF (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide +CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C 2KG (4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O 2KH 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC 2KJ n~5~-(n-ethoxycarbamimidoyl)-l-ornithine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F 2KK n~6~-(4-fluorobenzoyl)-l-lysine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4 2KL 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC 2KN n,n',n''-triethylbenzene-1,3,5-tricarboxamide +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC 2KO 2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br 2KP n~6~-(4-bromobenzoyl)-l-lysine +C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2KQ (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid +Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC 2KR n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine +c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3 2KS 1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine +CCC(=O)C(=O)O 2KT 2-ketobutyric acid +COCCCNc1c2c([nH]cn2)ncn1 2KU n-(3-methoxypropyl)-9h-purin-6-amine +c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN 2KV 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one +CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F 2KW 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile +c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O 2KX (1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate +C1CCC(C1)[C@@H](C(=O)O)N 2KY (2s)-amino(cyclopentyl)ethanoic acid +C(=C(\C(=O)O)/N)\C(=O)O 2KZ 2-amino maleic acid +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O 2L0 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide +Cc1c([nH]cn1)CN2CCc3ccccc3C2 2L1 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline +Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N 2L2 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2L3 (2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O 2L4 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 2-chloro-l-phenylalanine +C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1 2L6 (3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid +CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br 2L7 4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O 2L8 [(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O 2L9 (3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN 2LA 2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2LB (2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4 2LC 2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +c1ccc(cc1)CCC2=CNC(=O)C(=C2)O 2LD 3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one +CCCCC[C@H]1CC[C@@H](O1)O 2LE (2r,5s)-5-pentyltetrahydrofuran-2-ol +C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O 2LF (6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl 2LG 2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O 2LI n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O 2LJ 1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl 2LK 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 2LL 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O 2LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid +CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1 2LN 1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC 2LO 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole +C=CCc1ccccc1O 2LP 2-allylphenol +c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2 2LQ 4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LR n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N 2LS (1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol +c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N 2LT 3,5-dichloro-l-tyrosine +CC(C)C[C@@H](C)N 2LU 2-amino-4-methyl-pentanyl group +CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LV n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide +CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1 2LW 1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone +CNC(=O)c1ccccc1OC2CCOCC2 2LX n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide +CNC(=O)c1c2c(cs1)OCCO2 2LY n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide +c1cc2c(cc1F)c(c[nH]2)CC(=O)O 2LZ (5-fluoro-1h-indol-3-yl)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)N 2M0 (3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2M1 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4 2M2 n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine +Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5 2M3 2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 2M4 2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O 2M5 methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside +C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O 2M7 (2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 2M8 (2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid +COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 2M9 8-methoxypyrene-1,3,6-trisulfonic acid +CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1 2MA 2-methyladenosine-5'-monophosphate +CC=C(C)C 2MB 2-methyl but-2-ene +CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2MC methacrylyl-coenzyme a +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N 2MD guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +CCOC 2ME methoxyethane +CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 2MG 2n-methylguanosine-5'-monophosphate +CC1CCC(CC1)N 2MH cis-4-methylcyclohexanamine +Cc1cc2ccccc2[nH]1 2MI 2-methyl-1h-indole +CC(C)C[C@@H]([C@H](CO)O)N 2MJ (2r,3s)-3-amino-5-methylhexane-1,2-diol +CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2MK n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide +CC(C)C[C@@](C)(C(=O)O)N 2ML 2-methylleucine +CN(C)[C@@H](CCSC)C(=O)O 2MM n,n-dimethyl-l-methionine +Cc1ncc(n1CCO)[N+](=O)[O-] 2MN metronidazole +O=[Mo]=O 2MO molybdenum (iv)oxide +Cc1ccc(cc1C)O 2MP 3,4-dimethylphenol +CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N 2MQ 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN/C(=N/C)/NCCC[C@@H](C(=O)O)N 2MR n3, n4-dimethylarginine +CC1(N[C@@H](CS1)C(=O)O)C 2MT (4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 2MU 2',5-dimethyluridine-5'-monophosphate +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 2MV (1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O 2MX (2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name) +Cc1cccc(c1O)C 2MY 2,6-dimethylphenol +Cc1[nH]ccn1 2MZ 2-methylimidazole +CCc1cc2c(n1Cc3ccccc3)CCCC2=O 2N0 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one +c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O 2N2 2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid +CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F 2N5 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide +Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N 2N6 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC 2N7 (1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide +CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3 2N8 (2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide +CCOC(=O)c1cnc2ccccc2c1N 2N9 ethyl 4-aminoquinoline-3-carboxylate +c1ccc2cc(ccc2c1)CO 2NA naphthalen-2-ylmethanol +c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N 2NB 3-nitroquinolin-4-amine +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 2NC n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O 2ND 2'-deoxyinosine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O 2NE salicylyl coa +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N 2NF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate +Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O 2NG 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C 2NH n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine +CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO 2NI n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea +CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3 2NJ (4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F 2NK 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol +CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl 2NL 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide +COc1cccc(c1)c2cc([nH]n2)C(F)(F)F 2NM 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole +N(=O)[O] 2NO nitrogen dioxide +C=C(CCC[C@@H](C(=O)O)N)C(=O)O 2NP l-2-amino-6-methylene-pimelic acid +c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5 2NQ n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide +COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F 2NR 7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5 2NS 7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO 2NT 2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate +CN(C1CC1)C(=O)Cn2cc(cn2)Br 2NU 2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide +CCOCCOCCOCCOCCOC[C@@H](C)N 2NV 3,6,9,12,15-pentaoxaoctadecan-17-amine +c1ccc2c(c1)c(c(cn2)Br)N 2NW 3-bromoquinolin-4-amine +COP(=O)(NC(=O)c1ccccc1)OC 2NX dimethyl benzoylphosphoramidate +CCN(CC)c1nc2ccccc2c(n1)N 2NY n~2~,n~2~-diethylquinazoline-2,4-diamine +CC(=O)Cn1cnc2c1cccc2 2NZ 1-(1h-benzimidazol-1-yl)propan-2-one +c1ccc2c(c1)ncn2CCC(=O)N 2O0 3-(1h-benzimidazol-1-yl)propanamide +c1ccc2c(c1)c3c(cn2)C(=O)CCN3 2O1 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O 2O2 1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4 2O3 (3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC 2O4 (3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4 2O5 (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid +c1cc2c(cc1C(F)(F)F)c(no2)N 2O6 5-(trifluoromethyl)-1,2-benzoxazol-3-amine +c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N 2O7 7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile +c1cc(ccc1C(=O)N)SC(F)(F)F 2O8 4-[(trifluoromethyl)sulfanyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 2OA 2'deoxyadenosine-5'-triphosphate +CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C 2OB cholesteryl oleate +COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N 2OD 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine +Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O 2OE 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol +[OH2][Fe+2][OH2] 2OF ferrous ion, 2 waters coordinated +C(CC(=O)O)C(=O)C(=O)O 2OG 2-oxo-glutaric acid +CC(C)(c1ccc(cc1)O)c2ccc(cc2)O 2OH 4,4'-propane-2,2-diyldiphenol +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 2OJ n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC 2OK 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine +COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O 2OL 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol +C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O 2OM 5,6-dihydroorotidine 5'-monophosphate +c1[nH]c2c(n1)C(=O)NC(=N2)S 2ON 2-sulfanyl-1,9-dihydro-6h-purin-6-one +CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O 2OO 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol +C[C@@H](C(=O)O)O 2OP (2s)-2-hydroxypropanoic acid +Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O 2OQ 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol +C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N 2OR amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O 2OS 3-n-octanoylsucrose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C 2OT 2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 2OU (2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O 2OV (1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC 2OW methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O 2OX (2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O 2OY n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form) +c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F 2OZ (2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O 2P0 1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F 2P1 n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O 2P2 1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one +c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3 2P3 5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P4 (5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4 2P5 4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide +c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N 2P6 (2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O 2P7 [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone +c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P8 (2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 2P9 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +NP(=O)(N)O 2PA diamidophosphate +c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-] 2PB 2-[(dioxidophosphino)oxy]benzoate +C1CC(=[NH+]C1)C(=O)[O-] 2PC 3,4-dihydro-2h-pyrrolium-5-carboxylate +CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC 2PD 5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCO)O 2PE nonaethylene glycol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O 2PF [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate +C([C@H](C(=O)O)OP(=O)(O)O)O 2PG 2-phosphoglyceric acid +C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O 2PH [7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate +CCC[C@@H](C(=O)O)N 2PI 2-amino-pentanoic acid +CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F 2PJ tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1 2PK (5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one +C(C(=O)O)OP(=O)(O)O 2PL phosphoglycolic acid +CN(C)CCOC(c1ccccc1)c2ccccc2 2PM n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine +N(P(=O)(O)O)P(=O)(O)O 2PN imidodiphosphoric acid +[O-]P(=O)[O-] 2PO phosphonate +CCCC(CCC)C(=O)O 2PP 2-propyl-pentanoic acid +CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5 2PQ 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 2PR 2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N 2PS phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate +CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4 2PT 1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine +c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O 2PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1 2PV (5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one +CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S 2PW (5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N 2PX n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2 2PY (2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN 2PZ n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide +CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S 2Q0 (5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one +C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O 2Q2 l-galactonic acid +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O 2Q4 n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide +C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O 2Q5 (2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2Q6 methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate +C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N 2Q7 n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide +CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C 2Q8 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide +CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C 2Q9 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4 2QA 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +Cc1ncc(c(n1)N)CN=[N+]=[N-] 2QB 5-(azidomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1CN)c2csnn2 2QC 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine +CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QD (4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid +COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QE (2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid +c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2QF n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide +c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl 2QG 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine +Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F 2QH (8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O 2QJ (2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C 2QK n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O 2QL (11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O 2QM n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I 2QN n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O 2QO (2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid +c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O 2QP n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O 2QQ n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O 2QR (2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I 2QS (2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name) +c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N 2QT n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide +c1cc(nc2c1ncnc2N)c3ccnc(c3)F 2QU 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine +c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N 2QV 6-(3-chlorophenyl)quinazolin-4-amine +Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N 2QW (2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2QX methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +CN/C(=C\c1ccc(cc1)O)/C(=O)O 2QY (2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid +C[C@H]([C@@H](C(=O)O)N(C)C)O 2QZ n,n-dimethyl-l-threonine +C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO 2R1 (2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid +Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F 2R2 [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone +COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O 2R3 (betar)-beta-hydroxy-o-methyl-l-tyrosine +c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 2R4 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4 2R5 n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4 2R6 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I 2R7 n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C 2R8 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C 2R9 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +C([C@H](C(=O)O)N)N 2RA 3-amino-d-alanine +COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 2RB n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide +CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C 2RC [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate +CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O 2RD 5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O 2RE 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O 2RF 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 2RG (2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)C[C@H](C(=O)O)O 2RH (2r)-2-hydroxy-4-methylpentanoic acid +C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O 2RI (2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide +Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RJ 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine +C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 2RK 4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl 2RL n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide +c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2RM n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O 2RN 3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol +CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O 2RO 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCC[C@@H](C)O 2RP (2r)-pentan-2-ol +COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RQ 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine +c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N 2RR 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile +Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C 2RS 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C 2RT 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F 2RU 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea +CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F 2RV 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N 2RW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C([C@@H](C(=O)O)N)OP(=O)(O)S 2RX o-thiophosphono-l-serine +c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F 2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone +[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC 2RZ n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide +CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C 2S0 [(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate +COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O 2S1 2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide +CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S2 (2s)-2-(1h-indol-3-yl)hexanoic acid +CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S3 (2s)-2-(1h-indol-3-yl)pentanoic acid +[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC 2S4 2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S6 4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S7 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile +CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S8 (2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid +c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S9 4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O 2SA 2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid +c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N 2SB (2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide +c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4 2SC (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O 2SE 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N 2SF 4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N 2SG guanosine phosphorodithioate +c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F 2SH n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O 2SI 2-o-sulfo-a-l-iduronic acid +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC 2SJ n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2 2SK (1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol +CCC[C@H](C)O 2SL (2s)-pentan-2-ol +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 2SM methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N 2SN 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine +c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O 2SO 3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 2SP (1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate +Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C 2SQ (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid +Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC 2SR (2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol +C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 2SS (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C 2ST 5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N 2SU alpha-(fluoromethyl)-d-tryptophan +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2SW [(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid +c1cc2c(cc1Br)c(c[nH]2)CC(=O)O 2SX (5-bromo-1h-indol-3-yl)acetic acid +c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O 2SY [1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid +CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO 2SZ 6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide +c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2 2T0 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate +c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F 2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid +C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O 2T2 [1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid +c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O 2T3 (2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2 2T4 {[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2 2T5 [(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid +c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O 2T6 {[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-] 2T7 [1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl 2T8 carbonyl(tetrachloro)oxidoiridium +COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-] 2T9 [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 2TA n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+] 2TB 1,3-diamino-4,5,6-trihydroxy-cyclohexane +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C 2TC (4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile +CC(=O)CCCCCCCCCC=C 2TD tridec-12-en-2-one +CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2TE (2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol +CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N 2TF (2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N 2TG 5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine +c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl 2TH 2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C 2TI (2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N 2TJ 4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br 2TK 2-(2-bromophenoxy)-5-hexylphenol +C[C@H]([C@H](C(=O)O)N)O 2TL d-allothreonine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O 2TM 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +CC(C)NCC(COc1ccc(cc1)CC(=O)N)O 2TN 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide +c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O 2TO 2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol +Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O 2TP 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate +C1C[C@H](N2[C@@H]1CC2=O)C(=O)O 2TQ (2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N 2TR 6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 2TS (2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide +c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 2TT 2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 2TU 1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O 2TV (2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl 2TW [(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C 2TX (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane +c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N 2TY 2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2TZ [(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O 2U0 (2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid +C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U1 6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O 2U2 (2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid +CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O 2U3 (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O 2U4 (4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O 2U5 6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid +C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U6 6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2U7 [(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O 2U8 mavoglurant +Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3 2U9 n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N 2UA (3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one +c1cc(ccc1/C=C(\C(=O)O)/S)Cl 2UB (z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid +[H]/N=C(\N)/NCc1cccc(c1)CC=O 2UC 1-[3-(2-oxoethyl)benzyl]guanidine +c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O 2UD 3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid +[H]/N=C(/N)\NCc1ccc(cc1)CC=O 2UE 1-[4-(2-oxoethyl)benzyl]guanidine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O 2UF l-gulonate +c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N 2UG 4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine +CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1 2UH n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) +C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2UI (3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1 2UJ n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1 2UK 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O 2UL 3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid +COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC 2UN {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O 2UO mevastatin, compactin +[H]/N=C(\c1ccc2ccccc2c1)/N 2UP naphthalene-2-carboximidamide +[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2 2UQ n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide +C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F 2UR (2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O 2US (2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O 2UT (2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O 2UU 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid +CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O 2UV 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid +C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O 2UW (2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2UX (2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O 2UY (2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol +C1C=C(NC(S1)C(C(=O)O)N)C(=O)O 2UZ (2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O 2V0 (2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6 2V1 4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide +Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C 2V2 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea +CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 2V3 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O 2V4 rabelomycin +[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 2V5 n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F 2V6 n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O 2V7 (1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol +Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O 2V8 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O 2V9 lestaurtinib +CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 2VA 2'-(l-valyl)amino-2'-deoxyadenosine +[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C 2VC n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VD (2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O 2VE (2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O 2VF (2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O 2VG (2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N 2VH (2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O 2VJ 2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid +c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2VK 4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C 2VL n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VM (2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 2VN 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 2VO phytochromobilin, bound form +Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VP (2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-] 2VQ n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide +Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VR (2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +C(=C/C=O)\C=C(\C(=O)O)/O 2VS (2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N 2VT n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide +c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VU n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VV n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VW n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F 2VX n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +Cc1c(csc1C=O)Cc2cnc(nc2N)C 2VY 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde +Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2VZ (2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2W0 (2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5 2W1 1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O 2W2 n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O 2W3 2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide +c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6 2W4 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC 2W5 (1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide +CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C 2W6 n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S 2W7 n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O 2W8 3-(3'-nitrobiphenyl-3-yl)propanoic acid +c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O 2W9 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid +CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O 2WA (1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol +c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] 2WB {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid +Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 2WC 3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid +CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O 2WD (1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol +COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WE 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4 2WF n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide +COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WG 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide +CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC 2WH 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea +Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N 2WI 6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide +CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3 2WJ n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC 2WK n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl 2WL (1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O 2WM (1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F 2WN 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate +C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N 2WP s-ribosylhomocysteine +C#CCNC(=O)c1ccc(cc1OCC(=O)O)F 2WQ [5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid +c1cc(c(cc1F)OCC(=O)O)C(=O)N 2WR (2-carbamoyl-5-fluorophenoxy)acetic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O 2WS beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose +Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O 2WT 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N 2WU 6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2WV (3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CC(C)C[C@@H](N)P(=O)(O)O 2WW [(1s)-1-amino-3-methylbutyl]phosphonic acid +c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WX n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WY n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O 2WZ n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +c1ccc(cc1)CC[C@H](N)P(=O)(O)O 2X0 [(1r)-1-amino-3-phenylpropyl]phosphonic acid +[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N 2X1 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide +C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 2X3 (8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2 2X4 (4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2 2X5 (4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O 2X6 7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one +[H]/N=C/1\C=CC=COC1=O 2X7 (3e)-3-iminooxepin-2(3h)-one +Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F 2X9 {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid +c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N 2XA (2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid +c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 2XB n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid +c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O 2XC (2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one +c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O 2XD (2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one +c1cc(ccc1S)Br 2XE 4-bromobenzenethiol +CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3 2XF tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate +c1cc(c(cc1S)F)F 2XG 3,4-difluorobenzenethiol +c1ccc2c(c1)cccc2S 2XH naphthalene-1-thiol +C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O 2XI (2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N 2XJ 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol +COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N 2XK 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile +CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N 2XL 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N 2XM 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) +Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2XN n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1ccc2c(c1)[nH]c(n2)CS 2XO 1h-benzimidazol-2-ylmethanethiol +[H]/N=C(/C/C=C\C=O)\C(=O)O 2XP (2z,4z)-2-imino-6-oxohex-4-enoic acid +Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F 2XQ 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine +c1ccc2c(c1)c(c[nH]2)C(=O)CCl 2XR 2-chloro-1-(1h-indol-3-yl)ethanone +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 2XS 4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C 2XT propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C 2XU propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O 2XW prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside +CC[C@@H]1C(=O)C(=C(O1)C)O 2XX (2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2 2XY n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N 2XZ 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol +CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N 2Y0 n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y1 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3 2Y2 n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC 2Y3 n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3 2Y4 n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC 2Y5 (2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O 2Y6 n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N 2Y7 (s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y8 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3 2Y9 (3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-] 2YA 4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline +Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C 2YB [(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid +C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N 2YC n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C 2YD (5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one +CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2 2YE 2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide +C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N 2YF n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine +C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N 2YG n~6~-l-lysyl-l-lysine +C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN 2YH n~5~-d-ornithyl-l-ornithine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br 2YI methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate +C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N 2YJ n~5~-d-lysyl-l-ornithine +Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC 2YK 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine +c1ccc(cc1)C2=NC(=O)NC(=N2)N 2YL 6-amino-4-phenyl-1,3,5-triazin-2(1h)-one +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N 2YM 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O 2YN (1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O 2YO 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C 2YP (2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid +Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F 2YQ (8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O 2YR 2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N 2YS d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide +[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N 2YT l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC1=CC(=S)N(C=C1)O 2YU 1-hydroxy-4-methylpyridine-2(1h)-thione +c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YV 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YW methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N 2YX 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O 2YY 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F 2YZ [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl 2Z0 n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide + 2Z3 n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide +CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC 2Z4 benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate + 2Z5 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N 2ZC o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine +C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O 2ZE (3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol + 2ZF n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F 2ZI 8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO 2ZL n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1cc2c(cc1[N+](=O)[O-])nc[nH]2 2ZM 5-nitro-1h-benzimidazole +C[N+](C)(C)CCCC=O 2ZO n,n,n-trimethyl-4-oxobutan-1-aminium +c1cc2cccnc2c(c1)[N+](=O)[O-] 2ZQ 8-nitroquinoline +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O 2ZS n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide +c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 2ZT 2-[(quinolin-7-yloxy)methyl]quinoline +Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3 2ZU 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline +Cc1ccnc(c1[N+](=O)[O-])N 2ZV 4-methyl-3-nitropyridin-2-amine +Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C 2ZW 3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide +c1c(nc(nc1Cl)N)N 2ZX 6-chloropyrimidine-2,4-diamine +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F 2ZY (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one +CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C 2ZZ (5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1OP(=O)(O)O)C=O 300 2-formyl-6-methoxyphenyl dihydrogen phosphate +C\C=C/C\C=N\c1c2c([nH]cn2)ncn1 301 n6-(penta-2,3-dienyl)adenine +c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O 302 4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 303 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide +CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC 304 n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6 306 3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one +Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F 307 6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one +C1C2CC3CC1CC(C2)(C3)N 308 (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl 30A 6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC 30B (2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide +CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 30E (3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid +C(=C(/C(=O)O)\N)\[SeH] 30F (2z)-2-amino-3-selanylprop-2-enoic acid +c1ccc2c(c1)N3CC(=O)NN=C3CO2 30G 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO 30H n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N 30I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl 30J 6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile +CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3 30K (3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O 30M n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O 30N (3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO 30O n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO 30P n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C 30Q s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO 30R n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O 30S 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5 30T trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol +c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N 30U 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N 30V s-[(2-carbamoylphenyl)selanyl]-l-cysteine +CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1 30W n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide +C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N 30X n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide +C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O 30Z 4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C 310 n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide +Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C 311 (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone +COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-] 312 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate +CS(C)CC(=O)O 313 (dimethyl-lambda~4~-sulfanyl)acetic acid +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C 314 n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 315 (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C 316 n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N 317 (2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C 318 n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F 319 n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3 31A n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O 31B benzoyl-oxydephosphocoenzyme a +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid +c1cc(oc1)C/N=C\S 31E (z)-[(furan-2-ylmethyl)imino]methanethiol +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N 31F 4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N 31G 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O 31H 3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 31I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one +Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O 31J 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one +Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C 31K 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol +Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3 31L 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol +CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N 31M 3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate) +COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O 31N 6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 31O methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 31P methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N 31Q (4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O 31R 3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl 31S (2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O 31T 4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N 31U d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6 31V n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide +c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F 31W 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea +c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6 31X 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid +c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5 31Y n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 31Z 2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F 320 2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C 321 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide +CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O 322 [(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O 323 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F 324 n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide +CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F 325 n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide +Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 326 2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid +[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC 327 (3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine +COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile +C[C@H]1CN=C(c2c(ccs2)O1)N 329 (2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC 32A 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide +CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C 32B 2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32C 2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5 32D (1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32E 2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O 32F 2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid +c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 32G (3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br 32H 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N 32I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O 32J 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O 32K 2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O 32L ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate +CCCCCCCCOCCOCCOCCOCCOCCOCCO 32M 3,6,9,12,15,18-hexaoxahexacosan-1-ol +C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O 32O beta-l-ribofuranose +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN 32P 3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O 32Q (2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O 32R (2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N 32S (s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid +c1csc2c1[nH]cc2C[C@@H](C(=O)O)N 32T (s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N 32U d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide +CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3 32V 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one +COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 32W n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide +c1cc2c(c(c1)N)CC=NC2=O 32X 5-aminoisoquinolin-1(4h)-one +c1cc2c(c(c1N)I)C=CC(=O)O2 32Y 6-amino-5-iodo-2h-chromen-2-one +c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O 32Z 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one +COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O 330 9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F 331 (2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid +c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2 332 (3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5 333 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine +Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 334 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate +c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 335 [4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid +c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl 336 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide +Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C 337 n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide +c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O 338 2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol +CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br 339 (s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide +c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl 33A n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide +c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl 33B 3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O 33C 4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CC(C)(C)CCO 33D 3,3-dimethylbutan-1-ol +c1cc(c(cc1C(=O)N)[N+](=O)[O-])I 33E 4-iodo-3-nitrobenzamide +CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F 33F n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N 33G (4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O 33H 3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N 33I 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4 33J 3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid +c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O 33K n-benzyl-n-(carboxymethyl)glycyl-l-histidine +c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2 33L n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide +CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N 33M n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3 33N n-(3,3-diphenylpropyl)pyridine-3-carboxamide +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 33O 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O 33P {3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O 33R (2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S 3-iodo-l-phenylalanine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F 33T 3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N 33U beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO 33V (3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid +c1cc(sc1C[C@@H](C(=O)O)N)Br 33W 3-(5-bromothiophen-2-yl)-l-alanine +C[C@H](C(=O)O)NC 33X n-methyl-d-alanine +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 33Y 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O 33Z (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3 340 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione +c1c(cc(cc1F)F)CO 341 (3,5-difluorophenyl)methanol +c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5 342 (3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O 343 (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid +c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N 344 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO 345 4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N 346 (r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid +CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO 347 tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N 348 4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5 349 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1C)N 34A 3,4-dimethylaniline +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C 34B 2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine +CCCOc1ccc(cc1Cl)CC(=O)O 34C (3-chloro-4-propoxy-phenyl)-acetic acid +c1c(cc(cc1O)O)C(=O)O 34D 3,5-dihydroxybenzoate +C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC 34E (3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine +c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl 34F (1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid +CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC 34G emetine +c1cc(ccc1C[C@H](C(=O)O)O)O 34H (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4 34I n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N 34J (2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O 34K (2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2 34L (8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC 34M 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole +CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F 34N 4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide +COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4 34O 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole +[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 34P n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide +c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4 34Q (3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34R (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34S (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +C[C@@H]1Cc2cccc(c2NC1)S(=O)=O 34T (3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline +COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N 34U 1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine +C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O 34V beta-l-ribulofuranose +CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F 34W n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide +c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F 34X 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 34Y 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide +c1cc(c(cc1C(=O)O)Cl)Cl 34Z 3,4-dichlorobenzoate +c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN 351 1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea +C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O 352 (5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one +CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N 353 n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O 354 n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid +CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6 355 trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C 356 8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione +CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C 357 5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl 358 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N 359 3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid +C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N 35A n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide +CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3 35B 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid +c1c(cc(c(c1O)O)Cl)Cl 35C 3,5-dichlorobenzene-1,2-diol +CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5 35D 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone +c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO 35E [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol +c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5 35F n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N 35G guanosine-3',5'-monophosphate +CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3 35H n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N 35I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one +c1cc(cnc1)CNC=S 35J n-(pyridin-3-ylmethyl)thioformamide +c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2 35K (2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid +c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O 35M 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4 35N copper(ii) tetrapyrrole +C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4 35O n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C 35P (2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5 35Q n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea +CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl 35S {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O 35T {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O 35V 4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol +c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5 35W 7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4 35X 7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1 35Y 3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine +COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O 35Z 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one +c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F 361 (7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine +c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4 362 2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine +c1c[nH]c2c1nc(cn2)c3c[nH]nc3 363 2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine +c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O 364 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O 365 [(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N 367 3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate +[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3 368 (1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate +Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O 369 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol +c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O 36A (s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F 36C 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O 36D n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline +c1ccc2c(c1)[nH]c(n2)C(F)(F)F 36E 2-(trifluoromethyl)-1h-benzimidazole +Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 36F 5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one +COc1ccccc1NC(=O)N2CCCc3c2cccc3 36G n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide +Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO 36H 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol +c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4 36I 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine +C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O 36J (3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC 36K 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea +Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC 36L (1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione +CCCOC(=O)c1ccc(cc1)O 36M propyl 4-hydroxybenzoate +c1c[nH]c2c1nccn2 36N 5h-pyrrolo[2,3-b]pyrazine +c1[nH]c2c(n1)c(ncn2)NC3CCCCC3 36O n-cyclohexyl-9h-purin-6-amine +c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4 36P 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone +c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2 36Q (2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol +c1cc2c(cc1Cl)nc(o2)N 36R 5-chloro-1,3-benzoxazol-2-amine +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl 36S 2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine +c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl 36U (5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one +c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-] 36V trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione +CN1C2=C(CCC2)C(=N)C3=C1CCC3 36X 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine +c1cc(ccc1c2c[nH]cn2)Br 36Y 4-(4-bromophenyl)-1h-imidazole +Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC 36Z methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate +Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 370 4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O 371 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one +CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N 372 n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide +c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN 373 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one +C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC 374 (2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone +c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 376 n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C 377 memantine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 378 methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O 379 3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid +c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO 37A (1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O 37B (2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +Cc1c(c([nH]n1)c2ccco2)C(=O)OC 37D methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate +C1CCC(CC1)NC[C@H](N)P(=O)(O)O 37E [(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4 37F n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O 37G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid +[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 37H (5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N 37I 4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F 37J 2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6 37K (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC 37L (3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9 37M 2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O 37N 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid +CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC 37O n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide +c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O 37P 5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine +C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4 37Q n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide +c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O 37R 5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide +Cn1cnc2c1C(=O)NC(=O)N2C 37T theobromine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N 37U d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide +c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F 37V {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid +Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C 37W 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid +CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O 37X octyl glucose neopentyl glycol +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 37Y n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +C(CCNCCCCN)CN 37Z sym-homospermidine +COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N 380 (2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide +C1CCC(CC1)CP(=O)(CCCN)O 381 (s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid +c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5 382 (r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O 383 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid +COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC 384 (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6 385 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F 386 n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide +c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 387 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br 388 (2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N 389 l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide +Cc1c(c(c(c(c1CO)C)CO)C)CO 38A (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol +CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1 38B 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one +COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O 38C 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O 38D n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C 38E (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O 38F (2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol +CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O 38G 4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid +[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O 38I {(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O 38J alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N 38K 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid +c1cc(c(c(c1)O)[N+](=O)[O-])O 38L 2-nitrobenzene-1,3-diol +CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl 38M 3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 38N n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N 38O 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4 38P 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N 38Q 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4 38R [4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO 38S 1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 38T 5-methyluridine +CC1=C(Cc2c1cccc2)C(=O)O 38U 3-methyl-1h-indene-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N 38V [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5 38W n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO 38X n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC 38Y 3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7 38Z (3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F 390 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide +Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5 391 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine +c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O 392 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl 393 (5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid +CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 394 r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 395 s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl 396 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide +c1cc(ccc1c2cc3cc(ccc3o2)O)O 397 2-(4-hydroxy-phenyl)benzofuran-5-ol +CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl 398 n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide +Cn1cnc2c1[n+](cnc2N)C 39A 6-amino-3,9-dimethyl-9h-purin-3-ium +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C 39B (s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N 39C (2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN 39D 4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C 39E (r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN 39F trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide +CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C 39G n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5 39H 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide +c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 39I ~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine +CC[C@@H](C(=O)O)Cl 39J (2s)-2-chlorobutanoic acid +CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3 39K n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide +c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O 39L [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 39N beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +Cc1cc2c(cc1N)N(C(=O)N2C)C 39O 5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4 39P 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 39Q n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide +c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N 39R 3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 39S n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CC1(Cc2c(sc(n2)N)C(=O)NC1)C 39U 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO 39V n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide +CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C 39W (2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O 39X 3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine +CC[C@H](C)C/C=C/C(=O)O 39Y (2e,5s)-5-methylhept-2-enoic acid +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O 39Z 5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one +C[C@H]1CCN[C@@H](C1)C(=O)O 3A0 (2s,4s)-4-methylpiperidine-2-carboxylic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O 3A1 n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine +CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O 3A2 1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine +c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O 3A3 2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3A4 (2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O 3A5 (2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl +Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N 3A6 3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide +c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br 3A7 (2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O 3A8 (4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one +c1cc2c(cc1C(=O)O)CCO2 3A9 2,3-dihydro-1-benzofuran-5-carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N 3AA 3-aminopyridine-adenine dinucleotide phosphate +c1cc(cc(c1)N)C(=O)N 3AB 3-aminobenzamide +CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C 3AC (2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N 3AD 3'-deoxyadenosine +c1cc(ccc1C(=O)O)C(F)(F)F 3AE 4-(trifluoromethyl)benzoic acid +CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N 3AF 2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan +CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C 3AG 2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N 3AH [histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N 3AI n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C 3AJ 1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile +c1ccc(cc1)CN2c3ccccc3C(=O)C2=O 3AK 1-benzyl-1h-indole-2,3-dione +[C@H]1(C(=O)NC(=O)N1)NC(=O)N 3AL 1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N 3AM [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N 3AN 3'-deoxy 3'-amino adenosine-5'-diphosphate +CC(=O)c1cccc(c1)N 3AO 1-(3-aminophenyl)ethanone +c1cc(c[nH+]c1)N 3AP 3-aminopyridine +c1cc(ccc1CC#N)O 3AQ (4-hydroxyphenyl)acetonitrile +CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N 3AR n-omega-propyl-l-arginine +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O 3AS (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N 3AT 3'-deoxyadenosine-5'-triphosphate +C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3AU 3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) +Cc1ccc2c(c1)C=CC(=O)O2 3AV 6-methyl-2h-chromen-2-one +Cc1nc(nc(n1)N)N 3AW 6-methyl-1,3,5-triazine-2,4-diamine +c1cn[nH]c1N 3AX 1h-pyrazol-5-amine +c1c(nc(nc1N)N)N 3AY pyrimidine-2,4,6-triamine +c1cc(cc(c1)C(=O)O)CN 3AZ 3-(aminomethyl)benzoic acid +c1cc(ncc1C(F)(F)F)N 3B0 5-(trifluoromethyl)pyridin-2-amine +c1ccc(cc1)[C@H](C#N)N2CCOCC2 3B1 (2r)-morpholin-4-yl(phenyl)ethanenitrile +Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 3B2 (14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate +c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-] 3B3 (2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol +c1ccc(c(c1)C(=O)O)NC2CCCCC2 3B4 2-(cyclohexylamino)benzoic acid +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C 3B5 aik-18/51 +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O 3B6 (2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O 3B7 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N 3B8 2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide +CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N 3B9 n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3 3BA 7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide +C=C(CCO)Br 3BB 3-bromobut-3-en-1-ol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C 3BC tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4 3BD 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 3BE 3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C 3BF thiazotropsin b +Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC 3BG 1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone +c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 3BH (2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 3BI (2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid +c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl 3BJ n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine +c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl 3BK (2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3BL (2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 3BM 2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide +CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C 3BN 3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide +c1ccc2c(c1)c(c[nH]2)CC#N 3BO 1h-indol-3-ylacetonitrile +CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N 3BP 2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide) +c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN 3BQ 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea +CCCBr 3BR 1-bromopropane +CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C 3BS 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide +[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N 3BT 2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O 3BU l-allose +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O 3BV n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO 3BW 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO 3BX n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide +CN1CCC[C@H]1C(=O)O 3BY 1-methyl-l-proline +c1cc(cc(c1)Cl)C(=O)O 3BZ 3-chlorobenzoate +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C 3C0 n-methyl scopolamine +CCN1CNS(=O)(=O)c2c1ccnc2 3C1 4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide +CCN1CNS(=O)(=O)c2c1cccn2 3C2 4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide +CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N 3C3 4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine) +c1cc(c(cc1CC(=O)O)Cl)O 3C4 (3-chloro-4-hydroxyphenyl)acetic acid +CNCc1cccc(c1)c2cccnc2 3C5 n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine +c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N 3C6 n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide +C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O 3C7 (3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N 3C8 6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine +CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3 3C9 1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea +c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O 3CA 2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid +CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O 3CB n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide +CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N 3CC n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl 3CD 3-(chloroacetyl) pyridine adenine dinucleotide +c1cc(c(c(c1)Cl)O)O 3CE 3-chlorobenzene-1,2-diol +c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N 3CF 3-cyano-l-phenylalanine +c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O 3CG (2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid +c1cc(cc(c1)Cl)O 3CH 3-chlorophenol +CCCC1=CC(=O)NC(=S)N1 3CJ 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O 3CK beta-d-tagatofuranosyl alpha-d-glucopyranoside +C(CO)CCl 3CL 3-chloropropanol +C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 3CM 3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCCN 3CN 3-aminopropane +[Co+3] 3CO cobalt (iii) ion +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O 3CP 3-carboxypropyl-coenzyme a +CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)C/C(=N\O)/C(=O)O 3CR (2e)-2-(hydroxyimino)-3-phenylpropanoic acid +CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4 3CS 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O 3CT 3-chloro-l-tyrosine +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O 3CU casuarine +Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl 3CW [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol +C1CCC(CC1)NCC(CS(=O)(=O)O)O 3CX (2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4 3CY (3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-] 3CZ (2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine +C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O 3D0 n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N 3D1 (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N 3D2 n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide +c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N 3D3 2-[(6-amino-7h-purin-8-yl)thio]acetamide +C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O 3D4 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide +c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N 3D5 n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide +c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N 3D6 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide +Cn1cc(cn1)C2=CNC(=O)C(=C2)N 3D7 3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one +c1cc(cnc1)Nc2c3cccn3ncn2 3D8 n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4 3D9 6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N 3DA 3'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 3DB 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4 3DC 6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N 3DD (2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid +CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C 3DE 3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N 3DG 9-(3-deoxy-beta-d-ribofuranosyl)guanine +CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 3DH 5'-s-ethyl-5'-thioadenosine +c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N 3DJ (2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid +Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F 3DK 3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O 3DL 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +COc1cccc(c1O)OC 3DM 2,6-dimethoxyphenol +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C 3DN 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one +C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3DO 3-deoxy-beta-d-glucopyranose +CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] 3DP 3-(n,n-dimethyloctylammonio)propanesulfonate +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 3DQ (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +C1CO[C@@H]([C@H]1O)COP(=O)(O)O 3DR 1',2'-dideoxyribofuranose-5'-phosphate +C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O 3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O 3DT 3-methylthymidine +C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3DU 4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one +c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N 3DV 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O 3DW 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3DX 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O 3DY 3,6-anhydro-beta-l-galactopyranose +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O 3DZ (2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +COc1c(cccc1F)c2csc(n2)N3CCOCC3 3E0 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine +CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O 3E1 n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide +c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O 3E2 (3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O 3E3 (2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl 3E4 n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O 3E5 n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O 3E6 rebaudioside a2 +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5 3E7 1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide +CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N 3E8 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile +C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 3E9 (3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O 3EA 2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid +c1cc(cc(c1)C(=O)O)CCC(=O)O 3EB 3-(2-carboxyethyl)benzoic acid +c1cc(oc1CSCCN)C=O 3EC 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde +C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N 3ED 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N 3EE 4-(2-aminophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3EF n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine +C([C@@H](C(=O)O)N)C(F)(F)F 3EG (2s)-2-amino-4,4,4-trifluorobutanoic acid +CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC 3EH 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate +c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O 3EJ 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid +Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O 3EK trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N 3EL n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide +CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O 3EM n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N 3EN n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C 3EO (4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide +CCP(CC)CC 3EP triethylphosphane +CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O 3EQ [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid +CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O 3ER (2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3ES [(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl) +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O 3ET o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine +c1c(cc(cc1Cl)Cl)CC(=O)O 3EU (3,5-dichlorophenyl)acetic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C 3EV (1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO 3EX 3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO 3EY 8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6 3EZ n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +c1cc(c(c(c1)F)N)C(=O)O 3F0 2-azanyl-3-fluoranyl-benzoic acid +Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3 3F1 n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6 3F2 n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 3F3 4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O 3F4 2-(4-hydroxyphenyl)-3h-quinazolin-4-one +CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N 3F5 5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine +c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7 3F6 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole] +c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O 3F7 1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione) +C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O 3F8 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione) +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 3F9 n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide +c1cc(c(c(c1)F)O)O 3FA 3-fluorobenzene-1,2-diol +c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB (3s)-3-amino-4-phenylbutanoic acid +CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C 3FC (1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate +c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N 3FD 4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N 3FE 3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile +c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O 3FF 2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one +c1c(cc(cc1O)O)[C@@H](C(=O)O)N 3FG (2s)-amino(3,5-dihydroxyphenyl)ethanoic acid +C1=CN(C(=S)C(=C1)C(F)(F)F)O 3FH 1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione +c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2 3FI 3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid +CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O 3FK (2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid +c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2 3FL 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O 3FM 3-o-carbamoyl-alpha-d-mannopyranose +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F 3FN 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C 3FO n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O 3FP (2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O 3FQ (2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5 3FR 3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide +[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl 3FS n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide +c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O 3FT 2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C 3FU n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide +c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl 3FV 4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide +[H]/N=C\c1nccc(n1)CN 3FW 1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine +C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O 3FX (2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C 3FY n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide +[H]/N=C(\c1cccc(c1)C=O)/N 3FZ 3-formylbenzenecarboximidamide +C(#N)[Pt-2](C#N)(C#N)C#N 3G0 tetracyanoplatinate(ii) +c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O 3G1 2-[(s)-benzylsulfinyl]benzoic acid +c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3 3G3 2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione +CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl 3G4 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O 3G6 (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O 3G7 (3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3 3G8 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl 3G9 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N 3GA (3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GB n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N 3GC gamma-glutamylcysteine +CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GD n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide +CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O 3GE (2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid +CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5 3GF 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3 3GG 1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 3GH n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl 3GJ n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide +c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4 3GK n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide +C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O 3GL (2s,4s)-2-amino-4-hydroxy-pentanedioic acid +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN 3GM (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 3GN 2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N 3GO 4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N 3GP guanosine-3'-monophosphate +c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O 3GQ benzene-1,2,3-tricarboxylic acid +C([C@H](C=O)O)O 3GR d-glyceraldehyde +COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2 3GS dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O 3GT (3beta,4beta,5beta,10beta,11e,13e)-maytansine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4 3GU n6-cyclopentyladenosine +c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O 3GV (3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O 3GW 5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate +CN1CCCC2=C1C=C(NC2=O)c3ccccc3 3GX 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one +CC[C@@H](C)c1ccccc1 3GY (2r)-butan-2-ylbenzene +CCCCCCc1ccccc1 3GZ hexylbenzene +CCCc1ccccc1 3H0 propylbenzene +Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O 3H1 3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde +CCCCCc1ccccc1 3H2 pentylbenzene +C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C 3H3 4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione +C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N 3H4 (1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate +Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2 3H5 n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F 3H6 n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +c1c(cc2c(c1F)nc(s2)N)F 3H7 4,6-difluoro-1,3-benzothiazol-2-amine +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl 3H8 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 3H9 (s)-3-hydroxyhexanoyl-coa +c1cc(c(c(c1)O)N)C(=O)O 3HA 3-hydroxyanthranilic acid +c1cc(cc(c1)O)C(=O)O 3HB 3-hydroxybenzoic acid +CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 3HC 3-hydroxybutanoyl-coenzyme a +CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O 3HD 1,5-anhydro-3-o-methyl-d-mannitol +C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C 3HE 4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione +CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O 3HF n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide +C(C(CC(=O)O)O)C(=O)O 3HG 3-hydroxypentanedioic acid +CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O 3HH n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O 3HI (3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 3HJ n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide +COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N 3HK 4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile +C[C@@H](CC(=O)O)O 3HL (3s)-3-hydroxybutanoic acid +Cc1c(cc(cn1)C(=O)O)O 3HM 5-hydroxy-6-methylpyridine-3-carboxylic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F 3HN 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCCCC[C@@H](CC(=O)O)O 3HO (3s)-3-hydroxyoctanoic acid +c1cc(cc(c1)O)CC(=O)O 3HP 3-hydroxyphenylacetate +Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C 3HQ 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +C[C@H](CC(=O)O)O 3HR (3r)-3-hydroxybutanoic acid +c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HS 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4 3HT 5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione +c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O 3HU (s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione +c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O 3HV 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O 3HW 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-] 3HX (4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine +c1cc(cc(c1)O)CO 3HY 3-(hydroxymethyl)phenol +CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HZ 5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O 3I0 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid +CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F 3I3 4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine +C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br 3I6 4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide +c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3 3I7 3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium +c1ccc2c(c1)c(c[nH]2)CCCC(=O)O 3IB 3-indolebutyric acid +c1c[nH]c2c1cc(c(c2)O)O 3ID 3h-indole-5,6-diol +C[C@@H](COC)N 3IE (2~{s})-1-methoxypropan-2-amine +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5 3IF n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C 3IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide +Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3 3IH n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl 3II n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide +C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N 3IK (2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O 3IL 3-(indol-3-yl) lactate +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O 3IN n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide +c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O 3IO 3-(1h-indol-3-yl)-2-oxopropanoic acid +c1ccc(cc1)COc2cccnc2N 3IP 3-(benzyloxy)pyridin-2-amine +c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 3IR (1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide +c1cc2c(cc1Cl)CC(=O)N2 3IS 5-chloranyl-1,3-dihydroindol-2-one +CC(=C)C1=C(C(=O)C=CC=C1)O 3IT 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5 3IU n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3IX s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N 3IZ (2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3J0 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO 3J1 8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one +CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O 3J2 nagilactone c +C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 3J3 (1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol +C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O 3J4 (6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol +Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C 3J5 2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one +CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO 3J6 (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N 3J7 n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine +CN1c2ccccc2N=C3C1=CC=CC3=O 3J8 5-methylphenazin-1(5h)-one +C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3J9 (4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4 3JA 5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N 3JB 3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile +Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3 3JC (7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one +c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4 3JD 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide +c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 3JE triphenyl(phenylethynyl)phosphonium +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JF n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O 3JG (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O 3JH n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O 3JI 3-(4-phenylbutanamido)pyridine-4-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JJ n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JK (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide +c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O 3JL 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O 3JM 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O 3JN 3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O 3JO n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC 3JP (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O 3JQ (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O 3JR (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O 3JS (4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O 3JT (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JU (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JV (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3 3JW baricitinib +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3JX 4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O 3JY [(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid +CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C 3JZ n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N 3K0 n-sulfamoyl-l-glutamic acid +c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O 3K1 5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3K2 4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7 3K3 5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one +C[C@H]1[C@H](N1)C(=O)O 3K4 (2s,3s)-3-methylaziridine-2-carboxylic acid +C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O 3K5 3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose +C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5 3K6 n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide +Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC 3K7 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine +COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC 3K8 (14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 3K9 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 3KA 1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F 3KB 5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O 3KC 3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol +c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O 3KD (1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol +COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O 3KE 4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid +c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O 3KF (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F 3KG 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1cc2c(cc1c3nnc(s3)N)[nH]nn2 3KH 5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O 3KJ n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O 3KK s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C 3KL (5beta,9beta)-3-oxocholan-24-oic acid +[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N 3KM 3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide +c1cncc(c1N)c2nnc(s2)N 3KN 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4 3KO (2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one +C(C(CCl)Cl)Cl 3KP 1,2,3-trichloropropane +COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl 3KQ n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide +COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 3KR 1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C 3KS n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4 3KT (2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4 3KU n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C 3KV retinoic acid +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4 3KW (2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one +c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O 3KX 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one +CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C 3KY 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one +C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C 3KZ (1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C 3L0 (1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N 3L1 (2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4 3L2 (4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione +C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N 3L3 [(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N 3L4 [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid +c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N 3L5 (2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N 3L6 (2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L7 (2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L8 [(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O 3L9 montbretin a +CCCCCCCCCC(=O)CC(=O)O 3LA 3-oxododecanoic acid +CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C 3LB (3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LC (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +c1ccc(cc1)CCC2=CC(=O)C(=NN2)O 3LD 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LE (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +COc1cc(cc(c1OC)OC)CCC(=O)O 3LF 3-(3,4,5-trimethoxyphenyl)propanoic acid +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O 3LG (5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid +CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5 3LH n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC 3LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O 3LJ 2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C 3LK bc-3205 +CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F 3LL (5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O 3LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid +CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 3LN (4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6 3LO (4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3 3LP 1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N 3LQ 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile +C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O 3LR 3,6-dideoxy-l-arabino-hexonic acid +c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O 3LS 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C 3LT (4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid +c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O 3LU 1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium +CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O 3LV 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid +c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br 3LW (3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium +CCCCCCCCCCCCC=S 3LX tridecanethial +CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3 3LZ 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea +Cc1cccc(c1N)C(=O)O 3M0 2-azanyl-3-methyl-benzoic acid +c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F 3M1 (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone +CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N 3M2 (5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one +Cc1c(c(n[nH]1)C)CCCOc2ccccc2F 3M3 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole +CCOc1ccccc1c2nc(no2)c3ccncc3 3M4 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine +CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 3M5 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O 3M6 (2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O 3M7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O 3M8 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F 3M9 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide +C[n+]1cnc(c2c1[nH]cn2)N 3MA 6-amino-3-methylpurine +COc1cccc(c1)C(=O)N 3MB 3-methoxybenzamide +C[N+]1=C(C=CNC1=O)N 3MC 3-methylcytosine +C[C@@H]([C@@H](C(=O)O)N)C(=O)O 3MD 2s,3s-3-methylaspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C 3ME 2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) +CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO 3MF 3-o-methylfructose in linear form +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3MG 3-o-methyl-beta-d-glucopyranose +CC1=CC=CN(C1=S)O 3MH 1-hydroxy-3-methylpyridine-2(1h)-thione +c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl 3MI 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MJ 1-(3,4,5-trihydroxyphenyl)dodecan-1-one +C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 3MK beta-l-altropyranose +CC1=CC(=O)O[C@H]1CC(=O)O 3ML [(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@H](CCSC)C(=O)O 3MM (1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium +C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5 3MN 3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile +CN1CCOC1=O 3MO 3-methyl-1,3-oxazolidin-2-one +Cc1cccnc1 3MP 3-methylpyridine +c1cc(sc1)c2cc(no2)CO 3MQ (5-thiophen-2-ylisoxazol-3-yl)methanol +CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5 3MR (4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide +CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C 3MS n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide +C[n+]1ccsc1 3MT 3-methylthiazolium ion +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3MU 3-methyluridine 5'-(dihydrogen phosphate) +CC[C@@H](C)C[C@@H](CC)C(C)C 3MV (3r,5r)-3-ethyl-2,5-dimethylheptane +c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N 3MW 4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MX 1-(3,4,5-trihydroxyphenyl)decan-1-one +c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O 3MY 3-chloro-d-tyrosine +CCCCCCCCC(=O)c1ccc(c(c1O)O)O 3MZ 1-(2,3,4-trihydroxyphenyl)nonan-1-one +CCCCCC(=O)c1cc(c(c(c1)O)O)O 3N0 1-(3,4,5-trihydroxyphenyl)hexan-1-one +Cc1c2cc(ccc2sc1CC(=O)O)Cl 3N1 (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid +c1cc2c(cc1Cl)c(cs2)CC(=O)O 3N2 (5-chloro-1-benzothiophen-3-yl)acetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O 3N3 (2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O 3N4 naphtho[2,1-b]thiophen-1-ylacetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O 3N5 (2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6 3N6 n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide +Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5 3N7 n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine +c1cc(c(cc1F)O)O 3N8 4-fluorobenzene-1,2-diol +C1=CC(=O)[C@@](C=C1F)(O)OO 3N9 (6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one +c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F 3NA {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid +CCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3NB 1-(3,4,5-trihydroxyphenyl)octan-1-one +c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2 3NC cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide +c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl 3ND (3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide +c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F 3NE 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O 3NF n-acetyl-l-tyrosine +c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6 3NH (3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate +[Ni+3] 3NI nickel (iii) ion +C1=CC(=O)OC(=O)C=C1F 3NJ 4-fluorooxepine-2,7-dione +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC 3NK 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl 3NL 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide +Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O 3NM 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid +C(C[N+](=O)[O-])C(=O)O 3NP 3-nitropropanoic acid +C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 3NQ 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O 3NR 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol +Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO 3NS (3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid +Cc1cccc(c1)[N+](=O)[O-] 3NT 3-nitrotoluene +CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C 3NU 4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine +CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4 3NV 4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine +CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C 3NW 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O 3NX 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide +c1cc2c(cc1[N+](=O)[O-])nn[nH]2 3NY 5-nitro-1h-benzotriazole +COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N 3NZ 3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N 3O0 {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone +CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N 3O1 tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate +COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F 3O2 n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N 3O3 n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid +CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4 3O4 n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide +c1cc(ccc1OCCCCN)S(=O)(=O)N 3O5 4-(4-sulfamoyl-phenoxy)-butylammonium +Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F 3O6 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea +c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O 3O7 1,4,5,8-tetrahydroxyanthracene-9,10-dione +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO 3O8 1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO 3OA 1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione +CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N 3OB 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile +C1C[C@H](CC(=O)C1)C(=O)O 3OC (1r)-3-oxocyclohexanecarboxylic acid +CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 3OD (2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate +Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 3OE 4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide +[OH2][Fe+3][OH2] 3OF hydrated fe (iii) ion, 2 waters coordinated +CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C 3OG (1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate +C(CO)C(=O)O 3OH 3-hydroxy-propanoic acid +B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O 3OJ 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile +c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN 3OK 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione +CCCCC[C@H](C=C)O 3OL (3r)-oct-1-en-3-ol +CCCCC[C@@H](C=C)O 3OM (3s)-1-octen-3-ol +CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C 3ON (3r)-3-hydroxy-8'-apocarotenol +CC(C)(C)NCCCNC(=O)c1cccc(c1)Br 3OO 3-bromo-n-[3-(tert-butylamino)propyl]benzamide +c1cc(cnc1)Oc2cccnc2 3OP 3,3'-oxydipyridine +C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O 3OQ 3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO 3OR 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO 3OS 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide +COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 3OT 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C 3OU 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C 3OV 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OW (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OX (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br 3OY n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl 3OZ [4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid +CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C 3P0 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile +c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N 3P1 8-[(quinolin-2-ylmethyl)amino]adenosine +Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C 3P2 n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O 3P3 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O 3P4 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one +c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O 3P5 (3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F 3P6 (4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O 3P7 (2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid +C[NH3+] 3P8 methylammonium ion +C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O 3P9 (2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C1CCC(C1)CCC(=O)O 3PA 3-cyclopentyl-propionic acid +C[C@H](CC(=O)O)OP(=O)(O)O 3PB (3r)-3-(phosphonooxy)butanoic acid +CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC 3PC (3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N 3PD 2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 3PE 1,2-distearoyl-sn-glycerophosphoethanolamine +CN1Cc2ccccc2NC1=O 3PF 3-methyl-3,4-dihydroquinazolin-2(1h)-one +C([C@H](C(=O)O)O)OP(=O)(O)O 3PG 3-phosphoglyceric acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 3PH 1,2-diacyl-glycerol-3-sn-phosphate +CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC 3PI (1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O 3PJ n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +CCCCCC(=O)O[C@@H](C)COC(=O)CCCC 3PK (2s)-1-(pentanoyloxy)propan-2-yl hexanoate +c1ccc(cc1)CCC=O 3PL 3-phenylpropanal +CC(C)(C)OC[C@H](C(=O)O)N 3PM o-tert-butyl-d-serine +OP(=O)(O)OP(=O)(O)OP(=O)(O)O 3PO triphosphate +C(CP(=O)(O)O)C(=O)O 3PP 3-phosphonopropanoic acid +C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl 3PQ 2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide +Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N 3PS 4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide +CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC 3PT (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4 3PU 5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl 3PW 5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +CC(C)O[C@H]1CCN[C@@H]1C(=O)O 3PX (3s)-3-(propan-2-yloxy)-l-proline +C(C(=O)C(=O)O)O 3PY 3-hydroxypyruvic acid +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5 3PZ (3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N 3Q0 6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine +c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N 3Q1 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine +C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N 3Q2 6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine +c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N 3Q3 (2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide +C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5 3Q4 (3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide +C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q5 tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate +C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q6 tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate +C[As+](C)(C)CC(=O)[O-] 3Q7 (trimethylarsonio)acetate +CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C 3Q8 3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO 3QA (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O 3QB lincomycin +Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C 3QC (4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide +B(CC)(O)O 3QD ethylboronic acid +c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 3QE {[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N 3QF [2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O 3QG [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid +Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N 3QH 6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide +Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C 3QI 5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one +[B-](CCCCCC)(O)(O)O 3QJ hexyl(trihydroxy)borate(1-) +[B-](CCCCCCCC)(O)(O)O 3QK trihydroxy(octyl)borate(1-) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O 3QL n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide +C[C@H](Cc1ccccc1)N=O 3QM [(2r)-2-nitrosopropyl]benzene +Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O 3QN (e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine +c1ccc(cc1)Cc2ccncc2 3QO 4-benzylpyridine +Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O 3QP (e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid +CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C 3QQ n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide +c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O 3QR [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3 3QS 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine +Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5 3QT 6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline +c1cc(ccc1Cc2ccncc2)[N+](=O)[O-] 3QU 4-(4-nitrobenzyl)pyridine +c1cc2c(cc1O)OC(=O)C(=C2)C#N 3QV 7-hydroxy-2-oxo-2h-chromene-3-carbonitrile +CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC 3QW n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F 3QX 4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3 3QY n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 3QZ (9beta)-17-hydroxypregn-4-ene-3,20-dione +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5 3R0 n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine +Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl 3R1 2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide +C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O 3R2 2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O 3R3 [[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc2c(cc1F)sc(c2Cl)C(=O)O 3R4 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid +COc1ccc(c(c1)C=O)OCc2cccnc2 3R5 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde +CSc1ccc(c(c1)C(=O)O)O 3R6 2-hydroxy-5-(methylsulfanyl)benzoic acid +C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O 3R7 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid +C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O 3R9 (3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4 3RA 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2 3RB (2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid +c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4 3RC 3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O 3RD 4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC 3RE 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5 3RF n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +c1ccc(c(c1)C(=O)O)NCC(=O)O 3RG 2-[(carboxymethyl)amino]benzoic acid +c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N 3RH (6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine +C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O 3RI (3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol +c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6 3RJ n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O 3RK (3s,4r,5r,6s)-azepane-3,4,5,6-tetrol +COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O 3RL pterostilbene +c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br 3RM 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine +C1CC(=O)C(=C1)CO 3RN 2-(hydroxymethyl)cyclopent-2-en-1-one +c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O 3RO 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC 3RP 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine +Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC 3RQ 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N 3RR 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C 3RS (2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide +c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6 3RT n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine +c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3 3RU 3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide +c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F 3RV 5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4 3RW [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone +CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C 3RX n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O 3RY 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid +Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N 3RZ 4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide +CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O 3S0 (2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O 3S1 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one +CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O 3S2 [(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid +C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+] 3S3 (1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium +C[C@@](CCO)(CC(=O)O)OP(=O)(O)O 3S4 (3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid +[H]/N=C(/N)\NCCS(=O)(=O)O 3S5 taurocyamine +C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O 3S6 prop-2-en-1-yl beta-d-galactofuranoside +c1ccc(cc1)COC(=O)NCC#N 3S9 benzyl (cyanomethyl)carbamate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO 3SA acarbose derived trisaccharide +Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O 3SB (2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4 3SC 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C 3SD n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F 3SE 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F 3SF 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F 3SG methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate +CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3 3SH ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate +Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C 3SJ 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +Cc1ccccc1C(=O)O 3SK 2-methylbenzoic acid +C([C@@H](C(=O)O)O)S(=O)(=O)O 3SL (2r)-3-sulfolactic acid +CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C 3SM 2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide +CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4 3SN n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O 3SO {5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate +[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 3SP n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide +c1cc(ccc1c2c[nH]cn2)F 3SQ 4-(4-fluorophenyl)-1h-imidazole +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4 3SR 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione +C(CSS)C(=O)O 3SS 3-disulfanylpropanoic acid +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N 3ST 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide +c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S 3SU (2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid +CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C 3SV (3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2 3SW (2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3 3SX n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide +C(C(CO)(CO)CO)O 3SY 2,2-bis(hydroxymethyl)propane-1,3-diol +c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N 3SZ 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline +Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O 3T0 (5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione +COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2 3T1 (3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C 3T2 (2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid +c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS 3T3 [(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N 3T4 {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C 3T5 (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate +c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N 3T7 2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole +CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C 3T8 n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide +COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4 3T9 2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol +Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl 3TA 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N 3TB n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide +C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N 3TC 4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3TD (1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC 3TF (2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate +c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3 3TG 1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one +c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl 3TH 2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O 3TI 1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol +CCN1CNS(=O)(=O)c2c1ccc(c2)F 3TJ 4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C 3TK n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4 3TL benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate +CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C 3TN (2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3 3TO 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine +C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N 3TP (2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine +CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3 3TQ n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide +c1[nH]nc(n1)N 3TR 3-amino-1,2,4-triazole +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl 3TS (2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N 3TT [[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O 3TU (2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide +COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TW 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol +c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TX 4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol +c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 3TY 3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3TZ n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid +c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F 3U1 3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2 3U2 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C 3U3 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide +c1ccc(c(c1)C(=O)O)F 3U4 2-fluorobenzoic acid +c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N 3U5 5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine +c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N 3U6 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine +c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O 3U7 4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O 3U8 4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C 3U9 3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O 3UA (2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C 3UB propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O 3UC [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O 3UD 4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid +Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 3UE [4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone +c1cc(ccc1SCCO)S(=O)(=O)N 3UF 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F 3UG 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O 3UH ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid +Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N 3UJ 5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 3UK 5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3 3UL n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide +C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O 3UM (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid +CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC 3UN (4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid +COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3 3UO 2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide +c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4 3UP 2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide +C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1 3UQ [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) +c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F 3UR (3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O 3US n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6 3UT (5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N 3UW (4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C 3UX (4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3UY (4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C 3UZ (2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide +c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O 3V0 n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide +Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N 3V1 2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide +CC[C@H](N)P(=O)(O)O 3V2 [(1r)-1-aminopropyl]phosphonic acid +C(COCCOCCOCCOCCN)C(=O)O 3V3 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid +CC1=CC[C@H]2[C@@H](C1)C2(C)C 3V4 (+)-3-carene +CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN 3V5 (3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline +C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O 3V6 bactobolin a +c1c(nnn1CCCO)CO 3V7 3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O 3V8 (4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O 3V9 n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C([C@H]([C@@H](CO)O)O)O 3VB d-threitol +CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4 3VC n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4 3VD n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine +Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4 3VE n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N 3VF n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O 3VH (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid +c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O 3VI 1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium} +[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC 3VJ 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide +CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C 3VK n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O 3VL methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN 3VM trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide +C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N 3VN (2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid +c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N 3VO (4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF 3VP (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1ccnc(c1)c2ccc(s2)C(=O)N 3VQ 5-(pyridin-2-yl)thiophene-2-carboxamide +CNCc1ccc(cc1)Cn2cccn2 3VR n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine +c1cc(ccc1C(=O)N)n2ccnc2 3VS 4-(1h-imidazol-1-yl)benzamide +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O 3VT [(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O 3VU {(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3VV s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name) +c1ccc(cc1)C(=O)C2CCNCC2 3VW phenyl(piperidin-4-yl)methanone +CC(=O)Nc1ccc2c(c1)C=CC2=O 3VX n-(1-oxo-1h-inden-5-yl)acetamide +Cn1cc(c2c1cccc2)CC(=O)O 3VY (1-methyl-1h-indol-3-yl)acetic acid +CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O 3VZ {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid +c1cc(ccc1CN)Cn2cc(cn2)Cl 3W1 1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine +CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5 3W2 2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one +C=CCOc1ccc(cc1)S(=O)(=O)N 3W3 4-(allyloxy)benzenesulfonamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5 3W4 n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5 3W5 n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +CCCOc1ccc(cc1)S(=O)(=O)N 3W6 4-propoxybenzenesulfonamide +CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O 3W7 1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one +CCOc1ccc(cc1)S(=O)(=O)N 3W8 4-ethoxybenzenesulfonamide +CCN(CC)c1ccc(cc1)C=O 3W9 4-(diethylamino)benzaldehyde +c1nc(c2c(n1)NC=CC2=O)N 3WA 4-aminopyrido[2,3-d]pyrimidin-5(8h)-one +Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C 3WB (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +Cc1cc(nc2c1cccc2)N3CCNCC3 3WC 4-methyl-2-(piperazin-1-yl) quinoline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WD 2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br 3WE (2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O 3WF ethinyl estradiol +[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 3WG trans-nonachlor +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I 3WH n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide +c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N 3WJ 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O 3WK 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 3WL 5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one +CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O 3WM (1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol +c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N 3WN 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N 3WO 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F 3WP (4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C 3WQ 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone +c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N 3WR 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +CC(C)(C(=O)O)NC 3WS n,2-dimethyl-l-alanine +CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC 3WT (3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid +C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O 3WU (2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC 3WV n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +c1ccc(cc1)C[C@@H](c2nccs2)N 3WW (1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine +C[C@]1(CCCN1)C(=O)O 3WX 2-methyl-l-proline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C 3WY 2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WZ 2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl 3X0 (4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine +CCCCCCCCC/C=C/C(=O)O 3X1 (2e)-dodec-2-enoic acid +c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O 3X2 2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4 3X3 5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole +CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O 3X4 n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3X5 (2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 3X6 (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3X7 3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 3X8 biphenyl-4-yl alpha-d-mannopyranoside +CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C 3X9 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F 3XA 6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F 3XB 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F 3XC 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XD 6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XE (4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F 3XF 6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4 3XG ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate +c1cc(cc(c1)O)C(=O)NCC(=O)O 3XH 3-hydroxyhippuric acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2 3XI n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O 3XJ 4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid +CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N 3XK n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide +c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O 3XL 3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O 3XM 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one +c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XN 4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside +CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XO 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O 3XQ (2s)-2,3-dihydroxypropyl octadecanoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O 3XR (2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium +COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O 3XS 2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N 3XT 4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O 3XU (4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O 3XV n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide +Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F 3XW 4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +C/C=C/1\C(=O)C(=C(O1)C)O 3XX (2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 3XY 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N 3XZ bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate +CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 3Y0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N 3Y1 2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide +[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl 3Y2 2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl 3Y3 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl 3Y4 methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl 3Y5 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O 3Y6 3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid +c1cc(c2c(c1N)non2)N3CCOCC3 3Y7 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine +CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O 3Y8 3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid +c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3Y9 n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YA n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N 3YB n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YC (s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YD (s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YE (s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N 3YF (s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid +c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YG (s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid +[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N 3YH 3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O 3YI (2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate +COc1cc(ccc1O)C[C@@H](C(=O)O)N 3YM 3-methoxy-l-tyrosine +C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O 3YN [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate +Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C 3YO n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide +C1CCC(C1)CCC(=O)NO 3YP 3-cyclopentyl-n-hydroxypropanamide +Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O 3YQ {[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid) +c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F 3YR 2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F 3YS n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YT 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 3YU (2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YV 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O 3YW (2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YX 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4 3YY (5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione +Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6 3YZ [(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone +CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N 3Z0 [(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone +Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC 3Z1 2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6 3Z2 n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide +Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z3 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z4 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z5 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N 3Z6 1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone +COc1cc(ccc1O)Br 3Z7 4-bromo-2-methoxyphenol +c1cc2c(cc1Cl)C(=O)NCC2 3Z8 7-chloro-3,4-dihydroisoquinolin-1(2h)-one +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC 3Z9 methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate +CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O 3ZA (4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid +c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB 5-chloro-1h-indole-2-carboxylic acid +CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC 3ZC 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 3ZD (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide +c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZE {2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZF {2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3 3ZG 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O 3ZH 11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid +CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZJ n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZK 4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide +C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N 3ZL n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine +Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO 3ZM 5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide +CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZN (3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O 3ZO 2'-deoxy-xanthosine-5'-monophosphate +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC 3ZP 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal +C1CC[C@@H]([C@H](C1)O)O 3ZQ (1s,2s)-cyclohexane-1,2-diol +CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC 3ZR diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate +C1C[C@@H]2[C@H](C1)O2 3ZS (1r,5s)-6-oxabicyclo[3.1.0]hexane +COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N 3ZU (2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one +COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC 3ZV 5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 3ZZ protoporphyrin ix containing indium +CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C 400 3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O 401 (2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid +C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 402 dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl 403 (2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide +CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C 404 (2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol +c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F 405 (3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C 406 n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO 407 n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F 408 (3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O 409 n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N 40A n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O 40B [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) +C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N 40C n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F 40D 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine +CC(C)NC(=O)C(=O)O 40E oxo(propan-2-ylamino)acetic acid +C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N 40F (1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N 40G n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 40H (1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O 40J 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside +c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl 40K [(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid +CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 40L 5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one +CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C 40M n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide +c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F 40N 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one +C1CC[C@H]([C@@H](C1)O)O 40O (1r,2r)-cyclohexane-1,2-diol +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O 40P pinnatoxin a +c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 40Q 4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CCCCn1cncn1 40R 1-butyl-1h-1,2,4-triazole +CC(CCO)CCO 40S 3-methylpentane-1,5-diol +CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O 40T n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3 40U n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-] 40V n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N 40W 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C 40X (6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N 40Y 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl 40Z 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide +c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4 410 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4 411 3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide +[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO 412 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine +COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N 413 (s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O 414 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2 415 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea +CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O 416 (2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3 417 (1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine +COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O 418 2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC 419 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide +CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C 41A 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl 41B 1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one +c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-] 41D 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate +CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC 41E 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide +c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4 41F n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O 41G 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid +C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H (betas)-beta-methyl-l-phenylalanine +c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 41I 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C 41J pinnatoxin g +C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O 41K (2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid +c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3 41L n-(1h-benzimidazol-1-yl)-2-phenylacetamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2 41M n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4 41N 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone +c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O 41O 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one +COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC 41P 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide +[H]/N=C(/C[C@@H](C(=O)O)N)\O 41Q 4-imino-l-homoserine +Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO 41R n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F 41S n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC 41T n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide +CNCC[C@@H](c1ccccc1)Oc2ccccc2OC 41U nisoxetine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41V (1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41W (1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol +CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3 41X (2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine +C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC 41Y 2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol +Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C 41Z 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI 420 n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide +[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N 421 6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester +c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N 422 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 423 (1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl 424 (2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 425 2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N 426 6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide +[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO 427 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine +CC(C)c1cn2c(n1)ccc(n2)O 428 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol +CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 429 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester +c1cc2c(c[nH]c2nc1)C#N 42A 1h-pyrrolo[2,3-b]pyridine-3-carbonitrile +C(CN)[C@H](C(=O)O)O 42B 4-amino-2-hydroxybutanoic acid +CN(C)c1c2c(nc[nH]2)ncn1 42C n,n-dimethyl-7h-purin-6-amine +COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 42D 3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N 42E [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC 42F methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O 42G 4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O 42H (4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O 42I n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide +c1cc(c(cc1CCN)Cl)Cl 42J 2-(3,4-dichlorophenyl)ethanamine +c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N 42K 4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC 42L methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO 42M {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium] +c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O 42O (3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO 42P (1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F 42Q 1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O 42R (3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one +c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F 42S n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide +c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO 42T 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F 42U 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline +CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S 42V 5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one +CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S 42W (e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one +CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 42X n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide +CCC(=O)OC[C@@H](C(=O)O)N 42Y o-propanoyl-l-serine +c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O 42Z n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4 430 5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2 431 2-(4-methylphenyl)-4h-chromen-4-one +CCCC(=O)OC[C@@H](C(=O)O)N 432 o-butanoyl-l-serine +CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl 433 2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid +Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O 434 spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione] +Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 435 4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC 436 (2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4 437 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea +CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O 438 2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid +CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 439 6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4 43A (3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6 43B 3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4 43C 4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C 43D 4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile +c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 43E 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea +COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl 43F 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene +c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O 43G 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one +B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O 43H [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid +CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3 43J 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F 43K (5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br 43L (5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine +Cc1cc(ccc1Cl)O 43M 4-chloro-3-methylphenol +CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C 43N 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid +Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC 43O n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide +CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3 43P 4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole +C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O 43Q (3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate +CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC 43R n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br 43S 6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine +C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C 43T 3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide +COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br 43U 6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl 43V n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C#CCCOP(=O)(O)OP(=O)(O)O 43W but-3-yn-1-yl trihydrogen diphosphate +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F 43X [(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 43Y [(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate +c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O 43Z optactamide +CC#CCOc1ccc(cc1)S(=O)(=O)CCCS 440 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol +c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O 442 2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O 443 1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one +c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O 444 n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide +c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 445 n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine +COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4 446 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid +COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5 447 n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide +C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F 448 (2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +C[N+]1(CCC(CC1)C(=O)O)C 449 4-carboxy-1,1-dimethylpiperidin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N 44A 9-beta-d-ribofuranuronosyl-9h-purin-6-amine +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F 44B 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 44C 4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O 44D 7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione +CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC 44E (2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2 44F 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea +CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC 44G (2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 44I 6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44J n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44K n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 44L 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 44M 2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O 44N 2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44O [(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O 44P 5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N 44Q 3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N 44R n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O 44S 2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose +CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 44T 7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N 44U beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide +C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N 44V (6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +CC1=NC2=C(NC1)N=C(NC2=O)N 44W 2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F 44X 6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC 44Z 4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O 450 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone +CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2 451 n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide +CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F 452 2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5 453 (4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4 454 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl 455 (3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC 456 n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO 458 4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO 459 4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 45A 5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine +CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide +c1c(c(cc(c1Cl)Cl)O)O 45C 4,5-dichlorobenzene-1,2-diol +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45D beta,beta-carotene-4,4'-dione +Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC 45E 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone +C#CCO[C@H]1C[C@H](NC1)C(=O)O 45F (4s)-4-(prop-2-yn-1-yloxy)-l-proline +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45H beta,beta-carotene-4,4'-dione +c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N 45I 2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid +B1(c2c(ccs2)C(=NN1C)Cl)O 45J 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol +c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 45K (8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1cccc(c1)C(=O)NN 45L 3-methylbenzohydrazide +c1cc(ccc1C(=O)NNC2=NCCC2)Br 45M 4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide +c1cc2c(cc1CNC3CCCC3)OCO2 45N n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine +C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C 45O 6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl 45P 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide +Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C 45Q n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4 45R 7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium +Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl 45S n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide +c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 45T {[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N 45U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide +CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C 45V 2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide +C#CO[C@H]1C[C@@H](NC1)C(=O)O 45W (4s)-4-(ethynyloxy)-d-proline +c1cc(cnc1)CCN 45X 2-(pyridin-3-yl)ethanamine +c1cc(ccc1CC(=O)NN)F 45Y 2-(4-fluorophenyl)acetohydrazide +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F 45Z 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4 460 2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine +C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 461 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC 462 n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide +CC(=O)Nc1cccc(c1)CN 463 n-[3-(aminomethyl)phenyl]acetamide +c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N 464 3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide +CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O 465 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4 466 n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide +CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 467 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide +Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 468 (3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F 469 2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide +CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C 46A n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine +CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O 46B {4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid +CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4 46C 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O 46D (4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid) +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 46E (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl 46F (2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F 46G 6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline +C1CCN(CC1)C(=O)[C@H]2CCCNC2 46H (3s)-piperidin-3-yl(piperidin-1-yl)methanone +C1CCN(CC1)C(=O)[C@@H]2CCCNC2 46J (3r)-piperidin-3-yl(piperidin-1-yl)methanone +CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O 46K n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide +CN(C)c1ccc(cn1)C(=O)O 46L 6-(dimethylamino)pyridine-3-carboxylic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O 46M (4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid +c1cc2c(cc1[C@H]3CCCN3)OCCO2 46O (2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine +Cc1c(sc(n1)N)c2nccn2C 46P 4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine +CC[C@](C)(CN)N1CCOCC1 46Q (2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine +c1conc1C(=O)NCC(F)(F)F 46R n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide +Cc1cc(ncn1)N2CCCCCC2 46S 1-(6-methylpyrimidin-4-yl)azepane +CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C 46T (1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N 46U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide +CNC(=S)Nc1ccc(cc1Cl)Br 46V 1-(4-bromo-2-chlorophenyl)-3-methylthiourea +[H]/N=C(\N)/N1CCC(CC1)C 46W 4-methylpiperidine-1-carboximidamide +C1CCN(C1)c2c(c(n[nH]2)N)C#N 46X 3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile +Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C 46Y 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile +c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O 46Z (2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate +CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4 470 (3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine +CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C 471 n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4 472 (5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N 474 (2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide +c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 475 n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine +CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 476 3-butyl-1-(2,2-diphosphonoethyl)pyridinium +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O 477 3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol +CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N 478 {3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2 479 4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide +c1cc(ccc1C(=O)CN)Br 47A 2-amino-1-(4-bromophenyl)ethanone +c1cc(c(cc1c2cn3ccnc3nn2)F)F 47B 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine +C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 47C 2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate) +c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O 47D {3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid +c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E (2r)-(3-chlorophenyl)(hydroxy)ethanoic acid +COc1ccc(cc1O)CN 47G 5-(aminomethyl)-2-methoxyphenol +CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C 47H 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline +c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5 47I 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol +Cc1cc(n(n1)C)CN 47J 1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine +CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C 47K 2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide +C1CCC(CC1)C(=O)NC[C@H]2CCCO2 47L n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide +c1cc(oc1CN)C(F)(F)F 47M 1-[5-(trifluoromethyl)furan-2-yl]methanamine +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O 47N neoagarobiose +C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 47P 2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one +c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3 47Q 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one +[H]/N=C(/C)\N(CC)CC 47R (1z)-n,n-diethylethanimidamide +CN(C)c1cccc(c1)C(=O)NN 47S 3-(dimethylamino)benzohydrazide +CC1CCC(CC1)NC(=O)[C@H]2CCCO2 47T (2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2 47U n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +Cc1cc(c(o1)C)C(=O)Nc2ccncc2 47V 2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide +COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3 47W 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium +c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O 47X 3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C 47Y 3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine +CCCCCCCC(=O)OC[C@H](CO)O 480 (2s)-2,3-dihydroxypropyl octanoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C 481 4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide +CCCC(=O)CC(=O)N[C@H]1CCOC1=O 482 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CC1CCC(CC1)NC(=O)Cn2ccnc2 483 2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide +CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O 484 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O 485 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid +CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O 486 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one +C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2 487 6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine +CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O 488 (2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid +c1cc(ccc1[C@@H](CN)O)F 489 (1s)-2-amino-1-(4-fluorophenyl)ethanol +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl 48B 2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide +C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N 48C 5'-(d-alanylamino)-5'-deoxyuridine +C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C 48D (4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O 48E 5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N 48F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 48G n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 48H 2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid +c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl 48I [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +C(C(=O)O)(O)O 48J dihydroxyacetic acid +CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O 48K n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC 48L 4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N 48M 4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile +C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O 48N (2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid +CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N 48O 5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O 48P (1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O 48Q ~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide +C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C 48R (2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide +Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O 48S [(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 48T l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 48U 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide +C([C@@H](C(=O)N)N)SCC(=O)O 48V {[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid +C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 48W 6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide +C(COP(=O)(O)O)C(=O)O 48X 3-(phosphonooxy)propanoic acid +C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O 48Y (1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S 48Z 2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose +Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C 490 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C 491 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1cc(sc1)c2ccc(s2)CN 492 1-(2,2'-bithiophen-5-yl)methanamine +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 493 {4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 494 (2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1ccc2c(c1)C(=O)NN=C2Cl 495 4-chlorophthalazin-1(2h)-one +c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO 496 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 497 6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide +c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 498 p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N 499 5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N 49A 4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4 49B 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione +c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O 49C (1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one +C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49D 6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49E 6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COCC[C@@H]1CCCN1 49F (2s)-2-(2-methoxyethyl)pyrrolidine +Cn1ccc(n1)CNCCc2ccccc2 49G n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC 49H 4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2 49J 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline +CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F 49K n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine +CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4 49L n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine +CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 49M (1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol +c1cc(c(nc1)N2CCNCC2)C(F)(F)F 49N 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine +c1cc(c(nc1)N2CCNCC2)C#N 49O 2-(piperazin-1-yl)pyridine-3-carbonitrile +c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F 49P 1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol +c1ccc(cc1)COc2ccc(cc2)CCCO 49Q 3-[4-(benzyloxy)phenyl]propan-1-ol +CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1 49R tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O 49S 2-acetamido-2-deoxy-beta-d-mannopyranuronic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O 49T 2-acetamido-2-deoxy-alpha-d-fucopyranose +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N 49U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide +CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O 49V 2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O 49W n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O 49X (1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol +CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O 49Y (4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide +Cc1ccc(s1)CNCCc2ccccc2F 49Z 2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine +c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O 4A0 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol +CCCS(=O)(=O)Nc1ccccc1C(=O)O 4A1 2-[(propylsulfonyl)amino]benzoic acid +COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O 4A2 (2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid +c1cc(c(cc1C(=O)O)O)N 4A3 4-amino-3-hydroxybenzoic acid +c1c(c(nn1CC(=O)O)C2CC2)Br 4A5 (4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid +CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C 4A6 [(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium +CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC 4A7 2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide +CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC 4A8 n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 4A9 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide +c1cc(c(c(c1C(=O)O)N)O)Cl 4AA 4-chloro-3-hydroxyanthranilic acid +C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O 4AB 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4AC n(4)-acetylcytidine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N 4AD 4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4 4AE n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N 4AF 4-acetyl-l-phenylalanine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC 4AG (2r)-3-hydroxypropane-1,2-diyl dihexadecanoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 4AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 4AJ 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N 4AK n~6~-sulfo-l-lysine +c1cc(ccc1CN)CO 4AL [4-(aminomethyl)phenyl]methanol +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N 4AM 4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N 4AN 6-amino-benzo[de]isoquinoline-1,3-dione +CCOc1c2cccc(c2nc(n1)N=C(N)N)C 4AO 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine +c1c[nH+]ccc1N 4AP 4-aminopyridine +Cn1cccc1CNCCc2c[nH]c3c2cccc3 4AQ 2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine +Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C 4AR amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium +CNCc1nccn1C 4AS n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine +CC(=O)CCCC(=O)O 4AT 5-oxohexanoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3 4AU 1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone +CNCc1cc(ccc1Cl)[N+](=O)[O-] 4AV 1-(2-chloro-5-nitrophenyl)-n-methylmethanamine +c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1 4AW 4-azatryptophan +C1[C@H](C(=O)NO1)N 4AX (r)-4-amino-isoxazolidin-3-one +c1cc(ccc1CBr)C(=O)O 4AY 4-(bromomethyl)benzoic acid +c1cc(ccc1CN)C(=O)O 4AZ 4-(aminomethyl)benzoic acid +C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO 4B0 3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-] 4B1 n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3 4B2 (4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C 4B3 4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 4B5 n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5 4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O 4B8 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +c1cc(ccc1CNCCC(=O)O)C(=O)O 4BA 4-[(2-carboxy-ethylamino)-methyl]-benzoic acid +CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 4BB 4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4 4BC 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 4BD 5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br 4BE 4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF 4-bromo-l-phenylalanine +c1ccc(cc1)COc2ccc(cc2)NC(=O)CN 4BG n-[4-(benzyloxy)phenyl]glycinamide +c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3 4BH 4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol +Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C 4BI (2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid +CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC 4BJ n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide +Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C 4BK n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide +Cc1ccc2cc([nH]c2c1)C(=O)O 4BL 6-methyl-1h-indole-2-carboxylic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 4BM n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 4BN 3-oxo-4-pregnene-20-carboxyl-coenzyme a +c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N 4BO (3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid +c1cc(ccc1CBr)c2ccc(cc2)CBr 4BP 4,4'-bis(bromomethyl)biphenyl +c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N 4BQ (2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid +Cc1ccc(cc1)OCC[P@H](=O)[O-] 4BR 2-(4-methylphenoxy)ethylphosphinate +c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN 4BS 4-amino-n-[4-(benzyloxy)phenyl]butanamide +[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N 4BT 2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O 4BU (2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid +Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C 4BV n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4BW 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +c1ccc2c(c1)[nH]c(n2)CCC(=O)O 4BX 3-(1h-benzimidazol-2-yl)propanoic acid +Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY 5-methyl-1h-indole-2-carboxylic acid +[H]/N=C(\c1ccc(cc1)CO)/N 4BZ 4-(hydroxymethyl)benzamidine +c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4C0 3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C 4C1 n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide +Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F 4C2 n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C 4C4 myxopyronin b +COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N 4C5 (2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid +Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C 4C6 3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide +C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C 4C7 (3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate +c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br 4C8 2,4-dibromophenyl 2,4,6-tribromophenyl ether +CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 4C9 (2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O 4CA 4-hydroxybenzyl coenzyme a +B(c1ccc(cc1)C(=O)O)(O)O 4CB 4-carboxyphenylboronic acid +[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N 4CC n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine +Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl 4CD 4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 4CE (2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(ccc1C[C@@H](C(=O)O)N)C#N 4CF 4-cyano-l-phenylalanine +C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O 4CG (1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid +c1cc(ccc1O)Cl 4CH 4-chlorophenol +c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O 4CK 4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid +c1cc(c(cc1Cl)O)O 4CL 4-chlorobenzene-1,2-diol +C[P@](=O)(c1ccc(cc1)C(=N)N)O 4CM (4-carbamimidoylphenyl)-methyl-phosphinic acid +Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C 4CN 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O 4CO 4-hydroxyphenacyl coenzyme a +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl 4CP 2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O 4CQ 6-o-alpha-d-glucosyl-beta-cyclodextrin +CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C 4CR (1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium +CC1=N[C@@H](CCN1)C(=O)O 4CS (4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl 4CT (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol +CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C 4CU (~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4 4CV 3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2 4CW n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C 4CX n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C(CSC#N)[C@@H](C(=O)O)N 4CY nitrilo-l-methionine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4 4CZ 2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide +c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 4D0 n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 4D1 n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3 4D2 5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +COC(=O)/C=C(\C#N)/c1ccc(cc1)F 4D3 methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate +[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O 4D4 (2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4D5 methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate +B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O 4D6 vaborbactam +Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4D7 3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C 4D8 (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid +c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4D9 3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N 4DB (2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid +CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3 4DC (2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide +C[C@H](CCc1ccccc1)N 4DD (2r)-4-phenylbutan-2-amine +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C 4DE 1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl 4DF 5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N 4DG 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4DH 3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine +[H]/N=C(\N)/SCCCCN(C)C 4DI 4-(dimethylamino)butyl imidothiocarbamate +Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DJ 3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol +Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DK 3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol +c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DL 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol +Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O 4DM (4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide +c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DN 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol +CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DO n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N 4DP 3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DQ n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S 4DS 4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F 4DT 3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol +c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4DU 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine +Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C 4DV 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O 4DW n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid +C[C@H]1CCCC[C@@H]1O 4DX (1s,2s)-2-methylcyclohexanol +CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O 4DY (6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide +c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl 4DZ 2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile +CCCCCCCCCCCCCCCCOP(=O)(CCCC)F 4E0 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane +c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O 4E1 10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl 4E2 10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br 4E3 10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +CCC(CC)(CO)C(=O)Nc1ccc(nc1)C 4E4 2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide +c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O 4E5 (3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline +CCCCCCCCC/C=C/C=C/CC=C 4E6 (4e,6e)-hexadeca-1,4,6-triene +CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O 4E7 (3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline +c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3 4E8 3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 4E9 2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N 4EA (1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine +Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F 4EB 4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide +Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3 4ED 5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole +CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC 4EE 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4 4EF 3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +COC(=O)/C=C(\C#N)/c1ccccc1 4EG methyl (2z)-3-cyano-3-phenylprop-2-enoate +c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N 4EH (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N 4EJ 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile +c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F 4EK 6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine +Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC 4EL 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O 4EM (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate +c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4EN [(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EO 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EP 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O 4EQ 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc(c(c1)c2nc(nc(n2)N)N)Cl 4ER 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-] 4ES 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine +c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O 4ET (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(ccc1C(=O)c2ccc(cc2O)O)O 4EU (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O 4EV (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl 4EW 2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine +B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O 4EX (3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol +C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S 4EY 1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid +CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO 4EZ {[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol +CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N 4F0 (3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O 4F1 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4 4F2 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea +C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O 4F3 [2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5 4F4 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide +CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3 4F5 n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide +c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N 4F6 4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile +c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3 4F7 2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline +c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O 4F8 2-phenyl-1h-imidazole-4,5-dicarboxylic acid +c1cnccc1c2cnc[nH]2 4F9 4-(1h-imidazol-5-yl)pyridine +c1cc(ccc1CCO)F 4FA 4-fluorophenethyl alcohol +C1[C@@H](CN[C@@H]1C(=O)O)F 4FB (4s)-4-fluoro-l-proline +c1cc(ccc1c2ccc(cc2)F)C(=O)O 4FC 4'-fluoro-1,1'-biphenyl-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cn2)C(=O)N 4FD 6-(benzylamino)pyridine-3-carboxamide +COc1ccc(cc1O)\C=C\C(=O)O 4FE (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid +Cc1c(nc([nH]1)c2ccccc2)C(=O)O 4FF 5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid +c1cc(ncc1C(=O)N)N 4FG 6-aminopyridine-3-carboxamide +C1=CN(C(=S)C=C1C(F)(F)F)O 4FH 1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O 4FI (2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid +Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7 4FJ 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine] +c1cnccc1c2[nH]ccn2 4FL 4-(1h-imidazol-2-yl)pyridine +c1cc(ccc1CNC(=O)c2c(non2)N)Cl 4FM 4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4 4FN n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide +C(CN)[C@H](C(=O)O)N 4FO (2r)-2,4-diaminobutanoic acid +c1cc(ccc1CC2CCNCC2)F 4FP 4-(4-fluorobenzyl)piperidine +CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O 4FQ 4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C 4FR 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide +c1ccc2c(c1)cc(cn2)N 4FS quinolin-3-amine +c1ccc2cnncc2c1 4FT phthalazine +C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O 4FU (1r,2s)-cyclohexane-1,2-dicarboxylic acid +C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O 4FV 4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide +c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N 4FW 4-fluorotryptophane +COc1ccccc1CNc2ccc(cn2)C(=O)N 4FX 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O 4FY 4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid +[H]/N=C(\c1ccc(cc1)C=O)/N 4FZ 4-formylbenzenecarboximidamide +CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N 4G0 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 4G1 n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O 4G2 2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid +c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N 4G3 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide +CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N 4G4 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O 4G5 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CC(C)(CN)N 4G6 2-methylpropane-1,2-diamine +c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid +c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O 4G8 4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl 4G9 2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide +CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O 4GA 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium +CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2 4GB n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O 4GC beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 4GD n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O 4GE 5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid +CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6 4GF n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 4GG 2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 4GH n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-] 4GI 3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate +c1cnccc1SSC[C@@H](C(=O)O)N 4GJ 3-(pyridin-4-yldisulfanyl)-l-alanine +Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C 4GK 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline +C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O 4GL alpha-d-gulopyranose +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O 4GM 6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NCC2CCCC2 4GN 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NC2CCCC2 4GO 6-(cyclopentylamino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O 4GP n-(carboxycarbonyl)-beta-d-glucopyranosylamine +c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O 4GQ n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4GR methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +C1CNCCC1NC(=O)c2c(non2)N 4GS 4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide +c1c(c(nc(n1)NC2CCCC2)N)C(=O)N 4GT 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide +c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F 4GU n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 4GW 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate) +c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N 4GX (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone +C1CCC(CC1)CNC(=O)c2c(non2)N 4GY 4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide +Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N 4GZ 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide +c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F 4H0 (3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid +c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN 4H1 6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide +CC1=CC(=S)NC=C1 4H2 4-methylpyridine-2(1h)-thione +c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO 4H3 6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide +c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N 4H4 4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide +COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl 4H5 (1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3 4H6 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide +CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N 4H7 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide +CC(C)(C)CNc1ncc(c(n1)N)C(=O)N 4H8 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide +COc1ccc(cc1)C(=O)n2c(ncn2)N 4H9 (5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone +C(CCO)C[NH3+] 4HA 4-hydroxybutan-1-aminium +c1cc(ccc1c2ccc(cc2)O)O 4HB 4,4'-dihydroxybiphenyl +c1ccc2c(c1)C(=CC(=O)O2)O 4HC 4-hydroxy-2h-chromen-2-one +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O 4HD (4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C 4HE (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron +c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 4HF n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid +c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I 4HG n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O 4HH o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3 4HI (3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O 4HJ o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N 4HK 5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile +c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O 4HL (6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate +COc1cc(ccc1O)OO 4HM 4-hydroperoxy-2-methoxy-phenol +CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N 4HN 2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile +CC1=CC(=O)N(C=C1)O 4HO 1-hydroxy-4-methylpyridin-2(1h)-one +c1cc(ccc1CC(=O)O)O 4HP 4-hydroxyphenylacetate +CN1CCN(CC1)C(=O)c2c(non2)N 4HQ (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone +c1ccc(c(c1)CO)Br 4HR (2-bromophenyl)methanol +C1=CC(=O)NC=C1Br 4HS 5-bromopyridin-2(1h)-one +c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N 4HT 4-hydroxytryptophan +c1cc(nc(c1)Br)CO 4HU (6-bromopyridin-2-yl)methanol +COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO 4HV n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide +c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N 4HW n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-] 4HX (4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide +c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O 4HY [4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid +C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 4HZ n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide +[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O 4I4 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N 4I5 (6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide +COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 4I7 (4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +COC(=O)c1ccc2c(c1)OC(=O)N2 4I8 methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate +Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3 4I9 5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate +CC(C)c1ccc(cc1)C(=O)O 4IA 4-propan-2-ylbenzoic acid +CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I 4IB tetraiodobisphenola +c1c(nc[nH]1)/C=C/CC(=O)O 4IC (3e)-4-(1h-imidazol-4-yl)but-3-enoic acid +Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F 4ID 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC 4IG (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one +CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 4IH ~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-] 4II (2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid +c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl 4IJ 5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N 4IK (2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid +c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N 4IN 4-amino-l-tryptophan +c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-] 4IO 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4IP inositol-(1,3,4,5)-tetrakisphosphate +Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N 4IQ 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide +C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C 4IR {n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC 4IT n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 4IU 2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid +c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O 4IX (2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J0 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N 4J2 (2r)-2-amino-3-(naphthalen-2-yl)propanoic acid +NOS(=O)(=O)N 4J3 amino(aminooxy)sulfane dioxide +c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F 4J4 s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine +C(CNC(=[NH2+])N)[C@@H](C(=O)O)N 4J5 amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O 4J6 (4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid +Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC 4J7 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine +Cc1ccc(cc1)S(=O)(=O)N 4J8 4-methylbenzenesulfonamide +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J9 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O 4JA (2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate +CCc1ccc(cc1)S(=O)(=O)N 4JC 4-ethylbenzenesulfonamide +CCCc1ccc(cc1)S(=O)(=O)N 4JE 4-propylbenzenesulfonamide +CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC 4JF (1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C 4JG 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone +c1cc(cc(c1)Br)CN 4JH 1-(3-bromophenyl)methanamine +c1cc(c(cc1Cl)N)N 4JJ 4-chlorobenzene-1,2-diamine +[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N 4JK (s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid +c1cc(ccc1CO)Cl 4JL (4-chlorophenyl)methanol +CSc1ccc(cc1)N 4JM 4-(methylsulfanyl)aniline +c1cc(ncc1N)Br 4JN 6-bromopyridin-3-amine +Cc1c(ccc(n1)N)Br 4JO 5-bromo-6-methylpyridin-2-amine +c1cc2c(cc[nH]2)nc1 4JP 1h-pyrrolo[3,2-b]pyridine +c1cc2c(cc1N)C=CC(=O)O2 4JQ 6-amino-2h-chromen-2-one +Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5 4JR 2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one +CCC(=O)Nc1cc2ccccc2nc1 4JS n-(quinolin-3-yl)propanamide +c1ccc2c(c1)N=C(CS2)N 4JT 2h-1,4-benzothiazin-3-amine +CC1CCC(CC1)N 4JU trans-4-methylcyclohexanamine +Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N 4JV 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine +CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2 4JW (2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide +Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C 4JX n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N 4JY 4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide +Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C 4JZ 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea +c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N 4K0 4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N 4K1 2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide +c1cc2cccnc2c(c1)OC(=O)N3CCCCC3 4K2 quinolin-8-yl piperidine-1-carboxylate +c1ccc(cc1)NC(=O)CCS 4K3 n-phenyl-3-sulfanylpropanamide +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C 4K4 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4 4K5 (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone +Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4 4K6 n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl 4K7 (5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide +c1ccc2cnc(cc2c1)C(=O)O 4K8 isoquinoline-3-carboxylic acid +c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N 4K9 4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide +Cc1c2c(c[nH]n2)[nH]n1 4KA 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole +c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N 4KB 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide +c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KC 4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide +COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KD 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O 4KE (3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid +CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O 4KF (2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid +c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N 4KG 2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one +c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F 4KH 2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide +[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC 4KJ (5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3 4KK 2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +c1cc2c(cc(nc2c(c1)O)C(=O)O)O 4KL xanthuric acid +CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F 4KM tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate +c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F 4KN 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O 4KO (6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7 4KP 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine +CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O 4KQ 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O 4KR 7-aminocephalosporanic acid +COc1ccc(cc1)O 4KS 4-methoxyphenol +COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N 4KT 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile +c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS 4KU 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid} +CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl 4KV 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O 4KX 1,5 dienoyl-coa +CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C 4KY (4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline +B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O 4KZ n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O 4L0 (4r)-1-acetyl-4-(hexyloxy)-l-proline +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6 4L1 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole +CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C 4L2 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C 4L3 tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate +C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O 4L4 hygromycin a +CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N 4L5 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide +Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N 4L6 4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide +c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O 4L7 7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one +CC(C)C[C@H](CN)C(=O)O 4L8 (2r)-2-(aminomethyl)-4-methylpentanoic acid +C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F 4L9 n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C 4LA (r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl 4LB trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid +Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6 4LC 3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile +Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC 4LD 1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole +[C@@H](C(F)(F)F)(OC(F)F)Cl 4LE (2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane +c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O 4LF n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC 4LG methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl 4LH n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC 4LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide +C(CN)CBr 4LJ 1.7.6 3-bromanylpropan-1-amine +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O 4LK 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one +CCCCNc1ccc2cccc(c2n1)O 4LL 2-(butylamino)quinolin-8-ol +C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 4LM (2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid +Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O 4LN n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C 4LO n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C 4LP 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one +CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4 4LQ 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide +CC(=CCOP(=O)(O)O)C 4LR dimethylallyl monophosphate +Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 4LS 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol +C[C@H](C(=O)O)F 4LT (2r)-2-fluoropropanoic acid +Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C 4LU 1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol +C/C(=C\c1ccccc1)/C(=O)O 4LV (2e)-2-methyl-3-phenylprop-2-enoic acid +c1ccc(cc1)/C=C(/C(=O)O)\F 4LW (2z)-2-fluoro-3-phenylprop-2-enoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 4LX n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F 4LY [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile +c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N 4LZ o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine +Cc1ccc(c(c1)N)C(=O)O 4M0 2-azanyl-4-methyl-benzoic acid +Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5 4M1 2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC 4M2 3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine +[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N 4M3 n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine +COc1cc(ccc1O)C=C 4M4 2-methoxy-4-vinylphenol +CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 4M5 (4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5 4M6 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O 4M7 (1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide +CO[P@](=O)(CC[C@@H](C(=O)O)N)O 4M8 (2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid +[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O 4M9 (4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide +Cc1ccc(cc1)C(=O)O 4MA 4-methylbenzoic acid +CS(=O)(=O)Nc1ccc(cc1)C(=O)O 4MB 4-[(methylsulfonyl)amino]benzoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 4MC (z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e +C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N 4MD n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide +COC(=O)c1cccc2c1cc[nH]2 4ME methyl 1h-indole-4-carboxylate +Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4MF 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole +Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C 4MG 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N 4MH 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide +CSc1ccc(cc1)C(=O)O 4MI 4-methylsulfanylbenzoic acid +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C 4MJ 1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol +Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl 4MK 5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine +C[C@@]1(C=CC(=O)O1)CC(=O)O 4ML [(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@@H](CCSC)C(=O)O 4MM n,n,n-trimethylmethionine +Cc1ccc(cc1)N 4MN 4-methylaniline +[Mo+4] 4MO molybdenum(iv) ion +COc1ccc(cc1)C(=O)N2CCCC2=O 4MP 1-(4-methoxybenzoyl)-2-pyrrolidinone +CN1CCCN(CC1)c2c3ccccc3ncn2 4MQ 4-(4-methyl-1,4-diazepan-1-yl)quinazoline +c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5 4MR 5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O 4MS n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide +c1cc(ccc1CCNC=S)O 4MT n-[2-(4-hydroxyphenyl)ethyl]thioformamide +CC1=CC(=O)Oc2c1ccc(c2)O 4MU 7-hydroxy-4-methyl-2h-chromen-2-one +CC(C)CCC(=O)O 4MV 4-methyl valeric acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C 4MW 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide +CCCCCc1cc(cc(c1C(=O)O)O)O 4MX 2,4-bis(oxidanyl)-6-pentyl-benzoic acid +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O 4MY myo inositol 3,4,5,6 tetrakisphosphate +Cc1c[nH]cn1 4MZ 4-methylimidazole +Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC 4N1 4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 4N2 beta-l-idopyranose +CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O 4N3 n-octanoyl-d-valine +CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl 4N5 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone +c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO 4N6 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol +Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O 4N7 1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline +c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O 4N8 1-[(furan-2-ylmethyl)carbamothioyl]-l-proline +c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N 4N9 1-[(4-cyanobenzyl)carbamothioyl]-l-proline +c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O 4NA 1-chloro-6-(4-hydroxyphenyl)-2-naphthol +c1cc(ccc1C(=O)O)[N+](=O)[O-] 4NB 4-nitrobenzoic acid +c1cc(c(cc1[N+](=O)[O-])O)O 4NC 4-nitrocatechol +c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N 4ND n4-(n,n-diphenylcarbamoyl)-aminoguanidine +CCCC[P+](CCCC)(CCCC)CCCC 4NE tetrabutylphosphonium +c1cc(ccc1NC=S)[N+](=O)[O-] 4NF n-(4-nitrophenyl)thioformamide +C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O 4NG [(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C 4NH 4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +C(CC(=O)O)C[N+](=O)[O-] 4NI 4-nitrobutanoic acid +CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl 4NJ (5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one +C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O 4NK (1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium +c1cc(ccc1N)O 4NL 4-aminophenol +c1cc(ccc1CS)[N+](=O)O 4NM 4-nitrophenyl methanethiol +CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O 4NN n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O 4NO 4-nitro-2-phosphonobenzoic acid +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O 4NP 4-nitrophenyl phosphate +c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F 4NR 5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O 4NS 4-nitrophenyl sulfate +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O 4NT [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O 4NU {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl 4NX (5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one +c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F 4NY 4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid +c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N 4NZ 4-nitrobenzenesulfonamide +Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O 4O0 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid +C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O1 n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O 4O2 3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O 4O3 (11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione +CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O4 6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide +CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 4O5 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl 4O6 (e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC 4O7 (5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F 4O8 {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F 4O9 {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C 4OA (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid +c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO 4OB n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 4OC 4n,o2'-methylcytidine-5'-monophosphate +c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO 4OD n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F 4OE 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole +CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F 4OF n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N 4OG 3-(1-benzothiophen-3-yl)-l-alanine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O 4OH (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol +c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3 4OI (1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide +Cc1ccccc1OP(=O)(O)O 4OJ (2-methylphenyl) dihydrogen phosphate +c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl 4OK 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide +C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O 4OL n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] +CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F 4ON 5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N 4OO 4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine +C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C 4OP (2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl 4OQ 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl 4OR (s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide +COc1ccc(cc1)S(=O)(=O)O 4OS 4-methoxybenzenesulfonic acid +Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5 4OT [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone +C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N 4OU 4-(acryloylamino)-l-phenylalanine +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 4OV (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C 4OW n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +C(CCC(=O)CCC(=O)O)CCC(=O)O 4OX 4-oxodecanedioic acid +COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O 4OZ methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate +CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 4P0 1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone +CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl 4P1 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide +C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8 4P2 (3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide +CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F 4P3 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide +c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5 4P4 8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide +c1coc2c1[nH]c(c2)C(=O)O 4P5 4h-furo[3,2-b]pyrrole-5-carboxylic acid +c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3 4P6 (3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3 4P7 (3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl 4P8 5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde +c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl 4P9 4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol +CCCOC(=O)C 4PA propyl acetate +C(CC(=O)NO)CP(=O)([O-])[O-] 4PB n-hydroxy-4-phosphono-butanamide +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PC 3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PD 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol +C[C@H](COC[C@@H](C)OCCOC)N 4PF (2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine +[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2 4PG 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine +Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH 4-methyl-l-phenylalanine +Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3 4PI n-(4-methylbenzoyl)-4-benzylpiperidine +CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O 4PJ 2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2 4PK n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide +Cc1c(c2c(cn1)COC2=O)O 4PL 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one +C1CCN(CC1)C2CCNCC2 4PN 4-piperidino-piperidine +CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-] 4PO alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone +c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N 4PP (2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid +c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N 4PQ 5-hydroxy-l-tryptophan +CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C 4PR (3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate +CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4PS 4'-diphospho pantetheine +CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4PT (2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate +[Pu+4] 4PU plutonium ion +CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F 4PV 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine +C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O 4PW levoglucosan +CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O 4PX 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione +c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4 4PY (2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1c[nH]nc1 4PZ 4-methyl-1h-pyrazole +CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC 4Q0 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione +CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C 4Q1 fumitremorgen b +C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3 4Q2 (2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide +CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F 4Q3 n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide +Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl 4Q4 {3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 4Q5 n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q7 2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q9 2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QA 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one +CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O 4QB 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid +CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O 4QC 3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide +C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QD 8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one +Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4 4QE 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine +C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5 4QF (5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one +c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N 4QG 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC 4QH 3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl 4QI (4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one +CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7 4QJ (11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one +c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN 4QK 6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine +CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I 4QL 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 4QM (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl 4QO 2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide +CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4QP (2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N 4QQ 4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC 4QS [(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1(c(c(c(c(c1Br)OO)Br)OO)Br)N 4QT 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide +c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O 4QV 5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one +Cn1cncc1/C=C/2\CCN=C2c3cccnc3 4QW 3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine +CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl 4QX 3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 4QY 2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose +C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl 4QZ 3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide +Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N 4R0 3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O 4R1 2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose +[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C 4R2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F 4R5 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 4R7 methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O 4R8 (6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O 4RA [(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O 4RB 4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid +c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F 4RC n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F 4RD n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC 4RF tripalmitoylglycerol +c1ccc(cc1)OCc2cccc(c2)C(=O)O 4RG 3-(phenoxymethyl)benzoic acid +C[C@H](COCCOC)N 4RH (2~{r})-1-(2-methoxyethoxy)propan-2-amine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C 4RJ 6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C 4RK (2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2 4RL n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC 4RM (2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one +C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2 4RN (2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F 4RO n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl 4RP n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F 4RQ n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4RR (4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 4RS trehalose mono-butyrate +CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F 4RT (1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1ccc2c(c1)c(c(nn2)C(=O)N)N 4RU 4-aminocinnoline-3-carboxamide +Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N 4RV 4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide +C1CC[C@@H]2[C@H](C1)CSC(=N2)N 4RW (4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N 4RX n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N 4RY n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N 4RZ n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N 4S0 dendron d2-1 +CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3 4S1 (1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO 4S2 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5 4S3 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one +c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br 4S4 n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine +CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O 4S7 1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4S8 n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO 4S9 tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO 4SA tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O 4SB (2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O 4SC 2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate) +C(C#N)C(CC#N)O 4SD 3-hydroxypentanedinitrile +CC(C)[C@@H](/C=C(/C)\C(=O)O)NC 4SF (2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O 4SG 4-thio-alpha-d-glucopyranose +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3 4SH n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(c1ccccc1)[C@@H](C(=O)O)NC 4SJ n,beta,beta-trimethyl-l-phenylalanine +CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC 4SL n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide +[S-][Mo](=S)(=S)[S-] 4SM tetrathiomolybdate +CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 4SN (6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol +c1cc(ccc1C(=O)O)S(=O)(=O)N 4SO 4-sulfamoylbenzoic acid +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N 4SP o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine +C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O 4SQ tetraglycine phosphinate +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4SR (4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl 4SS (s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC 4ST 1,2,3,4-tetrahydrogen-staurosporine +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4SU 4-thiouridine-5'-monophosphate +c1cncc(c1C(=O)O)N 4SV 3-aminopyridine-4-carboxylic acid +C[C@@H](CO[C@H](C)COCCOC)N 4SW (2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +c1cc(c(cc1S(=O)(=O)O)O)O 4SX 3,4-dihydroxybenzenesulfonic acid +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4SY tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4SZ tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C 4T0 n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide +c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N 4T1 (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4T2 tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate +c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N 4T3 2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine +CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C 4T4 (s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N 4T5 n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2 4T6 n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +c1ccc2cc(ccc2c1)[C@H](CO)O 4T7 (1r)-1-(naphthalen-2-yl)ethane-1,2-diol +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O 4T8 5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine +COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2 4T9 n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O 4TA p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate +c1cc(sc1)CCCC(=O)O 4TB 4-(2-thienyl)butyric acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N 4TC p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate +C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O 4TD (2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol +C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O 4TE (1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O 4TF (1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O 4TG dtdp-4,6-dideoxy-4-formamido-glucose +CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5 4TH (s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +[Ti+4] 4TI titanium ion +CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C 4TJ 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TK n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4TL n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO 4TM n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide +CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 4TN (2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid +c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6 4TO (4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide +C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O 4TP 4-hydroxy-l-threonine-5-monophosphate +C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C 4TQ (3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3 4TR 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3 4TT 4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole +c1cc2c(cc1Cl)CCN2C(=O)N 4TU 5-chloranyl-2,3-dihydroindole-1-carboxamide +Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl 4TV 8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F 4TW n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide +Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C 4TX 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid +CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TY tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N 4TZ 4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O 4U0 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O 4U1 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O 4U2 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O 4U3 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4U5 n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4U6 n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide +[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O 4U7 [(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) +CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C 4U8 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid +c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F 4U9 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine +Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4 4UA 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide +c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4 4UB 3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C 4UC n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide +C1C=NO[C@@H]1[C@@H](C(=O)O)N 4UD (2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C 4UE ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O 4UF 4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid +C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N 4UG (2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile +C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O 4UH (1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid +c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl 4UJ 2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide +CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F 4UK n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide +Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F 4UL 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide +CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N 4UM ethyl 5-carbamoyl-1h-indole-2-carboxylate +Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C 4UN {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O 4UO 2,3-dihydroxanthosine +[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N 4UP 6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide +CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N 4UQ 6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4UR 3'2'-cgamp +CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl 4US 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide +CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC 4UT 4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N 4UU 5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N 4UV 5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine +COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 4UW 5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N 4UX (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC 4UY (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O 4UZ 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose +C1C=C(C=CN=C1)C[C@@H](C(=O)O)N 4V0 3-(3h-azepin-5-yl)-l-alanine +Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2 4V1 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one +c1cc(cc(c1)O)c2nnc(o2)S 4V2 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol +c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O 4V3 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose +Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC 4V4 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O 4V5 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose +C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C 4V6 (3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F 4V7 n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide +c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3 4V8 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2 4V9 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N 4VA (2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4 4VB 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl 4VC 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F 4VD n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F 4VE n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide +c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VF 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VG 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO 4VH n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide +[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O 4VI (2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O 4VJ 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO 4VK n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F 4VL 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO 4VM 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl 4VN 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC 4VO (2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol +C=Cc1ccc(cc1)O 4VP 4-ethenylphenol +Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 4VQ 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid +CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1 4VR 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one +CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1 4VS 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2 4VT 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(cnc1)[C@H]2CC3CCN2CC3 4VU (2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane +C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2 4VV (z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine) +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N 4VW 5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +CN(CCO)c1ccc(cn1)Br 4VY 2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol +CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2 4VZ (5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F 4W0 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one +c1ccc2c(c1)c(cs2)CO 4W1 1-benzothiophen-3-ylmethanol +CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1 4W4 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCOC(=O)c1ccc2c(c1)c[nH]n2 4W5 ethyl 2h-indazole-5-carboxylate +CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 4W6 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C 4W8 (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C 4W9 (4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione +c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N 4WA 4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide +C1CCC(CC1)C[C@@H](C(=O)O)O 4WC (s)-cyclohexyl lactic acid +COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2 4WD (5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F 4WE 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O 4WF 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O 4WG 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C 4WH 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 4WI (1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cn(n1)C2CC[NH2+]CC2)Br 4WJ 4-(4-bromo-1h-pyrazol-1-yl)piperidinium +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+] 4WK (2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium +c1csc2c1[nH]c(c2)C(=O)O 4WL 4h-thieno[3,2-b]pyrole-5-carboxylic acid +CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O 4WM (4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol +Cn1ccnc1CCN2CCc3cccc(c3C2)N 4WN 2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +COC(=O)CCN1CCc2cccc(c2C1)N 4WO methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate +COC(=O)CCN1CCc2ccccc2C1 4WP methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate +CC(C)(C)CCCC[C@@H](C(=O)O)N 4WQ (2s)-2-amino-7,7-dimethyloctanoic acid +C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F 4WR 1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O 4WS n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide +CC1(CNCc2c1cccc2)C 4WT 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline +c1cc2c(c(c1)N)CNCC2 4WU 1,2,3,4-tetrahydroisoquinolin-8-amine +C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WV bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+) +C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+] 4WW bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+) +C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WX bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+) +C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 4WY {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 4WZ {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) +c1ccc2c(c1)CCN(C2)CCCN 4X1 3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O 4X2 (2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid +CCN1CCc2c(cccc2N)C1 4X3 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine +COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5 4X4 n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide +CN1CCc2c(cccc2N)C1 4X6 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N 4X7 (2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid +Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N 4X8 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 4X9 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4 4XA 3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC 4XB 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate +CNC(=O)CCN1CCc2cccc(c2C1)N 4XC 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide +COCCN1CCc2cccc(c2C1)N 4XD 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine +C1CCN(CC1)C(=O)CN2CC[NH2+]CC2 4XE 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium +C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+] 4XF (2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium +CN(C)CCCN1CCc2cccc(c2C1)N 4XG 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(cccn2)c(c1)Br 4XH 5-bromoquinoline +COCC(COC)N1CCc2cccc(c2C1)N 4XJ 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3 4XK 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine +c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3 4XL 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3 4XM 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7 4XN 6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one +Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 4XO 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile +Cn1cc(nn1)CCCc2cn(nn2)C 4XP 4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole) +CCCn1cc(nn1)CCCCCc2cn(nn2)CCC 4XQ 4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole) +C1C=C(O[C@@H]([C@@H]1N)O)CN 4XR (2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol +Cc1c(nc(nc1Cl)C2CC2)Cl 4XS 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine +Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C 4XU 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)N 4XV 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine +C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C 4XW (5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid +CC1=C(C(=O)CO1)O 4XX 4-hydroxy-5-methylfuran-3(2h)-one +CCCNc1c(c(nc(n1)C2CC2)Cl)C 4XY 6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine +COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3 4Y0 3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide +Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C 4Y1 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C 4Y2 6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine +C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 4Y3 [[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O 4Y4 1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F 4Y5 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid +C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O 4Y6 (1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F 4Y7 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid +CC(=O)CO 4Y8 1-hydroxypropan-2-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O 4YA hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O 4YB 5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C 4YC (2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2 4YD (2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3 4YE (2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl 4YF (2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C 4YG (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC 4YH (2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile +COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3 4YI 2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide +COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 4YK 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C 4YL (2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N 4YM ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C 4YN (2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +c1cc2c(cc1Br)NCC(=O)N2 4YO 6-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C 4YP 2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione +C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 4YQ 4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F 4YR n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide +c1ccc2c(c1)C=CNC2=O 4YS isoquinolin-1(2h)-one +CCc1nnc2n1c3cc(ccc3c(c2)C)OC 4YT 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline +Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC 4YU methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5 4YV 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C 4YW 2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC 4YX n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 4YY n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1cc(ccc1SCCC(=O)O)Cl 4YZ 3-[(4-chlorophenyl)sulfanyl]propanoic acid +c1cc(sc1)C(=O)OC=CC(=O)C(=O)O 4Z0 (3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid +c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O 4Z1 [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O 4Z2 2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide +c1ccc(c(c1)NC(=O)C=NO)Br 4Z3 (2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide +c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 2,4-dichloro-5-fluorobenzoic acid +Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N 4Z8 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O 4Z9 (2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid +c1csc2c1cc([nH]2)C(=O)O 4ZA 6h-thieno[2,3-b]pyrrole-5-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N 4ZB (3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide +c1cc(c(cc1Cl)C#N)O 4ZC 5-chloro-2-hydroxybenzonitrile +c1ccc(cc1)SC=CC(=O)O 4ZD (2e)-3-(phenylsulfanyl)prop-2-enoic acid +Cc1cc(ccc1O)N 4ZE 4-amino-2-methylphenol +c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2 4ZF (5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C 4ZG n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C 4ZH 2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC 4ZJ n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N 4ZK 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine +CCOC(=O)CNC(=O)NCc1ccccc1 4ZL ethyl n-(benzylcarbamoyl)glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 4ZM ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate +CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4ZN (2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C 4ZO ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2 4ZP ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O 4ZQ (1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O 4ZR (1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F 4ZS n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide +CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N 4ZT ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate +c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU 6-bromanyl-1h-indole-2-carboxylic acid +c1cc2c(cc[nH]2)cc1C(=O)O 4ZV 1h-indole-5-carboxylic acid +c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2 4ZW 2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide +c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6 4ZX 6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide +c1cc(ccc1CN)N 4ZY 4-(aminomethyl)aniline +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N 4ZZ ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate +CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C 501 n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine +CCOC(=O)CNC(=O)NCc1ccnc(c1)N 502 ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate +COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4 503 [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 504 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide +Cc1cccc(c1OC[C@@H](C)N)C 505 (2r)-1-(2,6-dimethylphenoxy)propan-2-amine +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N 506 (2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4 507 1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone +c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6 508 (1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone +c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br 509 4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O 50A 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose +COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7 50B 13-diphenylalkyl berberine +Cc1c(n[nH]c1N)c2ccc(cc2)F 50C 3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine +c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5 50D 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile +CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3 50E n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine +c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5 50F 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile +c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N 50G dendron-d1 +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N 50H 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N 50I 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide +CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC 50J 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide +[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N 50K 2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide +C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N 50L [(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-] 50M (2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 50N (1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol +CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C 50O n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3 50P 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl 50Q 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol +CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I 50R 4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N 50T adenosine-5'-phosphovanadate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N 50U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6 50V n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6 50W n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F 50X (2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide +CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5 50Y n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +C=CCNc1nc(c(s1)C(=O)c2ccccn2)N 50Z [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone +COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N 510 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate +COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O 511 [1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid +c1c(c(c(s1)C(=O)O)OCC(=O)O)Br 512 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +c1cc2c(cc1Br)c(cs2)CN 513 1-(5-bromo-1-benzothiophen-3-yl)methanamine +CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3 514 (3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O 515 3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC 516 n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N 517 1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4 518 n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C 519 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea +c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 51A n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide +CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 51B 2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one +CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO 51C (6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol +c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N 51D 3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile +c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N 51E 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile +Cc1nccn1CCO 51F 2-(2-methyl-1h-imidazol-1-yl)ethanol +C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC 51G gentamicin c1 +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N 51H adenylyl-2"-tobramycin +CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N 51J 2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3 51K 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole +Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C 51M (3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O 51N 5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose +Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C 51O au(caffein-2-ylidene)2 +C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC 51P 5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O 51Q (2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid +c1cc(cc(c1)N)C(F)(F)F 51R 3-(trifluoromethyl)aniline +Cc1ccc(c(c1)C)N 51S 2,4-dimethylaniline +c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O 51T 2,3,6-trifluoro-l-tyrosine +Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 51U d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide +Cc1ccccc1N 51V 2-methylaniline +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I 51W n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O 51X (1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid +Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O 51Y 2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N 520 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide +c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl 521 5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C 522 peroxidized heme +CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 523 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) +CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 524 (2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide +CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 525 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 526 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br 527 5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 528 (2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4 529 (2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide +C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O 52A (2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid +c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl 52B (2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1ccc(c(c1)c2[nH]nnn2)Cl 52C 5-(2-chlorophenyl)-1h-tetrazole +c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3 52D pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F 52E 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol +c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O 52F 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N 52G zorbamycin +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 52H 5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine +CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one +CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 52K n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O 52L dahp oxime +c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 52M 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC 52N 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate +CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 52O pivalyl-coenzyme a +c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl 52P 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one +c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 52Q (1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 52R n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine +CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 52T (4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC 52U (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C 52V 5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52W (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC 52X methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate +COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 52Y methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52Z (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4 530 6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CC(=O)[C@H]1CCCN(C1)Cc2ccccc2 531 1-[(3s)-1-benzylpiperidin-3-yl]ethanone +CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4 532 (5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one +C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C 533 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N 534 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine +CCOC(=O)c1c(n2ccnc2s1)C 535 ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate +c1ccc(cc1)CN2CCCC(=C2)C(=O)N 536 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O 537 2,6-dihydroanthra/1,9-cd/pyrazol-6-one +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C 538 4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl 539 6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine +CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC 53A ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate +c1cc(nc(c1)O)C(=O)O 53B 6-hydroxypyridine-2-carboxylic acid +CC(=O)c1cccc(c1)O 53C 1-(3-hydroxyphenyl)ethanone +CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C 53D 1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide +c1cc(c2c(c1)OCCO2)C(=O)O 53E 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N 53F (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate +CN(C)C(=O)c1ccc2c(c1)nccn2 53G n,n-dimethylquinoxaline-6-carboxamide +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 53H 5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine +CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4 53K 2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol +C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O 53L (2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-] 53M (2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one +c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O 53N 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid +c1ccc(cc1)c2cccc(c2)n3ccnc3 53O 1-(biphenyl-3-yl)-1h-imidazole +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 53P (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile +CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3 53Q clomifene +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3 53R 5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C 53S 5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53T 5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N 53U d-phenylalanyl-n-benzyl-l-prolinamide +Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53V 5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC 53W 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole +CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O 53X 3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +c1ccc-2c(c1)NC(=O)c3n2ccc3 53Y pyrrolo[1,2-a]quinoxalin-4(5h)-one +c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N 53Z 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C 540 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline +Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C 541 (2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 542 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] 543 calcium ion, 6 waters plus ethanol coordinated +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C 544 2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N 545 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester +Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C 546 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine +c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5 547 2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C 548 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline +CC(C)n1cnc2c1ccc(c2)C(=O)O 549 1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F 54B 1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea +CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O 54C (betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan +COC(=O)c1cccs1 54D methyl thiophene-2-carboxylate +c1ccc(cc1)c2ccc(cc2Cl)CN 54E 1-(2-chlorobiphenyl-4-yl)methanamine +c1ccnc(c1)Oc2cccc(c2)N 54F 3-(pyridin-2-yloxy)aniline +Cc1ccc(c(c1)C(=O)O)O 54G 2-hydroxy-5-methylbenzoic acid +CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 54H 5'-o-(d-valylsulfamoyl)adenosine +C(/C=N/O)C(=O)O 54I (3e)-3-(hydroxyimino)propanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F 54J n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +Cc1cnc(c2c1nc[nH]2)N 54K 7-methyl-3h-imidazo[4,5-c]pyridin-4-amine +C#CCCC(=O)O 54L pent-4-ynoic acid +COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4 54M (5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine +Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F 54N 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one +C(CO)CS(=O)(=O)O 54O 3-hydroxypropane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCO 54P 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-] 54Q (2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione +CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 54R n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O 54S n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide +c1cc2c(cc1Cl)sc(n2)N 54T 6-chloro-1,3-benzothiazol-2-amine +CC(=O)N1CCN(CC1)c2ccc(cc2)O 54U 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone +CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC 54V methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate +CC(=O)NCCc1ccccc1 54W n-(2-phenylethyl)acetamide +c1cc(sc1)c2csc3c2C(=O)N=CN3 54X 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one +CNC(=O)c1cnn(c1Cl)C 54Y 5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide +c1cc(c(cc1CN)Cl)OC(F)(F)F 54Z 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine +Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC 550 methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate +COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate +c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F 552 (6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one +c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N 553 (7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O 555 4-(4-hydroxyphenyl)-1-naphthaldehyde oxime +c1cc(sc1)c2cnc3n2CCC3 556 3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO 557 n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide +Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 558 5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 559 5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 55A n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide +COc1cc(cc(c1O)OC)/C=C/CO 55B 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol +C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2 55C 2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid +CCCC(=O)Nc1c(ccs1)C(=O)N 55D 2-(butanoylamino)thiophene-3-carboxamide +Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 55E 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one +Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F 55F n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide +c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5 55G 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4 55H 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F 55I 4-(trifluoromethyl)-l-phenylalanine +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F 55J 1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O 55K 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 55L (r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate +C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3 55M (4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one +CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC 55N (2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid +C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O 55P (2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid +CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C 55Q (2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid +c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2 55R 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid +CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 55S 6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine +CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O 55T 5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine +CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN 55U n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine +Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC 55V 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine +Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC 55W 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 55X s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) +C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C 55Y (5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one +CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N 55Z 5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O 561 6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N 562 n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C 563 n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 564 6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid +C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 565 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one +c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 566 (3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N 567 2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO 568 n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F 569 (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one +c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N 56A 3-(8-phenyloctyl)-l-histidine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O 56B 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N 56C n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine +C[C@H](c1ccccc1)C(=O)C(=O)O 56D (3r)-2-oxo-3-phenylbutanoic acid +CCOC(=O)CNC(=O)c1cc(sc1)C 56E ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate +CNS(=O)(=O)Cc1ccc(cc1)Cl 56F 1-(4-chlorophenyl)-n-methylmethanesulfonamide +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C 56G n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 56H n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide +c1ccc2c(c1)-c3ccccc3C2CCC=O 56J 3-(9h-fluoren-9-yl)propanal +Cc1nc(cs1)c2cccc(c2)N 56K 3-(2-methyl-1,3-thiazol-4-yl)aniline +CC(C)C1C(=O)NC(=S)NC1=O 56L 5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O 56M 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 56N phenyl beta-d-galactopyranoside +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 56O n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO 56P n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO 56Q n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO 56R n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCCCCCCCCCCC(=O)OC(C)C 56S propan-2-yl dodecanoate +c1cc(oc1)CCN 56T 2-(furan-2-yl)ethanamine +c1ccc2c(c1)[nH]c(n2)C(F)F 56U 2-(difluoromethyl)-1h-benzimidazole +c1ccc2c(c1)nc3n2[C@@H](CS3)O 56V (3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol +CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O 56W (2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid +CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C 56Y 4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 56Z 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5 570 2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O 571 5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO 572 4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide +C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O 574 [(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite +c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br 575 (4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione +c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O 576 (3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid +CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 577 4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O 578 (5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C 579 4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide +CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C 57C 4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O 57D chrysin +CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C 57E 1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide +CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C 57F 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO 57G n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide +C=CCP(=O)(O)O 57H prop-2-en-1-ylphosphonic acid +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C 57J 6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C 57K tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C 57L 2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate +CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O 57M muraymycin d2 +c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O 57N (2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +Cc1c(nc(c(c1O)C)O)CC(=O)O 57O (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid +c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 57P 3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid +c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O 57Q 3-(2-phenyl-1h-indol-1-yl)propanoic acid +CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 57R (4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O 57S 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol +c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I 57T (2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO 57U 1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3 57V 1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea +CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4 57W 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea +CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O 57X 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O 57Y 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid +Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C 57Z 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea +Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F 580 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole +CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O 581 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O 582 5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one +c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O 583 4,4'-(1h-pyrazole-3,4-diyl)diphenol +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 584 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C 585 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC 586 n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide +CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C 587 c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C 588 2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid +c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6 589 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC 58A 5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N 58B l-alanyl-d-alpha-glutamine +c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5 58C cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC 58D (3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4 58E (5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I 58F p-iodo hoechst +c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N 58G 6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide +COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O 58H methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate +C(CC[NH3+])C[NH3+] 58I 4-azaniumylbutylazanium +CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O 58J 4-methoxydehydrocyclopeptin +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 58K cyclopeptin +c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2 58L demethylated cyclopeptin +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C 58N (4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 58O 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N 58P 1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile +Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N 58Q 6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N 58R 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide +CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2 58T 13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one +C[C@@H](CC(=O)C(=O)O)C(=O)CC=O 58U (4s)-4-methyl-2,5,7-trioxoheptanoic acid +c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6 58V (2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl 58W n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide +CC(=CCC/C(=C/C(=O)O)/C)C 58X (2e)-3,7-dimethylocta-2,6-dienoic acid +C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O 58Y (2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O 58Z 1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 590 9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 591 (5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one +Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5 592 n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide +CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4 593 (5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 594 9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC 595 n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O 596 (2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O 598 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid +c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl 599 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 59A n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine +c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5 59B morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC 59C [(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 59D (7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC 59E methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O 59F (2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O 59G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C 59H (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O 59J (2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F 59K 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O 59L 2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F 59M 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N 59N 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F 59Q 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N 59R 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC 59S (2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC 59T 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C 59U 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F 59V 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N 59W 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C 59X 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine +c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O 59Y 8-(naphthalen-1-yl)quinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O 59Z {2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C 5A0 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C 5A1 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A2 3,5-di-methylenebisphosphonate inositol tetrakisphosphate +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A3 methylenebisphosphonate inositol pentakisphosphate +C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN 5A6 (2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O 5A7 {(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5A8 5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5A9 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O 5AA n6-dimethyl-3'-amino-adenosine-5'-monophosphate +[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O 5AB [(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate +c1[nH]c(c(n1)C(=O)N)N 5AC 5-amino-1h-imidazole-4-carboxamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5AD 5'-deoxyadenosine +C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N 5AE 4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one +CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N 5AF 2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan +C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5AG 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC 5AH methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5AJ 5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AK 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 5AL 5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O 5AM benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate +c1c(cc(cc1F)F)N 5AN 3,5-difluoroaniline +c1cc(cc(c1)N)c2cnco2 5AO 3-(1,3-oxazol-5-yl)aniline +COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl 5AP 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine +c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AQ 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine +C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N 5AR (2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O 5AS 5'-o-(n-ethyl-sulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O 5AT 5'-amino-5'-deoxythymidine +c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 5AU di-glutathione-phenylarsine +Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl 5AV 5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine +C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C 5AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO 5AX 2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol +Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5 5AY n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine +C1=NC(=O)NC(=N1)N 5AZ 6-amino-1,3,5-triazin-2(1h)-one +Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O 5B0 {2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid +c1cc2c(cc1Br)c(n[nH]2)N 5B1 5-bromo-1h-indazol-3-amine +c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B2 5-phenyl-1h-indazol-3-amine +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B3 4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide +Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F 5B4 n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide +CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O 5B5 (3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O 5B6 [5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC 5B7 (3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O 5B8 (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate +c1ccc2c(c1)cccc2COc3ccccc3C(=O)O 5B9 2-(naphthalen-1-ylmethoxy)benzoic acid +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C 5BA 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one +CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br 5BB 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one +CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5 5BC (5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid +CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C 5BD n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] +Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C 5BE 3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide +c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2 5BF (11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5 5BG {3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N 5BH (2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide +c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O 5BJ 4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O 5BK 1h,1'h-4,4'-biindole-2-carboxylic acid +c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5 5BL 8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid +c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N 5BM (2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile +c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN 5BN 5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C 5BO 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4 5BP n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O 5BQ 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione +CCCCCBr 5BR 1-bromopentane +CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C 5BS 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O 5BT 5-bromo-2'-deoxycytidine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br 5BU 5-bromo-uridine-5'-monophosphate +CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN 5BV (2r,3r)-3-(glycyloxy)-2-methylnonanoic acid +c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O 5BW (2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC 5BX (5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O 5BY {2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O 5BZ [(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid +c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O 5C0 (2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one +c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl 5C1 5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide +CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1 5C2 1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN 5C3 4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5C4 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol +COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N 5C5 (2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5 5C6 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C 5C7 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3 5C8 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C 5C9 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N 5CA 5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine +c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl 5CB n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5CC 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N 5CD 5'-chloro-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O 5CE (1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F 5CF 5-fluorocytidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N 5CG 5'-chloro-5'-deoxy-guanosine +Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C 5CH 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N 5CI 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F 5CJ (1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O 5CK (1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl 5CL 1,2,3,4,5-pentachlorobenzene +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5CM 5-methyl-2'-deoxy-cytidine-5'-monophosphate +CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO 5CN 5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C 5CO 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4 5CP [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O 5CQ (1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol +CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 5CR n-acetyl-l-phenylalanine +C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 5CS 2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid +C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N 5CT hypusine +C1=C(C(=O)NC(=O)N1)C(=O)O 5CU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid +CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5 5CV 1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N 5CW 5-chloro-l-tryptophan +CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N 5CX 2'-(propan-2-yl)biphenyl-4-sulfonamide +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C 5CY 1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium +[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N 5CZ 2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide +c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4 5D0 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine +Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C 5D1 n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide +Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl 5D2 n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide +CC(=O)NCCCCCCNC(=O)C 5D4 n-(6-acetamidohexyl)acetamide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 5D5 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid +C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C 5D6 orthoformimycin +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N 5D7 prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate +[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N 5D8 ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC 5D9 ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC 5DA 1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine +CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5DB 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5DD [(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C 5DE 1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O 5DF 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F 5DG 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol +c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N 5DH 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile +C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O 5DI alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride +c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O 5DJ 4,4'-(2-phenylethene-1,1-diyl)diphenol +[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 5DK (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine +c1ncn(n1)C[C@@H](CP(=O)(O)O)O 5DL [(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N 5DM n-[(2s)-2-amino-3-phenylpropyl]-d-methionine +c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid +C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O 5DP 5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide +c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F 5DQ n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3 5DR 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N 5DS (r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F 5DT 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F 5DU 2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N 5DV methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate +C#Cc1ccc(cc1)C[C@@H](C(=O)O)N 5DW 4-ethynyl-l-phenylalanine +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br 5DX 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5DY 5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F 5DZ 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid +c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5E0 5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O 5E1 2-(3-bromophenyl)quinoline-4-carboxylic acid +c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O 5E2 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br 5E4 2-[(3-bromophenyl)amino]benzoic acid +Cc1c2cc(ncc2n[nH]1)c3cccnc3 5E5 3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine +c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5 5E6 (1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O 5E7 n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2 5E8 ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N 5E9 ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4 5EA 5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3 5EB ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C 5EC ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3 5ED ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl 5EE 5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 5EF 3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl 5EG 2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide +CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 5EH (3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5EJ 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one +c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl 5EK n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5 5EL 4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N 5EM n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O 5EN 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide +CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C 5EO 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N 5EP n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide +c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O 5EQ (2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O 5ER (2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid +c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O 5ES 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol +c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O 5ET 4,4'-thiene-2,5-diylbis(3-chlorophenol) +Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O 5EU 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) +Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC 5EV n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine +Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC 5EW 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3 5EX ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O 5EY (3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2 5EZ 7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N 5F1 5'-fluoro-2',5'-dideoxyadenosine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C 5F2 ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3 5F3 3,5-di(pyridin-4-yl)benzoic acid +CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl 5F4 4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide +c1cc(cc(c1)C(=O)O)c2nccs2 5F5 3-(1,3-thiazol-2-yl)benzoic acid +c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl 5F6 (2,6-dichlorophenyl)(quinolin-6-yl)methanone +CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl 5F7 n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine +c1cc(cc(c1)C(=O)O)c2cccnc2 5F8 3-(pyridin-3-yl)benzoic acid +CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 5F9 arachinoyl-coa +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N 5FA adenosine-5'-pentaphosphate +COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3 5FB 4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O 5FC 5-formyl-2'-deoxy-cytidine-5'-monophosphate +[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O 5FD 5'-fluoro-5'-deoxyadenosine +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FE 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F 5FF (5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2 5FH (5s)-5-benzylimidazolidine-2,4-dione +CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F 5FI 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole +CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F 5FJ n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F 5FK (5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(cc(c1)C(=O)O)c2ccncc2 5FL 3-(pyridin-4-yl)benzoic acid +CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O 5FN (3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C 5FO 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FP 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid +CCCCCNC(=O)[C@H](C)N 5FQ n-pentyl-l-alaninamide +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C 5FR 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide +Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O 5FS 3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione +Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O 5FT phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F 5FU 5-fluoro-uridine-5'-monophosphate +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O 5FV phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(C)NC[C@@H](c1ccc(c(c1)O)O)O 5FW isoprenaline +C([C@H]([C@@H](C(=O)CO)O)O)F 5FX 5-deoxy-5-fluoro-d-xylulose +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O 5FY 4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 5G0 (z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +c1ccc(c(c1)C(=O)NN)Cl 5G1 2-chlorobenzohydrazide +c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O 5G2 3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl 5G3 4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O 5G4 4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol +c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl 5G5 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol +c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G6 4,4'-(phenylcarbonimidoyl)diphenol +Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G7 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol +c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2 5G8 1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole +c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5G9 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1 5GA 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5GB 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +CC(C)S(=O)(=O)c1c(n[nH]c1SC)N 5GC 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine +Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one +C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O 5GF 5-fluoro-beta-d-glucopyranose +C(CCNCCCCN)C[C@@H](C(=O)O)N 5GG deoxyhypusine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2 5GH ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate +Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O 5GI ~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O 5GJ [(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone +c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4 5GK 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C 5GL 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one +CC[C@H](C)C[C@@](C)(C(=O)O)N 5GM (4s)-2,4-dimethyl-l-norleucine +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C 5GN n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O 5GO 4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 5GP guanosine-5'-monophosphate +CC1=CN2CC(CN=C2C=C1)O 5GQ 7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C 5GR n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O 5GS 2'-c-methyluridine 5'-(trihydrogen diphosphate) +c1cc2c(cc1C(F)(F)F)NC(=O)CN2 5GT 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one +c1cc2c(cc1Br)NC(=O)CN2 5GU 7-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O 5GV (2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 5GW 5-phenyluridine 5'-(trihydrogen diphosphate) +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5 5GX 7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O 5GY 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-] 5GZ 4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br 5H 5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC 5H0 (2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate +c1cc2c(cc[nH]2)cc1O 5H1 1h-indol-5-ol +COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl 5H2 methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F 5H3 n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F 5H4 n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C 5H5 (2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide +c1cc(sc1c2cc(no2)C(=O)O)Cl 5H6 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid +C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 5H7 n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 5H8 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 5H9 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O 5HA n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HB n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O 5HC 2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +C(CCO)CC(CCCCO)CCO 5HD 5-(2-hydroxyethyl)nonane-1,9-diol +CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O 5HE (5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid +COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HF n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N 5HG {[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid +c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3 5HH n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3 5HI (3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3 5HJ (2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one +CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-] 5HK 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide +CCc1cccc2c1NC(=O)C(=C2)CNC3CC3 5HL 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO 5HM 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +c1c(cncc1O)C(=O)O 5HN 5-hydroxypyridine-3-carboxylic acid +c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2 5HO n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide +C1CC(=O)N[C@@H]1C(=O)O 5HP pyroglutamic acid +c1cc(oc1)c2ccc(cn2)CN 5HQ 1-[6-(furan-2-yl)pyridin-3-yl]methanamine +c1ccc(cc1)CNC[C@H](N)P(=O)(O)O 5HR [(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid +Cc1conc1CCc2cccnc2 5HS 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O 5HT 5-hydroxy-thymidine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O 5HU 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F 5HV n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide +C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5HW 4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol +c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5HX 4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol +C([C@@H]1C(=O)NC(=O)N1)C(=O)O 5HY [(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid +c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O 5HZ 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl 5I1 n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide +c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N 5I4 ~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O 5I5 7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO 5IB ~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I 5IC 5-iodo-cytidine-5'-monophosphate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I 5ID (2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC 5IG 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 5II methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O 5IJ (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate +CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO 5IK 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one +c1c(nc(s1)N2CCCCC2)N 5IM 2-(1-piperidinyl)-1,3-thiazol-4-amine +c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3 5IN n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C 5IO 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5IP (1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc2cnccc2c(c1)N 5IQ isoquinolin-5-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4 5IR [n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii) +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC 5IS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IT 5-iodo-thymidine-5'-phosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IU 5-iodo-2'-deoxyuridine-5'-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 5IW (2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O 5IX (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 5IZ (2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide +c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5J0 3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol +c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O 5J1 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol +c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O 5J2 4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O 5J4 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O 5J5 2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid +COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4 5J6 methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O 5J7 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 5J8 [[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N 5J9 3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine +C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC 5JA (5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 5JB (25s)-3-oxocholest-4-en-26-oyl-coa +c1cc(c(cc1Cl)Cl)O 5JC 2,4-dichlorophenol +c1cc(c(cc1O)Cl)Cl 5JD 3,4-dichlorophenol +c1ccc2c(c1)[nH]c(n2)n3ccnc3 5JE 2-imidazol-1-yl-1h-benzimidazole +c1cc(c(c(c1)Cl)Cl)O 5JF 2,3-dichlorophenol +COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4 5JG 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine +CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C 5JH (1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate +CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl 5JJ n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C 5JK 7alpha-hydroxycholesterol +C12=C(NC(=S)N1)NC(=S)NC2=O 5JL 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl 5JM 4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C 5JN 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate +C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 5JO 2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate) +CN[C@@H](CO)C(=O)O 5JP n-methyl-l-serine +C12=C(NC(=O)N1)NC(=S)NC2=O 5JQ 2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione +CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC 5JR n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC 5JS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N 5JT (3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine +Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6 5JU n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O 5JV 4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid +c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl 5JW {[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid +c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O 5JX 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol +CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5JY 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol +CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC 5JZ n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide +CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K0 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol +CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K1 4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol +c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5K2 4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol +CO[C@@H](CCc1ccc(cc1)O)O 5K3 4-[(3s)-3-hydroxy-3-methoxypropyl]phenol +CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K4 4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O 5K5 4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol +COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K7 methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate +COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC 5K8 dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate +c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O 5KA 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol +c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KB 4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol +C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O 5KC (2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid +COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KD 4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O 5KE 4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O 5KF 4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O 5KG 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O 5KH n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide +C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2 5KI (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate +[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N 5KJ n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine +C1CNCN2CNCCNCN(CN1)CNCCNC2 5KK 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane +CN(C)/C=C/C(=O)c1ccccc1O 5KL (2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one +c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 5KM 2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid +c1cc(c(cc1N2CCOCC2)N3CCOCC3)N 5KN 2,4-di(morpholin-4-yl)aniline +C[C@H](CC=O)O 5KO (3r)-3-hydroxybutanal +Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C 5KP n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide +CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O 5KQ (6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid +Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O 5KR 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F 5KS 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O 5KT 3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside +CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N 5KU (6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O 5KV 2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl 5KW 2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide +c1cnc([nH]1)Cl 5KX 2-chloro-1h-imidazole +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O 5KY 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid +CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 5KZ (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5 5L0 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone +CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O 5L2 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate +CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O 5L3 (6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N 5L4 3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC 5L5 (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate +CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN 5L6 n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine +Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O 5L7 2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol +c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L8 (2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L9 (2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1c2cc(sc2[nH]c1C(=O)O)Cl 5LA 2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid +c1c(nnn1CCN)C[C@@H](C(=O)O)N 5LB (2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O 5LC n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) +c1ncn(n1)C[C@H](CP(=O)(O)O)O 5LD [(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +c1c(nnn1CCCN)C[C@@H](C(=O)O)N 5LE (2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid +c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N 5LF (2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LG (phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LH (phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O 5LI 2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO 5LJ (phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate +CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O 5LK 4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol +c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LL 5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LM 5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione +C(O)[Ru](CO)(O)(O)Cl 5LN chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium +CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C 5LO 4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O 5LP 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid +CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl 5LQ 5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl 5LR 5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O 5LS 2,4-di-o-sulfo-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 5LT 3,4-di-o-sulfo-alpha-d-glucopyranose +CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 5LU prochloraz +CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO 5LV 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one +C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LW 1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LX 1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LY 1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LZ 1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +Cc1ccc(c(c1)C(=O)O)N 5M0 2-azanyl-5-methyl-benzoic acid +Cc1ccc([nH]1)C(=O)O 5M1 5-methyl-1h-pyrrole-2-carboxylic acid +Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O 5M2 (~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4 5M6 1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide +c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl 5M7 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid +Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O 5M8 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid +Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl 5M9 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine +c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine +Cc1ccc2c(c1)[nH]cn2 5MB 5-methylbenzimidazole +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MC 5-methylcytidine-5'-monophosphate +CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O 5MD 2'-deoxy-1-methyl-pseudouridine +C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 5ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide +CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C 5MF 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine +c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 5MG 3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one +CC1=CN(C(=S)C=C1)O 5MH 1-hydroxy-5-methylpyridine-2(1h)-thione +Cc1ccc2c(c1)cc[nH]2 5MI 5-methyl indole +CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC 5MJ 3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide +c1cc(c(cc1Cl)C(=O)N)N 5MK 2-azanyl-5-chloranyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4 5ML 3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide +CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5MM 2-o-methyl-1,6-di-o-phosphono-d-mannitol +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5 5MN ~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5 5MO n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +Cc1cc[nH]c1 5MP 5-methylpyrrole +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5 5MQ n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N 5MR nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide +Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3 5MS n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide +C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N 5MT 4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MU 5-methyluridine 5'-monophosphate +C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC 5MV 3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid +c1c(nnn1CCC[C@@H](C(=O)O)N)CN 5MW (2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid +c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 5MX benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5MY myo-inositol-(1,3,4,5,6)-pentakisphosphate +c1cc(cc(c1)N)c2nc(on2)CCl 5MZ 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C 5N0 3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4 5N1 6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine +c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N 5N2 2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile +CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C 5N3 ~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C 5N4 ~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5N5 5'-amino-5'-deoxyadenosine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O 5N6 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N 5N7 (13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide +C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F 5N8 4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one +Cc1cccc2c1ccc(c2C(=O)O)O 5NA 2-hydroxy-5-methyl naphthoic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5NB 5'-amino-8-bromo-5'-deoxyadenosine +C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O 5NC 5-aza-cytidine-5'monophosphate +c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3 5ND 5-(2-naphthylmethyl)-d-hydantoin +Cc1cccc2c1cccc2C(=O)O 5NE 5-methylnaphthalene-1-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O 5NG [[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C 5NH 1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate +c1cc2c(cc1[N+](=O)[O-])cn[nH]2 5NI 5-nitroindazole +Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O 5NJ 6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid +Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN 5NK 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol +c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3 5NL 5-(2-naphthylmethyl)-l-hydantoin +CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br 5NM 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one +c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5NN 5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one +c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5 5NO 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one +c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl 5NP (9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one +CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C 5NQ 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione +c1ccc(cc1)CC2CCN(CC2)CCN 5NR 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine +c1cc2c(cccc2S(=O)(=O)O)c(c1)N 5NS 5-aminonaphthalene-1-sulfonic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O 5NT 2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] 5NU 5-nitrouracil +CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N 5NV 8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C 5NW n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine +c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O 5NX 3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7 5NY 2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N 5NZ 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O0 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5 5O1 ~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N 5O2 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O3 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2 5O4 4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine +c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl 5O5 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole +C/C(=C\C(=O)O)/c1ccc(cc1)OC 5O6 (~{e})-3-(4-methoxyphenyl)but-2-enoic acid +Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC 5O7 ~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O 5O8 ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl 5OA 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine +COc1ccc2c(c1)[nH]cn2 5OB 5-methoxybenzimidazole +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O 5OC 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) +CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N 5OD 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C 5OE ~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc2c(c1)C(=NNC2=O)CC(=O)O 5OF 2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid +c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO 5OG belinostat +C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N 5OH (2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3 5OI (1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine +c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO 5OJ 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO 5OK oxamflatin +CC(NCCCC[C@@H](C(=O)O)N)(O)O 5OL n~6~-(1,1-dihydroxyethyl)-l-lysine +C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O 5OM (2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid +c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O 5ON (~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid +c1cc(c(cc1Cl)Cl)/C=C/C(=O)O 5OO (~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid +CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O 5OP (5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid +Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC 5OQ ~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine +c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O 5OR 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol +c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O 5OS 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol +c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N 5OT 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl 5OU 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O 5OW (2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O 5OX (7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid +C(C[C@@H](C(=O)O)N)CP(=O)(O)O 5OY 5-phosphono-l-norvaline +CC(C)C=O 5OZ 2-methylpropanal +c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O 5P1 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol +CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F 5P2 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide +c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O 5P3 5-chloro-4-hydroxybiphenyl-3-carboxylic acid +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C 5P4 propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC 5P5 (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N 5P6 2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile +c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO 5P7 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 5P8 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl 5P9 n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O 5PA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid +c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl 5PB 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PC 5(1-propynyl)-2'-deoxycytidine-5'-monophosphate +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O 5PD (r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate +COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3 5PE (2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O 5PF (1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CN[C@@H](c1ccc(cc1)O)C(=O)O 5PG (2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2 5PH 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid +CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC 5PI n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4 5PJ 1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone +c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O 5PK (1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C 5PL (1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate +c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4 5PM 4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline} +Cc1c(c2c(cn1)C(=O)OC2)O 5PN 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one +CCCCCc1ccc(c(c1)O)Oc2ccccc2 5PP 5-pentyl-2-phenoxyphenol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O 5PQ 3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1c(c(c(cn1)C(=O)O)CO)O 5PR 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 5PS (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide +c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O 5PU 4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +c1ccc(cc1)CCCCC(=O)O 5PV 5-phenylvaleric acid +CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-] 5PW n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide +c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3 5PX 4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PY 1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one +[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C 5PZ (1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol +c1cc2c(cccn2)c(c1)O 5Q0 quinolin-5-ol +c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O 5Q1 4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl 5Q2 4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N 5Q3 4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC 5Q4 4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +Cc1ccccc1NC(=S)N 5Q5 1-(2-methylphenyl)thiourea +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O 5Q6 [2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +CC(C)Cc1nc(c(o1)N)C#N 5Q7 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile +c1ccc(cc1)Cc2nc(c(o2)N)C#N 5Q8 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile +CC(=O)N(C)Cc1c(cccc1Cl)Cl 5Q9 ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide +c1cc(c(c(c1)Cl)CNC(=O)CO)Cl 5QA ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide +CC(=O)NCc1c(cccc1OC)OC 5QB ~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O 5QC 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one +CC(=O)NCc1c(cccc1Cl)Cl 5QD ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide +C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C 5QE ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide +CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C 5QG 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O 5QH ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N 5QI n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O 5QJ (2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol +c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O 5QK ~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O 5QL ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide +c1cc(cc2c1ccnc2)C#CCO 5QM 3-(isoquinolin-7-yl)prop-2-yn-1-ol +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C 5QN methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate +Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O 5QO macrocyclic quinoxaline-pyrrolodihydropiperidinone +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O 5QP (1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F 5QQ 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O 5QR 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid +CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O 5QS 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol +CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S 5QT 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate +Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4 5QU (2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4 5QV (4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3 5QW ~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide +CN1c2ccccc2NCC1=O 5QX 1-methyl-3,4-dihydroquinoxalin-2-one +C[C@H]1C(=O)Nc2ccccc2N1 5QY (3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one +CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 5QZ 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid +CC(C)(C)c1ccc(cc1)C(=O)O 5R0 4-~{tert}-butylbenzoic acid +COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 5R1 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6 5R2 2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +COC(=O)[C@H](CO)N 5R5 methyl l-serinate +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O 5R6 nogalamycin ro +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N 5R7 (2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN1CCCN(CC1)Cc2ccc(cc2)CN 5R8 [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine +CN1CCCN(CC1)Cc2ccc3c(c2)cccn3 5R9 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline +CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C 5RA 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C 5RB 5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid +CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F 5RC ~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +CCCCNCc1ccc(cc1)S(=O)(=O)N 5RD 4-(butylaminomethyl)benzenesulfonamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O 5RE (2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC 5RF (2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +c1cc(c(cc1F)C(=O)O)N 5RG 2-amino-5-fluorobenzoic acid +C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O 5RH cytochalasin b +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 5RI n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide +CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O 5RL 6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol +CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C 5RM (5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one +CC(=O)c1c[nH]c2c1cccc2 5RN 1-(1~{h}-indol-3-yl)ethanone +Cc1cccc2c1[nH]cc2C(=O)C 5RO 1-(7-methyl-1~{h}-indol-3-yl)ethanone +C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O 5RP ribulose-5-phosphate +CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5RQ 1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5 5RS ~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5 5RT 1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F 5RU 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N 5RV 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile +c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F 5RW 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl 5RX 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N 5RY 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile +c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br 5RZ 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N 5S4 [(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C 5S5 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C 5S6 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O 5S7 (2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol +Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC 5S8 ~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide +Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F 5S9 ~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO 5SA acarbose derived pentasaccharide +CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3 5SB ~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide +Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-] 5SC 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 5SD 5alpha-androstan-3,17-dione +C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5SE 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) +CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC 5SF ~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine +c1cc2cnccc2c(c1)O 5SG isoquinolin-5-ol +c1ccc(cc1)c2ccncc2 5SH 4-phenylpyridine +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O 5SI 2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione +CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C 5SJ ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate +CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C 5SK ~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine +Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4 5SL ~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F 5SM 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine +Cc1cc2nnc(n2c3c1cccc3)C 5SN 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC 5SO fusicoccin a-thf derivative +C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O 5SP 5-o-phosphono-d-xylulose +c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 5SQ 2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-] 5SR [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN 5SS 4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN 5ST methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 5SU methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5SV [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate +CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC 5SW 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O 5SY [(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F 5SZ 6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one +CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5T0 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one +C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O 5T1 6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one +c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3 5T2 2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CCN(CCCC[C@@H](C(=O)O)N)C(C)C 5T3 n~6~-ethyl-n~6~-propan-2-yl-l-lysine +c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3 5T4 ~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F 5T5 [(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone +Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl 5T6 (4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine +C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl 5T7 (1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide +C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl 5T8 (5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine +[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O 5T9 (2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN 5TA (5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one +CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 5TB 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one +c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4 5TC 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide +c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3 5TD 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile +c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3 5TE 3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide +C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C 5TF (s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine +CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5TG ~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O 5TH [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O 5TI 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O 5TJ [(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O 5TK (2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol +c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N 5TL 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O 5TM [(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 5TN (2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C1CCC(C1)CCC(=O)N2CCCC2 5TO 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one +c1csc(n1)C(=O)CC[C@H]2CCCCN2 5TP 3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O 5TQ 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C 5TR [(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate +c1cc(sc1c2ccno2)S(=O)(=O)O 5TS 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid +CNCc1ccc(cc1)N2CCCCC2 5TT ~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine +CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N 5TU 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 5TW 3-oxo-23,24-bisnorchol-4-en-22-oyl-coa +C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O 5TX ((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid +CN1C=Cc2c(cnc(n2)N(C)C)C1=O 5TY 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one +c1cnc(cc1C(=O)O)c2csc(n2)N 5TZ 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C 5U0 s-farnesyl-l-cysteine methyl ester +Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C 5U1 2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC 5U2 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one +C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O 5U3 3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one +Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C 5U4 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one +CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C 5U5 3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide +CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC 5U6 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC 5U7 5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide +CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F 5U8 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2 5U9 ~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N 5UA 5'-o-carboxy-2'-deoxyadenosine +c1cnc(c2c1C(=O)NC=N2)c3cscn3 5UB 8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)Cl 5UC 5-chloropyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F 5UD 5-fluorouridine +C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+] 5UE [(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium +CCCCCCC[C@@H](CC(=O)O)O 5UF (3~{s})-3-oxidanyldecanoic acid +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O 5UG [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate +COc1ccc(cc1c2ccccc2)CC(=O)O 5UH 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid +CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5UI 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl 5UJ 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O 5UK 2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid +c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UL 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N 5UM n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N 5UN n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UO 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cnc(cc1C(=O)N)c2csc(n2)N 5UP 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC 5US 3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide +CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C 5UT 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one +c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F 5UU 6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F 5UV 7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3 5UW ~{n}-(3,3-diphenylpropyl)piperidin-4-amine +c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F 5UX 6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N 5UY methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5UZ 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid +c1cc(oc1)CNCc2cc(ccn2)C(=O)O 5V0 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid +c1ccc(cc1)CNCc2cc(ccn2)C(=O)O 5V1 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid +CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F 5V2 n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3 5V3 8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 (1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol +COc1ccc(cc1c2cccs2)CC(=O)O 5V5 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid +COc1ccc(cc1c2ccsc2)CC(=O)O 5V6 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid +c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N 5V7 8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O 5V8 2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide +c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O 5VC 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid +C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O 5VD methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate +[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VE ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N 5VF ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VG ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 5VH ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C 5VI (2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2 5VJ 6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide +CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O 5VK ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate +c1ccc(c(c1)c2ccccc2O)O 5VL 2-(2-hydroxyphenyl)phenol +c1cc2c(cc1Cl)NC(=S)O2 5VM 5-chloranyl-3~{h}-1,3-benzoxazole-2-thione +C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O 5VN caulophyllogenin +c1ccc(cc1)C(=O)CCCCC(=O)O 5VO 6-oxidanylidene-6-phenyl-hexanoic acid +C=CCO 5VQ 2-propen-1-ol +CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O 5VR [[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C 5VS 2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one +COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4 5VT (2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide +c1cc(c(cc1F)F)NC(=O)N2CCCC2 5VU n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide +C([C@@H](C=O)NC(=O)O)C(=O)N 5VV n-carbamoyl-l-asparagine +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2 5VW [[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate +CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5VX 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 5VY 2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C 5VZ ~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W0 ~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W1 ~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC 5W3 ~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4 5W4 (3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one +COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F 5W5 methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC 5W6 ~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC 5W7 ~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C 5W8 ~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC 5W9 ~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O 5WA (1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol +Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC 5WB 5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N 5WC 1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N 5WD 3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid +CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5 5WE 4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide +CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F 5WF 4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F 5WH 4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4 5WJ ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O 5WK 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol +CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4 5WL 6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide +c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N 5WM 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccc2c(c1)c(cs2)CNS(=O)(=O)N 5WN 3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4 5WO ~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide +CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C 5WP rifampin-phosphate +CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C 5WQ rifampin +C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5WR (4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide +CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C 5WS ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide +CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C 5WT ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide +Cc1c2c(n(n1)CCO)CCCC2=O 5WU 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one +CN1Cc2ccccc2C1=O 5WV 2-methyl-3~{h}-isoindol-1-one +COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5WW 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one +COc1cccc2c1c(no2)N 5WX 4-methoxy-1,2-benzoxazol-3-amine +c1cc(c2c(c1)OCCO2)C(=O)N 5WY 2,3-dihydro-1,4-benzodioxine-5-carboxamide +C1CC1C(=O)N2CCC(CC2)N 5WZ (4-azanylpiperidin-1-yl)-cyclopropyl-methanone +C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3 5X 5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3 5X0 ~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide +C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5X1 3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4 5X2 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl 5X3 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid +CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C 5X4 ~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N 5X8 s-adenosyl-l-cysteine +Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O 5X9 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid +C(CCN)CC(=O)NO 5XA 5-amino-n-hydroxypentanamide +C1[C@H](N[C@H](S1)C(=O)O)C(=O)O 5XB (2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid +c1cc2c(cc1C=O)OCO2 5XC 1,3-benzodioxole-5-carbaldehyde +CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C 5XD 4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide +Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br 5XE 4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide +CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC 5XF ~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide +c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N 5XG 8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C 5XH ~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide +CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F 5XJ 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine +CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XK 6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4 5XM (3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+] 5XN (1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium +Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N 5XO (s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid +c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN 5XP (2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid +Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC 5XQ ~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O 5XR 2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid +COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2 5XS methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O 5XT ~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide +C[C@@H](C=O)N 5XU (2~{s})-2-azanylpropanal +C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N 5XV ~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide +C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O 5XW (2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XX 2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XY 2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 5XZ 2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O 5Y0 n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y2 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y3 ~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y4 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br 5Y5 2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl 5Y6 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl 5Y7 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide +Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N 5Y8 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +CC(=O)N(C)C 5Y9 ~{n},~{n}-dimethylethanamide +c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO 5YA 4-naphthalen-1-yl-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N 5YB n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine +CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3 5YC 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F 5YD 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide +CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F 5YE 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO 5YF 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O 5YI (1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5YJ 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O 5YL 5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid +c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 5YN 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O 5YQ 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4 5YU n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4 5YW n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F 5YX n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N 5YY ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate +CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6 5Z1 4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl 5Z3 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F 5Z4 ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate +Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl 5Z5 5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br 5Z7 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc2c(c(c1)[N+](=O)[O-])non2 5Z8 4-nitro-2,1,3-benzoxadiazole +CC[C@](C)(C#N)O 5Z9 (2r)-2-methyl-2-oxidanyl-butanenitrile +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O 5ZA (5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C 5ZB (2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide +Cc1cc(nc(n1)N)C 5ZE 4,6-dimethylpyrimidin-2-amine +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl 5ZF n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 5ZI 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F 5ZJ 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +Cc1c2c(c(ncn2)NC)[nH]n1 5ZK ~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 5ZL [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C 5ZM 5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O 5ZN 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde +COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2 5ZO (~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C 5ZP (3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO 5ZT 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione +c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5ZW 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O 5ZZ (2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid +CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC 600 6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid +CN(C)c1ccc(cc1)C(=O)NN 601 4-(dimethylamino)benzohydrazide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2 602 [[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O 603 ~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide +Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O 604 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos e +c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N 605 4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O 606 (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N 607 2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4 608 n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide +c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O 609 7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid +C[C@H](COCCO)OCO 60A 2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 60B ~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23 60C (c_{60}-i_{h})[5,6]fullerene +CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6 60D 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide +CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6 60E 2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol +c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O 60F (2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid +COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC 60G methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate +c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3 60H (2~{s})-2-(diphenylmethyl)pyrrolidine +Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C 60I [4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N 60K (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid +CNCc1cccc(c1)c2cccs2 60L ~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine +c1cc(nc(c1)C(=O)O)CP(=O)(O)O 60M 6-(phosphonomethyl)pyridine-2-carboxylic acid +c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O 60N 6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid +c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 60O 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccsc1C(=O)O 60P 3-methylthiophene-2-carboxylic acid +c1ccc(c(c1)C(=O)O)n2cccc2 60Q 2-pyrrol-1-ylbenzoic acid +c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F 60R 6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N 60S 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F 60T (2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N 60U 5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N 60V 5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N 60W 3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F 60X (2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N 60Y 3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C 60Z (3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-] 610 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O 611 n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2 612 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl 613 4-(4-chlorophenyl)piperazine-1-carboximidamide +Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5 614 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N 615 (1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide +CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C 616 n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl 617 2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid +Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C 618 (3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide +CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 619 n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl 61C platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1) +OI 61D hypoiodous acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl 61E 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CC(=C)C=C 61G 2-methylbuta-1,3-diene +c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O 61H (1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O 61J (6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N 61K (3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide +Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O 61L 4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid +c1ccc(c(c1)C(=O)CC(=O)O)N 61M 3-(2-aminophenyl)-3-oxopropanoic acid +c1cc2cc(ccc2c(c1)C(=O)O)O 61N 6-hydroxynaphthalene-1-carboxylic acid +c1ccc(c(c1)c2cccnc2)C(=O)O 61O 2-(pyridin-3-yl)benzoic acid +c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N 61P 2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name) +c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN 61Q 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid +CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N 61S tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate +c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N 61T [(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate +C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O 61U 5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile +c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I 61V n-(1-benzylpiperidin-4-yl)-4-iodobenzamide +CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C 61W 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole +CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F 61X 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline +CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4 61Y 4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine +c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N 620 n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine +CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C 621 n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide +Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F 622 6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N 623 3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide) +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl 624 2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl 625 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5 626 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC 627 n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide +c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl 628 4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O 629 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C 62A 2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C 62B lefamulin +c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl 62C 2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose +CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC 62D 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6 62E 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea +Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O 62F [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N 62G cpi-0610 +C[C@@H](CN)C(=O)O 62H (2s)-3-amino-2-methylpropanoic acid +CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O 62I (6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2 62K 2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O 62L 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O 62M [6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 62N n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine +COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3 62O 6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole +Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl 62P 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F 62Q {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F 62R 4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 62S [(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F 62T {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone +C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC 62U (8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate +Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl 62V 6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine +C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O 62W l-glucitol +CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 62X 5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine +c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br 62Y 3-bromophenyl hydrogen (s)-phenylphosphonate +CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl 630 1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one +CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC 631 (1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3 632 2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C 633 n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 634 n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5 635 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O 636 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 637 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O 638 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide] +Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 639 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile +CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 63A 1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one +COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F 63B methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate +CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl 63C (3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl 63D 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid +CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3 63E 4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F 63F n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O 63G (6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O 63H (6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O 63I (1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol +c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F 63J 2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide +c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F 63K 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea +CSc1c(c(n(n1)C(=O)N)N)C(=O)N 63L 5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide +CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C 63M n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 63N n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C 63O n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C 63P (9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C 63Q (4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide +CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4 63R n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide +C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O 63T [(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 63U (2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 63V (2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N 63W 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O 63X mofezolac +Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N 63Y 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine +CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 640 (2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid +c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 641 (3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5 642 (1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid +Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl 643 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O 644 2,6-bis[(2-carboxyphenyl)amino]benzoic acid +CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O 645 [1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 646 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 647 5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 649 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O 64A {[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid +COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC 64B methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64C 1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one +c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl 64D 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid +CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64E 1-propylisochromeno[3,4-c]pyrazol-5(3h)-one +CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64F 1-butylisochromeno[3,4-c]pyrazol-5(3h)-one +c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F 64I 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N 64J 5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O 64K alpha-d-arabinopyranose +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br 64L kb2115 +COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 64M 5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl 64N 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl 64O n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N 64P 5-aminothymidine 5'-(dihydrogen phosphate) +Cc1ccccc1Nc2cc(nc3n2cnn3)C 64Q 7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine +Cc1ccc2c(c1)NC(=O)[C@H](O2)C 64R (2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one +CCNc1c2cc(c(cc2ncn1)OC)OC 64S n-ethyl-6,7-dimethoxyquinazolin-4-amine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O 64T 5-hydroxy-thymidine-5'-monophosphate +c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N 64U 3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO 64V 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid +CC(=CCC/C(=C/CO)/C)C 64Z geraniol +C/C=C(\C)/CCC=C(C)C 650 beta-myrcene +c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O 651 (3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol +CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O 652 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol +c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+] 653 5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +Cc1ccc(cc1)Cn2cc(nc2)c3cccs3 654 4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole +c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 655 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate +CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 656 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1cc2c(cc1OC(F)(F)F)sc(n2)N 657 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine +Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C 658 n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O 659 n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC 65A 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N 65B 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile +Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N 65C chir99021 +CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O 65D octyl 3,4,5-trihydroxybenzoate +Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N 65H 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN 65I (9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate +CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N 65J 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +[H]/N=C(/c1ccc(cc1)C(=O)O)\N 65K 4-carbamimidoylbenzoic acid +c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3 65L [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol +CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N 65N n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine +Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N 65O 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine +Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F 65P (2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid +Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N 65Q 5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4 65R 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +C(C(=O)C(=O)O)F 65S 3-fluoro-2-oxopropanoic acid +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4 65U 5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide +c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O 65V 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3 65W 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid +c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl 65X 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline +CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl 65Y 6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid +c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl 65Z 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 660 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O 662 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide +Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 663 3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide +Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C 664 1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 665 (3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I 666 6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one +c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3 667 6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate +CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O 668 2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide +c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl 669 1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid +c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 66A 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O 66B (8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN 66C 4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine +CC[C@@H](C)C[C@@](C)(C(=O)O)N 66D (4r)-2,4-dimethyl-l-norleucine +CCN[C@@H](C(C)C)C(=O)O 66E n-ethyl-l-valine +C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F 66F n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2 66G (4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4 66H n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide +[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 66J (3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide +Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 66K 4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide +c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F 66L n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N 66M (2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) +C[C@@H](C(=O)N)N 66N l-alaninamide +C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O 66O alpha-l-6-dexoy-gulopyranose +c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N 66P 4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O 66R trans-ned 19 +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 66S s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC 66T n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide +C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O 66U (1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO 66V 1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium +CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4 66X n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea +C1[C@@H]2C=C[C@H]1NC2=O 66Y (1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one +C1[C@H]2C=C[C@@H]1NC2=O 66Z (1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one +c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 670 p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N 671 1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N 672 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2 673 n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine +c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O 674 6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N 675 6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide +c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F 676 n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N 677 (2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine +c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-] 678 (3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl 679 2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 67A 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one +CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 67B n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide +CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C 67C 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide +c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O 67D 3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine +CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 67F (2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name) +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F 67G (1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F 67H 7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C 67J n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccnc(c1)c2cc(cc(n2)C=O)O 67K 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde +c1ccnc(c1)c2cc(cc(n2)CO)O 67L 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 67M (2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) +CN1C=Cc2cc[nH]c2C1=O 67N 6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C 67O (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67P n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide +Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 67Q 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67R 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO 67S {2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N 67T 2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile +CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br 67U 6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC 67V methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate +c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3 67W (2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid +C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N 67X (3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide +c1ccc2c(c1)CCC[C@H]2NC(=O)CO 67Y 2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide +COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC 67Z 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-] 680 6-methylamino-5-nitroisocytosine +CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3 681 2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N 682 n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide +Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 683 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid +c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O 684 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid +Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C 685 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br 686 n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 687 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide +c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4 688 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid +C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C 689 4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +Cc1c2c(sc1C(=O)O)N=CN(C2=O)C 68A 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid +c1ccc(cc1)C(=O)Nc2cncnc2 68B n-(pyrimidin-5-yl)benzamide +Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O 68C 5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide +Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O 68D {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC 68E 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O 68F (2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol) +CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C 68G 13'2-hydroxyl-chlorophyll a +CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O 68H salbutamol +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F 68J n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F 68K n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide +c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6 68L n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide +Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C 68M (2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide +c1ccc2c(c1)CCN[C@@H]2CO 68N [(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +CCc1cc(c(cc1F)Oc2ccccc2F)O 68O 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F 68P (1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile +c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O 68Q 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5 68R 2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one +COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO 68T 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide +CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C 68U n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O 68V 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O 68W 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid +C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3 68Y (4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O 68Z 1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate +B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O 690 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CC(=O)Nc1cc2ccccc2nc1 691 n-(quinolin-3-yl)acetamide +CNCc1ccccc1c2cccs2 692 n-methyl-1-(2-thiophen-2-ylphenyl)methanamine +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F 693 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate +c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O 694 4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid +CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC 695 n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide +c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N 696 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O 697 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O 698 (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O 699 (2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3 69A (4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5 69B (4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4 69C (6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br 69D (1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C 69E (4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4 69F (4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 69G 3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide +CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O 69H 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol +CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O 69J 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol +CCc1cc(c(cc1F)Oc2cccnc2C)O 69K 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol +c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N 69M 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol +CCCC(=O)C(=O)O 69O 2-oxopentanoic acid +c1[nH]c2c(n1)c(ncn2)N3CCNCC3 69P 6-piperazin-1-yl-9h-purine +CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O 69Q 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol +c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O 69R 4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O 69S 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol +c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O 69T 4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol +c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O 69U 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5 69V 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N 69W 4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine +c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F 69Y 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one +Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 69Z [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone +C(CC[C@@H](C(=O)O)N)CCC(=O)NO 6A0 (2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid +C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O 6A1 hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium +CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-] 6A4 (4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate +Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN 6A5 sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone +c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F 6A6 (3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone +Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 6A7 [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone +[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6A8 ((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol +COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 6A9 n-9'-methoxynonyl-1-deoxynojirimycin +c1ccc(c(c1)C(=O)O)N 6AB 6-aminobenzoic acid +C=CC#N 6AC prop-2-enenitrile +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N 6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) +C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N 6AE 4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O 6AF (2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol +C(CCCO)CCN 6AH 6-aminohexan-1-ol +c1cc2cn[nH]c2cc1N 6AI 1h-indazol-6-amine +CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O 6AJ 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl 6AL 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid +c1(nc(nc(n1)O)N)N 6AM 4,6-diamino-1,3,5-triazin-2-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 6AN 6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N 6AO (2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide +c1[nH]c2c(n1)c(nc(n2)N)N 6AP 9h-purine-2,6-diamine +c1cc(ccc1n2ccnc2)F 6AQ 1-(4-fluorophenyl)-1h-imidazole +c1cc(ccc1n2ccnc2)Br 6AR 1-(4-bromophenyl)-1h-imidazole +CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C 6AS (2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N 6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 6AU 6-acetyluridine 5'-phosphate +c1cc(c(cc1Cl)N)n2ccnc2 6AV 5-chloro-2-(1h-imidazol-1-yl)aniline +CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C 6AW 1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate +c1cc(ccc1Cc2nnc(o2)N)Cl 6AX 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine +Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl 6AY n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-] 6AZ 6-azidouridine 5'-(dihydrogen phosphate) +c1cc(c(c(c1)Cl)Cl)CO 6B0 (2,3-dichlorophenyl)methanol +c1c2c(cc(c1Cl)Cl)nc([nH]2)CO 6B1 (5,6-dichloro-1h-benzimidazol-2-yl)methanol +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C 6B2 n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide +c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O 6B3 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 6B4 1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea +COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6B5 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one +O[Pt](O)(O)O 6B6 platinum(4+) tetrahydroxide +CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C 6B7 (2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC 6B8 (2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 6B9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid +c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F 6BB 4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl 6BC 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O 6BD (2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid +CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C 6BE 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine +CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5 6BF 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br 6BG 6-bromo-6-deoxy-beta-d-glucopyranose +c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-] 6BH n-[3-(benzyloxy)phenyl]-3-nitrobenzamide +c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4 6BJ n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide +c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one +Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one +C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O 6BM [(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid +CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl 6BN 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one +Br[Pt](Br)(Br)(Br)(Br)Br 6BP hexabromoplatinate(iv) +C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O 6BQ phosphorylated josamycin +C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-] 6BR threoninevanadate +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C 6BS 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide +c1ccc2c(c1)CCN[C@H]2CO 6BT [(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 6BU n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6BV (2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol +C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C 6BW (2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene +C1COCCN1C[C@@H](CS(=O)(=O)O)O 6BX (2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +C1COCCN1C[C@H](CS(=O)(=O)O)O 6BY (2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC 6BZ 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O 6C0 methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate +B(c1ccccc1OCc2cccc(c2)Cl)(O)O 6C1 {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O 6C2 methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid +Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4 6C3 6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one +C1CCC(C1)CNC(=O)C2CCCC2 6C4 n-(cyclopentylmethyl)cyclopentanecarboxamide +C1CCC(C1)CNC(=O)N2CCCC2 6C5 n-(cyclopentylmethyl)pyrrolidine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4 6C6 n-cyclopentyladenosine 5'-(dihydrogen phosphate) +CC(=CCSP(=O)(O)OP(=O)(O)O)C 6C7 s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate +c1cocc1/C=C/C(=O)N2CCCC2 6C8 (2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one +C1CCN(C1)C(=O)NC[C@@H]2CCOC2 6C9 n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 6CA 4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid +Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N 6CB 3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide +c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl 6CC 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1 6CD 2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O 6CE 5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 6CF 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N 6CG 5'-s-phosphono-5'-thioguanosine +CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC 6CH [(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate +c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O 6CJ n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N 6CK [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N 6CL 6-carboxylysine +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O 6CM n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N 6CN 6-cyanouridine 5'-phosphate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C 6CO [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron +c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 6CP 6-cyclohexylmethoxy-2-(3'-chloroanilino) purine +Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C 6CQ [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N 6CR 6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine +CC1=N[C@@H]([C@H](CN1)O)C(=O)O 6CS (4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C 6CT phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group +CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C 6CU (6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole +c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV 3-bromo-l-phenylalanine +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N 6CW 6-chloro-l-tryptophan +c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6CX 5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine +CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N 6CY 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile +CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6CZ 5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N 6D0 5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N 6D1 5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine +[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6D2 5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine +c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N 6D3 (2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N 6D4 5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N 6D5 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N 6D6 5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine +CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O 6D7 (r)-orteronel +CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O 6D8 vt-464 +c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7 6DA n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O 6DB octopine +CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C 6DC n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O 6DD n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid +CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C 6DE 1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O 6DF [6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N 6DG (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine +c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO 6DH 3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol +CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O 6DJ (3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol +c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O 6DK 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide +c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F 6DL 5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O 6DM 6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C(CCNCC(=O)O)C[C@@H](C(=O)O)N 6DN (2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 6DO (2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid +CS(=O)(=O)Nc1cccc2c1cn[nH]2 6DP ~{n}-(1~{h}-indazol-4-yl)methanesulfonamide +c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3 6DQ 2-pyridin-3-yl-1,3-benzothiazin-4-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3 6DR 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O 6DS (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4 6DT n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine +c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU 2-bromo-l-phenylalanine +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F 6DV n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7 6DW 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DX 2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DY 2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N 6DZ 2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CCCCCCCCCCCCCCCCCCP(=O)(O)O 6E0 octadecylphosphonic acid +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F 6E1 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside +COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5 6E2 2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide +CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C 6E3 2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +C(CC(=O)N)[C@@H](C(=O)N)N 6E4 l-glutamamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5 6E5 n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N 6E6 1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O 6E7 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid +CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C 6E8 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3 6E9 n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N 6EA (1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine +Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O 6EB 8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O 6EC 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O 6ED 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid +c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl 6EE (betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5 6EF n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N 6EG n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3 6EH nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide +Cc1ccc(cc1)OS(=O)(=O)O 6EI (4-methylphenyl) hydrogen sulfate +c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F 6EJ (1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one +c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O 6EK (2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O 6EL 2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione +CC[C@@H](C(=O)N)[N+](C)(C)C 6EM (2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium +Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O 6EN 3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid +c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl 6EO 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid +Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl 6EP 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O 6EQ 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC 6ER (s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate +CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O 6ES (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate +c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl 6ET capsazepine +C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C 6EU resiniferatoxin +CSc1c2c(cs1)C=CC(=C)C2=O 6EV 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one +CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6EW n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +CC(=O)n1ccnc1 6EX 1-(1h-imidazol-1-yl)ethan-1-one +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl 6EY (6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one +c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F 6EZ (3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide +c1cc(c(c(c1)F)C(=O)O)N 6F0 2-azanyl-6-fluoranyl-benzoic acid +CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6F1 n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C 6F2 [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone +CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O 6F3 n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide +c1cc(sc1)CNc2nnc(s2)N 6F4 n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine +CC(C)CCCCC(=O)O 6F5 6-methylheptanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O 6F7 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) +CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O 6F8 3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol +CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1 6F9 7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide +Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O 6FA 6-hydroxy-flavin-adenine dinucleotide +c1cncc2c1cc3c(c2)cnc(n3)N 6FB pyrido[3,4-g]quinazolin-2-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FC 2'-trifluoromethylthio-2'-deoxycytidine +c1cncc2c1c(c3c(c2)cnc(n3)N)N 6FD pyrido[3,4-g]quinazoline-2,10-diamine +CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC 6FE 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline +CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6FF 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide +c1cocc1CCC(=O)N2CCCC2 6FG 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one +CC[C@H](C)CCCCC(=O)O 6FH (6~{s})-6-methyloctanoic acid +CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F 6FJ 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide +CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N 6FK [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F 6FL 5,5,5,5',5',5'-hexafluoro-l-leucine +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O 6FM 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 6FN 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) +c1c(nc2c(n1)N=C(NC2=O)N)C=O 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde +c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 6FQ 2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +C1CCC(C1)CCS(=O)(=O)N2CCCC2 6FR 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine +COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC 6FS n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine +c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N 6FT 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FU 2'-trifluoromethylthio-2'-deoxyuridine +c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O 6FV 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl 6FW 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O 6FX methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate +CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N 6FY (2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid +c1ccc2c(c1)CC(C2)C(=O)O 6FZ 2,3-dihydro-1h-indene-2-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 6G0 5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4 6G1 cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4 6G2 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine +CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F 6G3 n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N 6G4 4-oxononanoyl lysine +C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC 6G6 2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate +c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F 6G7 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br 6G9 2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid +c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO 6GA (2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O 6GB 6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose +CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GC n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide +CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F 6GD 6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine +Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O 6GE 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol +COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GF 6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl 6GG 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4 6GH n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine +c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N 6GI 13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine +CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O 6GJ (3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GK 6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +C(C[C@@H](C(=O)O)N)COP(=O)(O)O 6GL 5-(phosphonooxy)-l-norvaline +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol +c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O 6GN 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +COc1c2c(nc[nH]2)nc(n1)N 6GO 6-o-methylguanine +COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 6GP n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3 6GQ n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide +c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O 6GR 2-(alpha-l-altropyranosyloxy)benzoic acid +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F 6GS 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) +C(CCC(=O)O)CC(=O)C(=O)O 6GT 2-oxoheptanedioic acid +c1[nH]c2c(n1)c(nc(n2)N)Cl 6GU 6-chloroguanine +CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GV 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide +Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4 6GW 2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide +Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C 6GX n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide +CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl 6GY 5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine +Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O 6GZ (2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid +c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N 6H0 ~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide +c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F 6H1 6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol +c1ccn2cc(nc2c1)c3ccc(c(c3)O)O 6H2 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl 6H3 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl 6H4 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N 6H5 4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine +c1ccc2c(c1)N(C(=O)O2)CCC(=O)O 6H6 3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid +[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC 6H8 n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine +CNc1[nH]c2ccc(cc2n1)C(=O)NN 6H9 2-(methylamino)-1h-benzimidazole-5-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N 6HA 1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O 6HB 2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) +C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N 6HC 1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +CNc1[nH]c2ccc(cc2n1)C(=O)N 6HD 2-(methylamino)-1h-benzimidazole-5-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C 6HE 6-methy-6-depropionatehemin +CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C 6HF n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N 6HG 1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O 6HH 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid +CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O 6HI (3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid +Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 6HJ (r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC 6HK methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N 6HL (r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O 6HM [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid +C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N 6HN 6-nitro-l-norleucine +c1cc(cc(c1)F)C(=O)N2CC=CC2 6HO (2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone +CC(C)COC1=CC(=O)N(C(=O)N1C)C 6HP 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione +CC1(C(=O)NC(=O)N1C)C 6HQ 1,5,5-trimethylimidazolidine-2,4-dione +Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO 6HR 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O 6HS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O 6HT 1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC 6HU (2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol +Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3 6HV (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone +Cc1ccccc1c2cc(ccc2C)Nc3nccs3 6HW n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine +Cc1ccc(cc1c2ccccc2Cl)N 6HX 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine +C1=CC(=O)NC=C1C(=O)CCC(=O)O 6HY 4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid +Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 6HZ (2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone +Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4 6I4 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole +CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C 6I7 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole +CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6IA n6-isopentenyl-adenosine-5'-monophosphate +CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC 6IB 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine +C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F 6IC 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2 6ID ~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide +C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl 6IF methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside +CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC 6IG 6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine +COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6IH 4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O 6IK 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N 6IN 4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid +c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F 6IO ~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2 6IP 6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN 6IR 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide +c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl 6IT ~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +CC(=O)NCCNC(=O)C[N+](=O)[O-] 6IU n-(2-acetamidoethyl)-2-nitro-ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C 6IX (2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN 6IY (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate +c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3 6J0 n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine +Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-] 6J1 2,6-dinitro-p-cresol +C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J2 coenzyme f420-0 +Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O 6J3 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J4 coenzyme f420-3 +c1ccc(c(c1)OCc2[nH]nnn2)Cl 6J5 5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O 6J6 (2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O 6J7 2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one +CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O 6J8 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid +c1c[nH]c2c1c(ncn2)N3CCNCC3 6J9 4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine +CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N 6JA 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate +CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O 6JB [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid +Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 6JC 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O 6JD 4-(4-hydroxyphenyl)sulfonylphenol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C 6JE 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide +Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2 6JF 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid +CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3 6JG n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide +c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3 6JH 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O 6JI 5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one +c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3 6JJ 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole +c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O 6JM 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one +C(C(=O)CC(=O)O)C(=O)O 6JN 3-oxopentanedioic acid +c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O 6JO 3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one +COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O 6JP (2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6 6JQ n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide +c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O 6JR 3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one +COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5 6JS 3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO 6JT (3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO 6JU 2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide +CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O 6JV n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CCC1(C(=O)NC(=O)NC1=O)CCBr 6JW 5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C 6JX allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1 6JY n~2~-(benzenecarbonyl)-l-arginine +CCOCCOCCOCCOCCOCC 6JZ 3,6,9,12,15-pentaoxaheptadecane +CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F 6K0 n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl 6K1 n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide +CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N 6K2 2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O 6K3 heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside +CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl 6K4 n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide +c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K5 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6K6 n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate) +c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K7 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1 6K8 n-(benzenecarbonyl)glycyl-l-arginine +C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O 6K9 (1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) +Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F 6KA n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N 6KB 4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O 6KC n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C 6KD n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl 6KE (2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O 6KF (2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name) +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O 6KG nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O 6KH heptyl 3-fluoro-alpha-d-mannopyranoside +[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N 6KJ (5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KK (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC 6KL methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCC(=O)SC[C@@H](C(=O)O)N 6KM s-propanoyl-l-cysteine +Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F 6KN 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole +COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4 6KO [(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate +Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F 6KP 7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole +COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O 6KQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KR (3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F 6KS heptyl 2-fluoro-alpha-d-mannopyranoside +c1cc2c(cc1C(=O)N)sc(n2)N 6KT 2-amino-1,3-benzothiazole-6-carboxamide +CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O 6KU heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N 6KV 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O 6KW heptyl 3-deoxy-alpha-d-mannopyranoside +CC1=C(C(CCC1)(C)C)C=O 6KX beta-cyclocitral +CN(C)[C@@H](CC[Se]C)C(=O)O 6KY (2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid +CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3 6KZ n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide +C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O 6L0 (8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 6L1 5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC 6L2 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide +Cc1cc(c(c(c1)C)C(=O)OC)C 6L3 methyl 2,4,6-trimethylbenzoate +Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl 6L4 ~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N 6L5 (3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name) +CSC(=S)/C=C(/c1cccc(c1)O)\O 6L6 methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N 6L7 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N 6L8 (2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide +C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O 6L9 [(2s)-2,3-diamino-3-oxopropyl]propanedioic acid +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O 6LA methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +CCN1CCOCC1 6LB 4-ethylmorpholine +[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6LC 9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine +C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O 6LD sacubitrilat +c1cc(ccc1[C@@H](CN)O)Cl 6LE (1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol +C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO 6LF 2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol +C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4 6LG (1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate +c1cc(ccc1CN)S(=O)(=O)N 6LH 4-(aminomethyl)benzene-1-sulfonamide +c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl 6LI 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate) +c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4 6LJ 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile +Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C 6LK 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide +O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O 6LL tetrakis-(mu-oxo)-deca-oxo-trimolybdenum +C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O 6LM (3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid +C(CS)S 6LN ethane-1,2-dithiol +CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5 6LO n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide +c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN 6LP n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5 6LQ 2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide +C1COCCN1 6LR morpholine +CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O 6LS heptyl 2-deoxy-alpha-d-mannopyranoside +CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O 6LT 3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide +Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C 6LU 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide +COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N 6LV 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O 6LW (z)-l-arabinonhydroximo-1,4-lactone +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C 6LX n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide +c1cc(ccc1[C@@H](CN)O)Br 6LY (1s)-2-amino-1-(4-bromophenyl)ethan-1-ol +c1cc(ccc1C(=O)CN)F 6LZ 2-amino-1-(4-fluorophenyl)ethan-1-one +O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O 6M0 mo(6)-o(26) cluster +Cc1cccc(c1C(=O)O)N 6M1 2-amino-6-methylbenzoic acid +c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl 6M3 2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile +[B-]1(c2ccccc2CO1)(O)O 6M4 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium +COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6 6M5 (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N 6M6 s-[(2-phenylethyl)carbamothioyl]-l-cysteine +CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N 6M8 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine +B1(c2ccccc2CO1)O 6M9 2,1-benzoxaborol-1(3h)-ol +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MA n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C 6MB 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MC cis-n6-methyl-deoxy-adenosine-5'-monophosphate +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 6MD n-methyladenosine +C[C@H]1CCc2c(c(nc(n2)N)N)C1 6ME (6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6MG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide +CC1=CC=CC(=S)N1O 6MH 1-hydroxy-6-methylpyridine-2(1h)-thione +CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O 6MI 6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine +CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O 6MJ methyl beta-d-xylopyranoside +c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 6MK (2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid +O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S] 6ML oxygen-damaged sf4 +CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C 6MM 6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name) +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O 6MN 2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +[Mo+6] 6MO molybdenum(vi) ion +Cc1c2c(nc[nH]2)ncn1 6MP 6-methylpurine +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C 6MQ methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I 6MR n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan +c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N 6MS [6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MT trans-n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1cc(nc(n1)O)O 6MU 6-methylpyrimidine-2,4-diol +CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O 6MV 4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide +c1cnccc1[C@H]2N[C@H](CS2)C(=O)O 6MW (2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid +c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O 6MX 2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid +c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 6MY (1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6MZ n6-methyladenosine-5'-monophosphate +c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F 6N0 n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide +c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3 6N1 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide +[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3 6N2 n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine +CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O 6N3 (1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid +c1ccc2c(c1)[nH]c(n2)SCCO 6N4 2-(1h-benzimidazol-2-ylsulfanyl)ethanol +CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6N5 ~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +c1cc(sc1)c2nnc(s2)N 6N6 5-(2-thienyl)-1,3,4-thiadiazol-2-amine +c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3 6N8 n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O 6N9 (3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone +CCCCCC(=O)O 6NA hexanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F 6NB n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O 6NC 2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide] +Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 6ND 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 6NE (1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol +c1cnccc1c2cc(n[nH]2)NCC3CCCCC3 6NF n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6NG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N 6NH 2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc2cn[nH]c2cc1[N+](=O)[O-] 6NI 6-nitroindazole +c1ccc(cc1)CCc2c3ccccc3[nH]n2 6NJ 3-(2-phenylethyl)-1h-indazole +c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3 6NK 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide +C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3 6NL (2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one +c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3 6NM 4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine +CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 6NN p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6NO avilamycin +c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6 6NP 6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N 6NQ 2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N 6NR (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F 6NS (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid +c1cc2c(cc1[N+](=O)[O-])[nH]nn2 6NT 6-nitrobenzotriazole +CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F 6NU (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid +CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6NV ~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O 6NW 2'-o-methyl-5'-o-thiophosphonoadenosine +CNC(=O)NC1CCCCC1 6NX 1-cyclohexyl-3-methyl-urea +C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O 6NY 3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide +CCCC1=CC(=CNC1=O)C2CCCCC2 6NZ 5-cyclohexyl-3-propyl-1h-pyridin-2-one +CCCCN1C=CN(C1=[Au]Cl)C 6O0 (1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O 6O1 evernimicin +C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O 6O2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate +Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O 6O3 {[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid +c1cc(oc1)CCC(=O)O 6O5 3-(furan-2-yl)propanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O 6O6 plicamycin, mithramycin analogue mtm sa-trp +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O 6O7 plicamycin, mithramycin analogue mtm sa-phe +CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C 6O8 (4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium +CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C 6O9 (2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate +C(/C=C/C=C(/C(=O)O)\O)O 6OA (2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid +CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O 6OB (8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid +CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O 6OC (8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid +C(=C/C=O)\C=C(/C(=O)O)\N 6OD (2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid +CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC 6OE (2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6OG 6-o-methyl guanosine-5'-monophosphate +C(=C/C=O)\C=C(/C(=O)O)\O 6OH (2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3 6OJ 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO 6OK 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[As](O)O 6OL methylarsonous acid +C/C(=C/CO)/CO 6OM (2z)-2-methylbut-2-ene-1,4-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C 6ON 2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O 6OO 2'-o-methyl-5'-o-thiophosphonocytidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC 6OP 1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione +B1(C=CC=CN1)CC 6OQ 2-ethyl-1,2-dihydro-1,2-azaborinine +c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O 6OR 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid +c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N 6OS neplanocin-a +c1c(cc(cc1Cl)Cl)S(=O)(=O)N 6OT 3,5-dichlorobenzene-1-sulfonamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC 6OU [(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N 6OV 3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide +Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C 6OW 2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O 6OX 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 6OY ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3 6OZ 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole +Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P0 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC 6P1 5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P2 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +c1ccc(cc1)c2ccc(cn2)C(=O)O 6P3 6-phenylpyridine-3-carboxylic acid +Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C 6P4 2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C 6P5 4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole +CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3 6P6 1-(4-phenylazanylquinazolin-7-yl)ethanone +CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3 6P8 ~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6 6P9 [2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) +c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N 6PB 6-(3-bromophenyl)-7h-purin-2-amine +c1ccnc(c1)C(=O)O 6PC pyridine-2-carboxylic acid +c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7 6PD [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone +CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC 6PE 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine +COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C 6PF n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O 6PG 6-phosphogluconic acid +CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O 6PH (1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate +CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O 6PJ cy5.5-peg2 +[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6PK o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C 6PL (4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC 6PM 5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +CCCCCCc1ccc(c(c1)O)Oc2ccccc2 6PN 5-hexyl-2-phenoxyphenol +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6PO 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine +CC/C(=C\Cc1cccc(c1O)O)/C 6PP 3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol +Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC 6PQ 5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O 6PR (s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3 6PS 2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole +CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O 6PT 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid +CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F 6PU (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine +COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5 6PV 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide +Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO 6PW 1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol +[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N 6PX methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O 6PY 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon ic acid +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O 6PZ 5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3 6Q0 ~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide +CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4 6Q1 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one +COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4 6Q2 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one +Cc1cc(nc(n1)N)OCCCO 6Q3 3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol +CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F 6Q4 n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 6Q5 ursolic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C 6Q6 (3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one +CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O 6Q7 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid +Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3 6Q8 ~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide +Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2 6Q9 ~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide +C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O 6QA ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate +Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl 6QB 1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 6QC ~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O 6QD 5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid +Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C 6QE ~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide +c1ccc2c(c1)nc3cccc(c3n2)O 6QF phenazin-1-ol +Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4 6QG 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione +COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3 6QH 5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide +Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QJ (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone +COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC 6QK 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid +COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC 6QL 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid +CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC 6QM 4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol +CCNC(=O)C1=C(c2ccncc2NC1=O)O 6QN ~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QO (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F 6QP 2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide +[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O 6QQ 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3 6QR (2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C 6QS [(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate +c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O 6QT (2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F 6QU [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] 6QV (4-nitrophenoxy)-phenyl-phosphinic acid +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3 6QW ~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide +CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4 6QX ~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 6QY ~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine +CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6QZ (3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6R0 (3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5 6R1 ~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C 6R2 [bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid +C=CC(=O)C(=C)N 6R3 2-azanylpenta-1,4-dien-3-one +CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 6R4 methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate +Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C 6R5 methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate +c1cc(c(cc1[N+](=O)[O-])C(=O)O)N 6R6 5-nitroanthranilic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)O 6R7 5-nitrosalicylic acid +C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-] 6R8 (6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid +CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6R9 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3 6RB 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6 6RC 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine +Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6 6RD 5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N 6RE [[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium +C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N 6RF 4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N 6RG 2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine +c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O 6RH 4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid +c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F 6RI n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide +c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl 6RJ 4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide +C1CC(CCC1C(=O)O)N 6RK 4-azanylcyclohexane-1-carboxylic acid +CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N 6RL 2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO 6RM 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +COc1ccc(cc1)NCc2ccccn2 6RN 4-methoxy-n-[(pyridin-2-yl)methyl]aniline +CS(=O)(=O)Nc1ccc(cc1)Cl 6RO ~{n}-(4-chlorophenyl)methanesulfonamide +c1cnn(c1)C(C(=O)O)n2cccn2 6RP bis(pyrzol-1-yl)acetate scorpionate +Cc1cc2c(cc1C)nc([nH]2)N 6RQ 5,6-dimethyl-1~{h}-benzimidazol-2-amine +Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2 6RR ~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3 6RS ~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine +c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5 6RT 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine +CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3 6RU ~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F 6RV (1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C 6RW 2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine +CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O 6RX (5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3 6RY ~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C 6RZ 2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2 6S0 2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine +c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N 6S1 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O 6S2 methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside +Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C 6S3 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide +CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 6S4 (3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4 6S5 (s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide +C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O 6S6 (1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3 6S7 2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 6S8 (~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide +Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4 6S9 1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO 6SA acarbose derived hexasaccharide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 6SB taurodeoxycholate +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4 6SC 3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COc1ccc(cc1)c2cc([nH]n2)N 6SD 3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine +[SeH][Se][SeH] 6SE triselane +c1cc(c(cc1OCCN)Cl)Cl 6SF 2-[3,4-bis(chloranyl)phenoxy]ethanamine +C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N 6SG s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N 6SH 5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 6SJ 2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid +CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N 6SK (3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1ccc2c(c1)[nH]c(n2)c3cccnc3 6SL 2-pyridin-3-yl-1~{h}-benzimidazole +c1c(c(ncn1)C(=O)O)Cl 6SM 5-chloranylpyrimidine-4-carboxylic acid +c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl 6SN 5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine +c1cc2c(cc1Cl)c(c[nH]2)CCN 6SO 2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine +C1CNC[C@H]1O 6SP (3s)-pyrrolidin-3-ol +CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl 6SQ 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone +c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2 6SR 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one +CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C 6SS (3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7 6ST 4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid +COC(=O)c1cccc(c1)NS(=O)(=O)C 6SU methyl 3-(methylsulfonylamino)benzoate +C1CCC(CC1)NC(=O)NC[C@H]2CCCO2 6SV 1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O 6SW inosine-3',5'-cyclic monophosphate +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SX purine riboside-3',5'-cyclic monophosphate +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O 6SY uridine-3',5'-cyclic monophosphate +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SZ 2-aminopurine riboside-3',5'-cyclic monophosphate +CC(C)Cn1cnc2c1c3ccccc3nc2N 6T0 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine +c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl 6T1 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide +CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N 6T2 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine +c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5 6T3 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene +Cc1csc(n1)NC(=O)C 6T4 ~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide +CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C 6T5 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one +C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4 6T6 (2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine +c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O 6T7 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid +[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6T8 n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide +CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F 6T9 5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide +CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3 6TA ~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C 6TB 4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide +CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5 6TC ~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide +COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4 6TD 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole +CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C 6TE ~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O 6TF n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide +Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4 6TG (2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO 6TH (2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O 6TJ 3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6 6TL 5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide +c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl 6TM 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C 6TN [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone +c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O 6TO (3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC 6TP 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl 6TS [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F 6TT ~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide +COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C 6TU (1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid +CCCNCCNS(=O)(=O)c1cccc2c1ccnc2 6TV ~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide +CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3 6TW [(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium +C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 6TY 5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline +c1cc(cc(c1)F)c2cc[nH]n2 6TZ 3-(3-fluorophenyl)-1h-pyrazole +c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6U0 [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4 6U1 2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 6U2 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5 6U3 2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 6U4 [[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C 6U5 ~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide +c1cc2c(cc1Cl)nc(s2)CCC(=O)O 6U6 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid +Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4 6U7 6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine +CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br 6U8 (2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile +CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC 6U9 nimodipine +C1C(=NC(=O)NC1=O)N 6UA 6-aminopyrimidine-2,4(3h,5h)-dione +CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN 6UB amlodipine +CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C 6UC o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O 6UD 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid +Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5 6UE 1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea +c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4 6UF ~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide +Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F 6UG 2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide +Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UH 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4 6UI 4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4 6UJ 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea +Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UK 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC 6UL tetracosyl palmitate +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3 6UM 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea +C(=C/C(=O)C(=O)O)\C=C\O 6UN (3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3 6UO 2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate +[H]/N=C(\c1ccc2cccc(c2c1)N)/N 6UP 8-aminonaphthalene-2-carboximidamide +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6UQ (2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6UR [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6US [(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid +CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O 6UT [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O 6UU [2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O 6UV (2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F 6UW 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N 6UX 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea +c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N 6UY [(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6UZ omega-undecylenyl-beta-d-maltopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N 6V0 [[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N 6V1 (2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6V2 (2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide +CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6 6V3 1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V4 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V5 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC 6V6 [(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate +B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O 6V7 [(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid +B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O 6V8 [(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid +Cc1ncc(s1)C(=O)O 6V9 2-methyl-1,3-thiazole-5-carboxylic acid +CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O 6VA (3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O 6VB bromo-trisulfonatocalix[4]arene +CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O 6VC ~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide +CCc1cc(c2ccccc2n1)O 6VD 2-ethyl-4(1h)-quinolinone +c1cc(ccc1C[C@@H]([C@H](CO)O)N)O 6VF (2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 6VG ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate +C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O 6VH (1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O 6VJ phenyl-trisulfonatocalix[4]arene +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5 6VK (4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4 6VL (4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4 6VM (4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O 6VN 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid +CC(C)C[C@@H]([C@H](C(C)(C)O)O)N 6VO (3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol +c1cc(c(cc1[N+](=O)[O-])C#N)O 6VP 5-nitro-2-oxidanyl-benzenecarbonitrile +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O 6VQ [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C 6VR 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C 6VS 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC 6VU 1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide +C1C[C@H]([C@@H](C1)O)O 6VV (1~{r},2~{r})-cyclopentane-1,2-diol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 6VW (8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one +c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O 6VX (1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid +c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O 6VY (1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid +CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3 6VZ (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC 6W0 ~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5 6W1 4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +COc1ccc(cc1)S(=O)(=O)Nc2nccs2 6W2 4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C 6W3 4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6 6W4 (2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O 6W5 [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate +c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl 6W6 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O 6W7 [(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N 6W8 [(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 6W9 2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O 6WA 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid +c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O 6WB 2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O 6WC [2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid +C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F 6WD (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F 6WE (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 6WF 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene +c1ccc(cc1)[C@H]2CCCCN2C=O 6WG (2~{r})-2-phenylpiperidine-1-carbaldehyde +COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6 6WH (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N 6WI 3-(guanosine-5'-diphospho)-d-glycerate +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O 6WJ 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione +C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S 6WK (2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid +Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 6WL 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O 6WM (8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O 6WN (8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one +O=[W+4] 6WO oxo-tungsten(vi) +c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 6WP naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O 6WQ 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol +c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O 6WR (1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl 6WS 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene +c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl 6WT 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene +C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F 6WU (1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O 6WV (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O 6WW (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WX 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WY 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione +C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WZ 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC 6X0 4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl 6X1 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid +CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6X2 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C 6X3 4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O 6X4 [6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium +CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5 6X5 ~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +COc1cccc(c1OC)C(=O)O 6X6 2,3-dimethoxybenzoic acid +Cc1cc(cc(c1C(=O)O)O)O 6X7 2,4-dihydroxy-6-methyl benzoic acid +c1ccc(c(c1)O)I 6X8 2-iodanylphenol +CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C 6X9 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C(CCC(=O)NO)CCN 6XA 6-amino-n-hydroxyhexanamide +CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1 6XB 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone +CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3 6XC 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 6XD 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea +c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F 6XE 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O 6XF ~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide +CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1 6XH 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone +c1ccn(c1)c2ccsc2C(=O)O 6XI 3-pyrrol-1-ylthiophene-2-carboxylic acid +CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N 6XJ (3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide +CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 6XK ~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO 6XL 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one +c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8 6XM 8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate +C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F 6XN ~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide +CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O 6XO (2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl 6XP (2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide +Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC 6XQ (3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid +c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O 6XR (4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F 6XS 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4 6XT ~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F 6XU (2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid +c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4 6XV 4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N 6XW 5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC 6XX 8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br 6XY bromopromazine +COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O 6XZ 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one +CCCCC1=CC(=O)Oc2c1ccc(c2O)O 6Y0 4-butyl-7,8-bis(oxidanyl)chromen-2-one +c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH] 6Y1 ~{n}-(1-adamantyl)-2-selanyl-benzamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O 6Y2 ~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide +c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH] 6Y3 ~{n}-(4-aminophenyl)-2-selanyl-benzamide +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO 6Y4 [2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol +C(CC(=O)C(=O)O)CF 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC 6Y6 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto -non-2-enonic acid +CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O 6Y7 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F 6Y8 (6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole +C[C@@]1(CCCN1C)C(=O)O 6Y9 (2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid +CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl 6YA 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one +[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6YB (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid +COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2 6YC ~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide +Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C 6YD ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide +Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4 6YE ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F 6YF n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide +COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 6YG 2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one +c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N 6YH 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide +C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O 6YJ (2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid +CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C 6YK (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid +Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F 6YL 2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide +c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F 6YN ~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine +CCCCc1ccc(cc1)S(=O)(=O)N 6YP 4-butylbenzenesulfonamide +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N 6YQ 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O 6YR methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside +c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F 6YS (1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O 6YT n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C 6YU fad-mdl72527 adduct +B(c1ccccc1/C=C/C(=O)O)(O)O 6YV (~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YW [oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YX [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YY bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N 6YZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid +[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 6Z0 n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 6Z1 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C 6Z2 7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O 6Z3 (2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 6Z4 (3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C 6Z5 5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one +COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N 6Z6 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile +COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4 6Z7 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C 6Z8 8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione +c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 6Z9 3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N 6ZA 2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N 6ZB n-hydroxy-l-tryptophanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O 6ZC 4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N 6ZD 5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine +CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C 6ZE 2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3 6ZF 7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine +Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3 6ZG ~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N 6ZH [[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium +c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F 6ZI 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide +C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O 6ZJ iron(iii) dicitrate +c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N 6ZK 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide +CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 6ZL 2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1 6ZM 1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one +c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6 6ZN 6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one +c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2 6ZO (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4 6ZP 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile +CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F 6ZQ 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one +C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 6ZR (3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +CC[C@@](C)(C(=O)O)N 6ZS l-isovaline +Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl 6ZT (4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3 6ZU 3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate +CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F 6ZV n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine +CCN(CC)c1ccc2c(c1)OC(=O)C=C2C 6ZW 7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one +C/C(=C\C(=O)O)/c1ccc(cc1)Cl 6ZX (e)-3-(4-chlorophenyl)but-2-enoic acid +Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C 6ZY 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5 6ZZ 7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl 700 [5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl 701 (2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide +c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O 702 (1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid +c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5 703 5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one +C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 704 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 705 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C 706 n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide +COc1ccc(cc1Br)C(=O)NCCC(=O)O 707 n-(3-bromo-4-methoxybenzoyl)-beta-alanine +CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 708 3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N 709 n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C 70A (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O 70B bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C 70C 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C 70D 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid +CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O 70E 6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose +Cc1cccc2c1[C@H](CCC2)CCC(=O)O 70G 3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid +Cc1cccc2c1c(ccc2)/C=C/CC(=O)O 70H (3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid +CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O 70J 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5 70K 6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 70L 1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide +c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N 70M 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile +CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F 70N [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C 70O 3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide +C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C 70P (4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one +CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4 70Q 3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O 70R (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid +c1cc2c(cc1N)c[nH]n2 70S 2h-indazol-5-amine +Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] 70T 2-methyl-5-nitro-1h-indole +COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 70U 5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate +CC1C(=O)CCCC1=O 70V 2-methylcyclohexane-1,3-dione +CC(C)(C)OC(=O)N1CCC(CC1)N 70W tert-butyl 4-aminopiperidine-1-carboxylate +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C 70X n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C 70Y (2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one +CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4 70Z ~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO 710 (5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol +Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C 711 7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N 712 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C 713 n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide +CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 714 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N 715 (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl 716 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide +c1csc2n1cc(n2)CO 717 imidazo[2,1-b][1,3]thiazol-6-ylmethanol +c1cc2c(cc1O)CCCC2=O 718 6-hydroxy-3,4-dihydronaphthalen-1(2h)-one +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F 719 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1cc(cnc1)O 71A pyridin-3-ol +COc1ccc(cc1F)N 71B 3-fluoro-4-methoxyaniline +c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O 71C 5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N 71D (2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de +CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O 71E dz 2384 +COc1ccccc1C(=O)O 71F 2-methoxybenzoic acid +c1cc(cc(c1)N)C#N 71G 3-aminobenzonitrile +CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F 71H ~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide +CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 71I (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol +C1CC(CCC1O)O 71J trans-cyclohexane-1,4-diol +Cc1c(cccc1N)N 71K 2-methylbenzene-1,3-diamine +Cc1cc(nc(c1)N)C 71L 4,6-dimethylpyridin-2-amine +Cc1cccc(n1)N 71M 6-methylpyridin-2-amine +c1cc2c(cc1N)nc([nH]2)C(F)(F)F 71N 2-(trifluoromethyl)-1h-benzimidazol-5-amine +c1cnc(nc1)O 71O pyrimidin-2-ol +CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC 71P ~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F 71Q n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O 71R dihydrostreptomycin +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN 71S 6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine +COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4 71T 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN 71U (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N 71V [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 71W (1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C 71X ~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C 71Y ~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide +CCCn1cc(nc1)C[C@H](CCCN)C(=O)O 720 (2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid +CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 721 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium +CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 722 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium +c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O 723 (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid +C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC 724 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione +CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N 725 6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N 726 6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4 727 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione +c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 728 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 729 n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS 72B [(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C 72C 4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N 72D 4-(phenyl)-benzenesulfonamide +Cc1ccccc1c2ccc(cc2)S(=O)(=O)N 72E 4-(2-methylphenyl)-benzenesulfonamide +Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F 72F n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide +c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O 72G 4-(3-formylphenyl)-benzenesulfonamide +c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N 72H 4-(3-quinolinyl)-benzenesulfonamide +I[Hg-2](I)(I)I 72I tetraiodomercurate(2-) +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO 72J 7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp +Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5 72K 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N 72L 4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide +Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 72M ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide +Cc1nnc(n1c2ccccc2)C3CC3 72N 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole +Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3 72O 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole +Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O 72P 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid +CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N 72Q 3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1cc2c(cc1F)C(=O)C(=O)N2 72R 5-fluoranyl-1~{h}-indole-2,3-dione +Cc1cccc2c1NC(=O)C2=O 72S 7-methyl-1~{h}-indole-2,3-dione +c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O 72T 7-(trifluoromethyl)-1~{h}-indole-2,3-dione +COC(=O)c1cccc2c1NC(=O)C2=O 72U methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate +CN1c2ccccc2C(=O)C1=O 72V 1-methylindole-2,3-dione +CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 72W ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide +CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O 72X (3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N 72Y 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N 730 (s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide +Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4 731 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl 732 5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide +Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl 733 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide +c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl 734 5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O 735 2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid +CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl 736 (11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C 737 n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide +c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F 738 n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide +CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N 739 2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone +CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N 73A (2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl 73B 4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid +CCCCOC[C@@H](C(=O)O)N 73C (2~{s})-2-azanyl-3-butoxy-propanoic acid +CCN1c2ccccc2C(=O)C1=O 73D 1-ethylindole-2,3-dione +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 73E (1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol +c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O 73F 1-(2-phenylethyl)indole-2,3-dione +CCCCOC(=O)CN1c2ccccc2C(=O)C1=O 73G butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate +c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F 73H 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O 73I (1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F 73J ~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4 73K n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O 73L 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione +N[Pt](N)(O)Cl 73M bis(azanyl)-chloranyl-oxidanyl-platinum +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O 73N (2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid +c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O (2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid +C(CCN)C[C@@H](C(=O)O)NC(=O)O 73P (2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid +Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O 73Q 6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one +CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C 73R (3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5 73S 2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide +Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F 73T 6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide +Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC 73U 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3 73V benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O 73W 5'-o-[(dithiophosphono)]cytidine +c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl 73X 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br 73Y 6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N 73Z 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5 740 n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide +Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC 741 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile +CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O 742 (2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium +CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C 743 (1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile +Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl 744 (3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N 745 trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C 746 4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide +CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O 747 (5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5 748 n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide +CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C 749 [(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C 74A n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F 74B (4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +[CH3] 74C methyl radical +Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC 74D 1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N 74E 2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5 74F 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine +C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 74G 4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium +Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5 74H 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5 74J 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5 74K 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5 74L 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC 74M methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5 74N 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide +Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5 74O 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine +CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O 74P (e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine +Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6 74Q 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7 74S 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7 74T (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate +c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4 74U n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine +CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C 74V n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74W 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74X 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea +Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3 74Y (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone +c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4 74Z n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6 750 5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide +COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC 751 2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine +c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O 752 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC 753 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid +CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C 754 (2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid +CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl 755 4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid +Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4 756 [(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone +CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 757 5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid +CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl 758 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C 759 (2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N 75A n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 75B 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O 75C 5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C 75D 2,4,6-tri(propan-2-yl)benzenesulfonic acid +c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4 75F (4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N 75G (2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one +CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 75H n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N 75J 2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +Cc1nc2c(o1)C=C(OC2=O)C 75K 2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C 75L 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N 75M 4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C 75N 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O 75O 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid +COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4 75P 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine +Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75Q 1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C 75R 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75S 1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4 75T 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine +CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3 75U ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 75V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine +[H]/N=N/c1ccc(cc1)S(=O)(=O)N 75W 4-[(e)-diazenyl]benzene-1-sulfonamide +Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 75X 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol +c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N 75Y 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F 75Z n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4 760 9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine +c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O 761 3-(oxalyl-amino)-naphthalene-2-carboxylic acid +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl 762 3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F 763 5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N 765 5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F 766 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC 767 n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine +[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4 768 (2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F 769 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide +c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O 76A 3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide +Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 76B 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide +Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N 76C 2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C 76D 2,4,6-tri(propan-2-yl)benzoic acid +c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F 76E 2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide +CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC 76F (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F 76G 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide +CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76H [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium +CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76J [(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N 76K [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium +C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 76L [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium +CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76M [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium +c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 76O [(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium +CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-] 76P ~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine +Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C 76Q 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C 76R [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F 76S 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide +c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5 76T 5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O 76U (4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 76V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine +c1cc(c(nc1)N)N 76X pyridine-2,3-diamine +c1ccc(c(c1)Cn2cccc2C(=O)N)Cl 76Y 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide +CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O 76Z 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide +c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl 770 n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide +COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N 771 4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine +c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N 772 2-cyanoquinolin-8-yl dihydrogen phosphate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C 773 cethromycin +c1cc(nc-2c1OCCc3c2scc3)C(=O)N 774 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide +CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1 775 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O 777 [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid +c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N 778 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4 779 1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea +C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl 77A 1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4 77B benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl 77C 2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile +CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C 77D 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O 77E (4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O 77F n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F 77G n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F 77H n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O 77I (1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO 77J n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide +Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F 77K 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F 77L 5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F 77M n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F 77N n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(oc1)CNc2cncc(n2)Cl 77O 6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F 77P n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F 77Q 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F 77R 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide +c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 77S n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O 77T 2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O 77U 2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5 77V n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine +C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O 77W (2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid +CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1 77X 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one +c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 77Y 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 77Z 2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 780 3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +CCC(=O)Nc1ccc2c(c1)cccc2O 781 n-(5-hydroxynaphthalen-2-yl)propanamide +CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O 782 (2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid +COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4 783 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N 784 [amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F 785 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate +C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O 786 (2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide +c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O 787 (phenyl-phosphono-methyl)-phosphonic acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5 788 n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O 789 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3 78A n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline +CCOC(=O)c1ccc(cc1)CN 78B ethyl 4-(aminomethyl)benzoate +c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3 78C cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate +C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O 78D (6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid +CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O 78E 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC 78F (2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid +COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N 78G 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N 78H 7,8-dihydropteroate +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4 78J (3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one +COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78K (2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 78L ~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide +CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 78M (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 78N (2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2 78O (2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid +C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 78P (2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium +C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O 78Q (2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid +C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC 78R 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C 78S (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +OP(=O)[O-] 78T oxidanylphosphinate +C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N 78U (betas)-beta-methyl-l-tryptophan +COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78V 4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one +CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F 78W 2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC 78X 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +Cc1c(nn(n1)c2ccccc2)C(=O)N 78Y 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F 78Z 2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1cc2c(c(c1)OP(=O)(O)O)NCCC2 790 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate +c1ccc(cc1)C(C(=O)O)C(=O)O 791 2-phenylmalonic acid +CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O 792 n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan +C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3 793 3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione +c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O 794 2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid +c1cc(cnc1)c2nc(cs2)C=O 795 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde +CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN 796 n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide +c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O 797 3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol +c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4 798 {4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone +Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N 799 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide +CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N 79A 3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 79B 11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N 79D 4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 79E jc96 +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O 79F (2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid +CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC 79G (4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C 79H 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N 79I 3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C 79J 4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl 79K vercirnon +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O 79L (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 79M (2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 79N (2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl 79O 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O 79P (2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 79Q 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C 79R (~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C 79S (2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide +CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N 79T 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide +CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F 79U 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid +c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F 79V (2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile +c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O 79W 3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde +COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O 79X 2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4 79Y n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4 79Z 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5 7A0 [(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4 7A1 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide +C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O 7A2 3-c-carboxy-2-deoxy-l-threo-pentaric acid +C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O 7A3 3-c-carboxy-2-deoxy-d-erythro-pentaric acid +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O 7A4 [(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid +C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F 7A5 (8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O 7A6 (2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol +[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC 7A7 methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=CC[C@@H](CC1)N(C)C 7A8 (1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine +c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5 7A9 palonosetron +COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl 7AA methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C 7AB (2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde +Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN 7AC 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile +CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N 7AD 9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5 7AE n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 7AF ~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3 7AG ~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide +c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F 7AH 2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O 7AI (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl 7AJ 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O 7AK (+)-discodermolide +C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl 7AL chlorolissoclimide +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O 7AM [[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid +CC(=O)NCCc1c[nH]c2c1cccc2 7AN ~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O 7AO [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate +C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O 7AP (1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol +c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl 7AR (2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid +[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F 7AS 4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide +c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N 7AT 1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5 7AU (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol +CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl 7AV {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone +CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3 7AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N 7AX 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N 7AY 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O 7AZ phosphonato-calix[6]arene +C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N 7B0 (2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid +c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N 7B1 n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide +Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C 7B2 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde +Cc1c2cnnc(c2c(n1C)C)OC 7B3 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +Cc1c2cnnc(c2c(n1C)C)Cl 7B4 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C 7B5 methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate +C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O 7B6 (2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 7B7 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N 7B8 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O 7B9 [5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC 7BA combretastatin a4 +C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N 7BB trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid +C=CC(=O)OCCC(=O)O 7BC 3-(acryloyloxy)propanoic acid +c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O 7BD 3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid +CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C 7BE (2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid +c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5 7BF 5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 7BG 2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium +Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3 7BH 6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine +c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F 7BJ 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione +C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7BK 2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C 7BL (4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BN (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BO (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F 7BP 5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7BQ (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F 7BR 2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C 7BS (4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside +COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 7BT (~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide +c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F 7BU [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc +c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O 7BV (4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C 7BW 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile +c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N 7BX 3-cyano-~{n}-cyclopropyl-benzenesulfonamide +CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC 7BY n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide +BN(C)C 7BZ n,n-dimethylboranamine +c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O 7C0 (1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate +[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N 7C1 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide +CCCCC[C@H](CCCCCN)OC(=O)O 7C2 (6r)-1-aminoundecan-6-yl hydrogen carbonate +C(CCN)CC(=O)C(=O)O 7C3 6-azanyl-2-oxidanylidene-hexanoic acid +CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O 7C4 (2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide +c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7C5 5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine +C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C 7C6 (3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7C7 n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7C8 [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate +COC[C@@H](C(=O)O)N 7C9 o-methyl-l-serine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O 7CA 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +c1cc2cnccc2c(c1)S(=O)(=O)N 7CB isoquinoline-5-sulfonamide +CCN(CC)C(=O)C[C@@H](C(=O)O)N 7CC n,n-diethyl-l-asparagine +c1ccc2c(c1)cccc2CN 7CD 1-(naphthalen-1-yl)methanamine +COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2 7CE n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7CF [3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br 7CG 2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 7CH (2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N 7CI 7-cyano-7-deazainosine +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F 7CJ 3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O 7CK 7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +CCCCCCl 7CL 1-chloropentane +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F 7CM 3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br 7CN 3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F 7CO 2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C 7CP (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br 7CQ 5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide +c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2 7CR [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4 7CS (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate +CNS(=O)(=O)c1cccc2c1ccnc2 7CT ~{n}-methylisoquinoline-5-sulfonamide +C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N 7CU 5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O 7CV 6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose +C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C 7CW [3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N 7CY (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol +C1=CC=C(C(=S)C=C1)O 7CZ 2-hydroxycyclohepta-2,4,6-triene-1-thione +c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO 7D0 (1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol +C1CO[C@@H]([C@H]([C@@H]1O)O)CO 7D1 1,5-anhydro-2-deoxy-d-arabino-hexitol +C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO 7D2 (1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N 7D3 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N 7D4 [[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N 7D5 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate +CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O 7D6 (s)-orteronel +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N 7D7 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol +C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO 7D8 (1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C 7D9 (16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid +c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7DA 7-deaza-2'-deoxyadenosine-5'-monophosphate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7DB (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DC 4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 7DD 7-deazaadenosine-5'-diphosphate +CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C 7DE 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester +CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7DF dihydropentalenolactone f +C1C=NC2=C1C(=O)NC(=N2)N 7DG 7-deazaguanine +C(C=CC(=O)C(=O)O)O 7DH (3e)-5-hydroxy-2-oxopent-3-enoic acid +[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 7DI pf-07321332, bound form +C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O 7DJ n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DK methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DL ((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O 7DM 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid +Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O 7DN 2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid +CC(=O)NCCc1ccc(c(c1)O)O 7DP ~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N 7DQ 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3 7DR 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DS methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 7DT 7-deazaadenosine-5'-triphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DU (2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide +Cc1cc(ccc1O)O 7DV 2-methylbenzene-1,4-diol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O 7DW 11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O 7DX (2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid +C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F 7DY n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 7DZ (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C 7E0 trichothecene +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O 7E1 6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O 7E3 5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 7E4 11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O 7E5 (2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid +Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C 7E7 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine +CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 7E8 (2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +CCCCCC/C=C\CCCCCC(=O)OC(CO)CO 7E9 1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate +Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC 7EA 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine +CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7EB 4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O 7EC 4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O 7ED 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O 7EE (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol +CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C 7EF 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O 7EG 2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol +Cn1c2c(cc(cn2)c3ccccc3)nc1N 7EH 3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7EI (1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4 7EJ 1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC 7EK 5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O 7EL 2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol +c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O 7EM 4,4',4''-(thiene-2,3,5-triyl)triphenol +c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O 7EN (1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O 7EO 2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 7EP (2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O 7EQ 2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O 7ER 3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O 7ES 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7ET 3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O 7EV 5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +C1CC[C@H]2[C@@H](C1)O2 7EX (1r,6s)-7-oxabicyclo[4.1.0]heptane +Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O 7EY 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid +CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O 7EZ (4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5 7F1 (2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide +CCCCCC[C@H](CO)O 7F2 (2r)-octane-1,2-diol +c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N 7F3 (1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine +C1CCNC(=O)[C@@H](C1)N 7F4 (3~{r})-3-azanylazepan-2-one +Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F 7F5 3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O 7F6 (1r,2r)-1,2-diphenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O 7F7 [6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O 7F9 ~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide +CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F 7FA methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate +CCCC[C@H](CO)O 7FB (2r)-hexane-1,2-diol +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O 7FC 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid +CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O 7FD ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl 7FE ~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide +COC(=O)N1CCCc2c1ccc(c2)N 7FF methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate +CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 7FG ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate +C1=CC(=S)N(C=C1C(F)(F)F)O 7FH 1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione +c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 7FJ 4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol +CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O 7FK 15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione +c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O 7FL 4,4'-(cycloheptylidenemethylene)diphenol +CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F 7FM 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one +c1cc(oc1C(=O)O)C(=O)O 7FN 2,5 furan dicarboxylic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O 7FO 4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7FP 4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O 7FQ (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol +CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FR (9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol +CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FS (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4 7FT 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine +c1cc2c(cc1C(=O)NN)sc(n2)NN 7FU 2-hydrazino-1,3-benzothiazole-6-carbohydrazide +Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C 7FV [2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone +CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O 7FW ~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide +c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F 7FX [2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3 7FY ~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide +Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O 7FZ (1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O 7G0 (1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O 7G1 (1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol +c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O 7G2 3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O 7G3 3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91 7G4 ruthenocene +c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O 7G5 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione +CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 7G6 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO 7G7 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F 7G8 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F 7G9 ~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide +C[C@@H](CC(C)C)C(=O)O 7GA 2,4-dimethylpentanal +C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5 7GB 6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2 7GC 4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide +c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N 7GD 7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl 7GE pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-) +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN 7GF methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate +CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3 7GG 6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine +C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C 7GI repotrectinib +CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 7GJ 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide +c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4 7GK 2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C 7GL 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC 7GM (3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine +CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 7GP n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N 7GQ n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O 7GR (2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid +CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O 7GS {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5 7GT {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7GU 7-deaza-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4 7GV {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone +C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O 7GW (2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O 7GX 6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O 7GY 6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O 7GZ 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C 7H0 7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 7H1 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide +CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N 7H2 (1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile +c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F 7H3 n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide +CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2 7H4 1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 7H5 (3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C 7H6 (1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid +Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C 7H7 (1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7H8 1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C 7H9 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC 7HA n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl 7HC (2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl 7HD 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole +Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C 7HE 7-methyl-7-depropionatehemin +CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C 7HF 1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea +C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC 7HG 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O 7HH n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine +CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4 7HI (3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4 7HJ n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide +COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4 7HK methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O 7HL 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid +c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O 7HM 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 7HN 3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid +c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O 7HO 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid +c1c2c(c(ncn2)O)[nH]n1 7HP 7-hydroxy-pyrazolo[4,3-d]pyrimidine +c1ccc2c(c1)ncn2CO 7HQ benzimidazol-1-ylmethanol +CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F 7HR ~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C 7HS (s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide +Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C 7HT 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C 7HU 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl 7HV 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid +CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O 7HW (4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid +c1c[nH]c2c1c(ncn2)O 7HX 7h-pyrrolo[2,3-d]pyrimidin-4-ol +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7HY n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3 7HZ n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F 7I0 (2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5 7I1 3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide +c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N 7I2 7-nitroindazole-2-carboxamidine +c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7I5 (2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid +CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N 7I6 1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O 7I9 (1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O 7IA [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N 7ID (2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid +c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl 7IE flupyradifurone +COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F 7IF n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F 7IG 5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine +CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4 7IH n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide +CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C 7II sulfoxaflor +C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C 7IK (7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one +C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O 7IM n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N 7IN n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide +COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N 7IP 6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine +C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O 7IQ (5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6 7IZ 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4 7J0 (2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4 7J1 (2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name) +Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C 7J2 (4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one +C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N 7J3 (2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid +CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N 7J4 n-tert-butoxy-l-asparagine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N 7J5 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide +C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7J6 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone +Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 7J8 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O 7J9 6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid +CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O 7JA n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O 7JB ~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C 7JC 1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide +c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F 7JD 6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 7JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F 7JF 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F 7JG 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O 7JH 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl 7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione +c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F 7JJ 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C 7JK 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one +c1c(cc(c2c1C(=O)NC=N2)O)Br 7JL 6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O 7JM 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O 7JN 4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide +C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F 7JO n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F 7JP 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one +c1cc(ccc1c2cc3cncnc3c(c2)O)F 7JQ 6-(4-fluorophenyl)quinazolin-8-ol +CN1C=C(C=C(C1=O)O)c2ccccc2 7JR 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one +c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F 7JS 6-(4-fluorophenyl)quinolin-8-ol +c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2 7JT (3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F 7JU 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O 7JV 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one +c1cc(ccc1c2cc3c(c(c2)O)nccn3)F 7JW 7-(4-fluorophenyl)quinoxalin-5-ol +c1c2cc(cnc2c(cc1Br)O)Cl 7JX 6-bromanyl-3-chloranyl-quinolin-8-ol +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O 7JY 7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O 7JZ 2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O 7K0 (2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid +Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6 7K1 1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7K2 [(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O 7K3 1-thio-alpha-d-mannopyranose +C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7K4 2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O 7K6 7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3 7K7 5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline +C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 7K8 [(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O 7K9 n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) +C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N 7KA 4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline +Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C 7KC pf-3758309 +CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F 7KD ~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1cc(ccc1c2nc(on2)CCCO)Cl 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol +Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O 7KF 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one +Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O 7KG 6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one +[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 7KH ~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine +Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2 7KJ (7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl 7KK 4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O 7KL 3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3 7KM 4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4 7KN [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide +c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl 7KO 6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 7KP (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KQ (5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KR (11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6 7KS (5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +Cc1cc(c(c(c1)C)S(=O)(=O)NC)C 7KT ~{n},2,4,6-tetramethylbenzenesulfonamide +CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2 7KU 1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3 7KV 1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one +c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4 7KW n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine +CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2 7KX n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O 7KY methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate +CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 7KZ n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine +CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C 7L0 n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O 7L1 s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C 7L2 [[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C 7L3 (5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide +c1ccc(cc1)c2cc(c3ccccc3n2)O 7L4 2-phenylquinolin-4-ol +Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl 7L5 2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC 7L6 6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N 7L7 methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7 7L8 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O 7L9 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid +C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC 7LB (e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine +CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C 7LD (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide +CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7LE (5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid +Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F 7LF 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C 7LG (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid +c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O 7LH (1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid +CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3 7LI (5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione +Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4 7LK 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O 7LL 2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O 7LM n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide +c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N 7LN n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC 7LO [[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O 7LP (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide +C1C=C[C@H]([C@@H]([C@H]1CO)O)O 7LQ (1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol +CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7LR n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide +c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 7LS 2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl 7LT (5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O 7LU 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one +CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl 7LV 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C 7LW (5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone +CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2 7LX (2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid +c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5 7LY 2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O 7LZ (3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one +c1c2c(cc(c1Br)Br)nn[nH]2 7M0 5,6-dibromobenzotriazole +c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O 7M1 phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4 7M2 (4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline +CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N 7M3 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7M4 6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4 7M5 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline +c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF 7M6 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide +c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O 7M7 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C 7M8 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O 7M9 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol +CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C 7MA n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide +CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O 7MB agelastatin a +CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7MC 5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N 7MD 5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine +C[C@H]1CCc2c(nc(nc2N)N)C1 7ME (7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br 7MF [(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7MG 7n-methyl-8-hydroguanosine-5'-monophosphate +CC1=CC(=S)N(C(=C1)C)O 7MH 1-hydroxy-4,6-dimethylpyridine-2(1h)-thione +C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C 7MI methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4 7MJ 3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide +c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+] 7MK [(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O 7ML [(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8 7MM methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate +CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O 7MN (z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium +Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F 7MP 7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C 7MQ menaquinone-7 (altered) +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N 7MR (2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide +CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7MS (5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid +c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9 7MT tb-xo4 +CNC(=O)c1cc(ccn1)Cl 7MU 4-chloranyl-~{n}-methyl-pyridine-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl 7MV n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide +CCC(=O)c1cc([nH]c1)C(=O)OC 7MW methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate +CCOC(=O)C1=CN(C(=O)C=C1Cl)C 7MX ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate +CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C 7MY 7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one +CC(=O)c1cccc(c1)Oc2ncccn2 7MZ 1-(3-pyrimidin-2-yloxyphenyl)ethanone +C1C[C@H](C(=O)C1)CC(=O)O 7N0 2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid +c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F 7N1 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile +c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5 7N2 (4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline +c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N 7N3 2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide +B(c1ccc(c(c1)Cl)OCc2ccccc2F)O 7N4 {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid +CCCCC(=O)C(=O)O 7N5 2-ketohexanoic acid +CCCC[C@H](C(=O)O)O 7N6 (2r)-2-hydroxyhexanoic acid +B(c1ccc2ccccc2c1)(O)O 7N7 naphthalen-2-ylboronic acid +B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O 7N8 4-borono-l-phenylalanine +COc1ccc(cc1C[NH3+])Cl 7N9 (5-chloranyl-2-methoxy-phenyl)methylazanium +Cc1cc(cc2c1ccc(c2C(=O)O)O)OC 7NA 2-hydroxy-7-methoxy-5-methyl naphthoic acid +CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F 7NB 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3 7NC 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one +B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O 7ND (3-bromo-5-phenoxyphenyl)boronic acid +CCOC(=O)c1nc(cs1)C(=O)O 7NF 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid +CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C 7NG 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide +c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N 7NH [2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea +c1cc2cn[nH]c2c(c1)[N+](=O)[O-] 7NI 7-nitroindazole +B(c1ccc(c(c1)Br)C)(O)O 7NJ (3-bromo-4-methylphenyl)boronic acid +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NL 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +B(c1ccc(c(c1)OCc2ccccc2)C)O 7NM [3-(benzyloxy)-4-methylphenyl]borinic acid +C[C@H]1CCc2ccc(cc2C1=O)OC 7NP (2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one +CCC(=O)Nc1nc2ccccc2c(n1)OCC 7NQ ~{n}-(4-ethoxyquinazolin-2-yl)propanamide +B(c1cc(cc(c1)Br)N2CCCC2)O 7NS [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid +CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3 7NT ~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O 7NU phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside +CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 7NV 5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1nc(cs1)C(=O)O 7NW 2-methyl-1,3-thiazole-4-carboxylic acid +C1CCC(CC1)COC(=O)O 7NX cyclohexylmethyl hydrogen carbonate +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NZ 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O 7O0 (~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 7O2 [(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O 7O3 2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide +c1cc(oc1)c2cc([nH]n2)C(=O)O 7O4 3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid +C([C@@H](C(=O)O)N)NC(=O)CS 7O5 (2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid +Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O 7O6 [(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7O7 (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl 7O8 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O 7O9 (2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7OA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-] 7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate +CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC 7OC [3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate +CC[C@H](C/C=C(\C)/C(=O)O)O 7OD (2e,5r)-5-hydroxy-2-methylhept-2-enoic acid +C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F 7OE 4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine +c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl 7OF (~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide +Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4 7OG [(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone +c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 7OI (1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F 7OJ (3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 7OK n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer +c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OL (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol +Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4 7OM (3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O 7OO [(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F 7OP [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone +c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OQ (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O 7OR (1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O 7OS (2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C 7OT spheroidene +c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2 7OU 6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F 7OV [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C 7OX 7-oxo-simocyclinone d8 +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F 7OY (3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C(CF)[C@@H](C(=O)O)N 7OZ (s)-2-amino-4-fluorobutanoic acid +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O 7P0 n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O 7P1 2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O 7P2 2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O 7P3 2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F 7P4 [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone +[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7 7P7 n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O 7P9 [(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate +C(CP(=O)(O)O)CP(=O)(O)O 7PA propane-1,3-diylbis(phosphonic acid) +c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN 7PC 2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol +C1=NC2=C(NC1=O)N=C(NC2=O)N 7PD 2-aminopteridine-4,7(3h,8h)-dione +CCOCCOCCOCCOCCOCCOCCO 7PE 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol +CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7PF pentalenolactone f +COCCOCCOCCOCCOCCOCCOCCOCCO 7PG 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O 7PH (1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate +C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N 7PJ [(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N 7PM (2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O 7PP 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN 7PQ 4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CC(=O)O[Pr](OC(=O)C)OC(=O)C 7PR praseodymium triacetate +CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N 7PS 2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide +C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O 7PT pentalenolactone +c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N 7PV 4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F 7PW n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4 7PY 7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2 7Q1 (5r)-5-phenyl-1,3-oxazolidine-2,4-dione +COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7Q5 methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5 7Q7 2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 7Q9 [(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate +C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O 7QA (2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O 7QB (2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide +C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O 7QD (2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid +C(=N/O)(\C(=O)O)/C(F)(F)F 7QE (2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid +C(=NNC(=O)N)(C(=O)O)C(F)(F)F 7QH (2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid +CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O 7QM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O 7QN (e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O 7QP (1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid +CC(=O)Nc1nc2cc(ccc2s1)OC 7QQ n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide +c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2 7QS (5r)-5-phenyl-1,3-thiazolidine-2,4-dione +CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl 7QU 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2 7QV (5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2 7QY (5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 7R0 2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2 7R1 (5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC 7R2 n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide +c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4 7R3 (2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2 7R4 (5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O 7R6 2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2 7R7 (5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one +CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O 7R9 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N 7RA 7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate +C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O 7RC (2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid +C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C 7RD (r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one +CC1=NC(=O)CC=C1 7RE 6-methyl-3h-pyridin-2-one +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5 7RG 6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CNC(=O)c1c2cc(ccc2[nH]n1)Br 7RI 5-bromanyl-n-methyl-1h-indazole-3-carboxamide +CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7RM 5'-o-(acetylsulfamoyl)adenosine +Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC 7RN n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C 7RO tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7RP 7-alpha-d-ribofuranosyl-purine-5'-phosphate +Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3 7RS n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide +CNC(=O)c1cccc2c1cc[nH]2 7RT n-methyl-1h-indole-4-carboxamide +CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea +c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5 7RV n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide +C1C[C@@H](NC1)CC(=O)O 7RX (r)-homoproline +c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4 7RY n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide +C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N 7S1 n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine +CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3 7S4 n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide +Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN 7S7 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C 7S9 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO 7SA acarbose derived heptasaccharide +c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl 7SB n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine +Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N 7SD n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide +c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O 7SE (3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O 7SG (2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O 7SI (1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol +CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC 7SJ 2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde +CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O 7SK (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid +CNC(=O)c1cc([nH]n1)c2ccco2 7SL 5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide +COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SM 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N 7SP (2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide +COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SS 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O 7SV 6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 7SW 3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid +Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C 7SX [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O 7SY 6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C 7T1 {2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4 7T7 n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide +CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C 7T8 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F 7T9 n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide +CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3 7TA n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N 7TD n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl 7TJ n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide +COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F 7TL (2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid +CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TM 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F 7TO 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O 7TP 5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6 7TQ 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TR 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O 7TS (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7TV 6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 7TX 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7TY 6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7U1 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid +Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2 7U2 (3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine +c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3 7U3 7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O 7U4 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N 7U6 2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7U7 6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl 7U8 methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N 7U9 2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7UA 6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6 7UB (3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one +C[C@H](CC(=O)O)NCC(=O)O 7UC (3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4 7UD 6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4 7UG 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F 7UI 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3 7UJ 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid +C1[C@H](CNC1=O)O 7UK (r)-4-hydroxy-2-pyrrolidone +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F 7UL 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F 7UN (8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one +[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N 7UP 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide +C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 7UR 4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid +Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 7US (3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate +CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 7UU ~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O 7UV (3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid +CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3 7UX 1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3 7UY 6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +C1CCC(CC1)CC(C(=O)O)C(=O)O 7UZ 2-(cyclohexylmethyl)propanedioic acid +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3 7V1 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N 7V3 (s)-(4-chlorophenyl)-phenyl-methanamine +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3 7V4 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4 7V5 ~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine +Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O 7V6 5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid +CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 7V7 n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O 7V9 ~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate +Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC 7VA (5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC 7VC 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol +CC(=O)CP(=O)(O)O 7VD (2-oxopropyl)phosphonic acid +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O 7VF 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol +B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O 7VG {3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +CNC1=C(C(=O)NC(=N1)N)N=O 7VJ 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl 7VL 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol +CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4 7VM n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide +CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O 7VO (2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid +Cc1c[nH]c(n1)c2ccccc2 7VP 4-methyl-2-phenyl-1h-imidazole +CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3 7VR 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime +c1ccc2c(c1)/C(=N/N)/C=CN2 7VS (4e)-4-hydrazinylidene-1,4-dihydroquinoline +Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3 7VT 5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide +CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC 7VV (6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C 7VX (4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid +COc1cccc(c1)C[C@H]2CCCNC2 7VY (3r)-3-[(3-methoxyphenyl)methyl]piperidine +COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N 7VZ methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W0 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid +Cc1cnc2ccccc2c1N 7W1 3-methylquinolin-4-amine +Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N 7W3 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid +Cc1c(n2ccccc2n1)N 7W4 2-methylimidazo[1,2-a]pyridin-3-amine +Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N 7W6 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3 7W7 (3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide +Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W9 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid +c1cc(c2c(c1)[nH]cn2)N 7WA 1h-benzimidazol-4-amine +c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2 7WB (2z)-2-indol-3-ylidene-3h-1,3-thiazole +c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N 7WD (6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O 7WF 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid +c1c([nH]c(n1)N)C2CC2 7WG 5-cyclopropyl-1h-imidazol-2-amine +COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O 7WH 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +COCCNC(=O)Nc1cccc(c1)Cl 7WI 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea +c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N 7WJ (2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid +CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F 7WL 3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide +c1ccc2c(c1)ccc(c2C=O)O 7WO 2-hydroxynaphthalene-1-carbaldehyde +c1c(nc2c(nc(nc2n1)N)N)C=O 7WP 2,4-diaminopteridine-6-carbaldehyde +COc1ccc(c(c1)C=O)O 7WQ 2-hydroxy-5-methoxybenzaldehyde +COc1cc(cc(c1O)O)C(=O)O 7WR 3-methoxy-4,5-bis(oxidanyl)benzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C 7WU methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate +c1ccc(c(c1)C(=O)O)Br 7WV 2-bromobenzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C 7WX methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate +Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl 7WY 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C 7X0 (1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid +COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl 7X1 n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X2 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine +COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 7X3 n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X4 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X5 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine +CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X6 n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide +c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl 7X7 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N 7X8 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide +C(CCCN)CCC(=O)NO 7XA 7-amino-n-hydroxyheptanamide +Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F 7XB 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N 7XC (2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4 7XD 1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O 7XF (2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid +Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F 7XG 2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide +CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5 7XH ~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide +c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N 7XJ 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O 7XL [[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid +c1cc2c(ccnc2N)cc1N 7XM isoquinoline-1,6-diamine +CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4 7XN 5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide +CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5 7XO n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N 7XP (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6 7XR 9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C 7XS 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6 7XU 9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC 7XV 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine +COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3 7XW n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide +Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl 7XX 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide +c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4 7XY {(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid +Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl 7Y0 4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide +CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C 7Y1 3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine +c1cnn(c1)S(=O)(=O)c2ccc(s2)Br 7Y3 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole +CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C 7Y4 (3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl 7Y6 4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O 7Y7 5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide +[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N 7Y9 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide +C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YA (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2 7YC (e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile +[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1 7YF (2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide +CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N 7YG 3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br 7YH 2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YJ (2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide +C1=CC(=O)N[C@H]1C(=O)O 7YL (2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid +Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O 7YM n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O 7YN 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea +C1CC(=O)N[C@H]1C(=O)O 7YO (2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid +CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN 7YP (2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2 7YR (2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide +Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C 7YS (10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O 7YU (+)-yatakemycin +Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C 7YV (1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid +Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C 7YY 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione +COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F 7Z0 n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide +CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F 7Z1 (2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone +c1cc(cc(c1)N2CCCC2)CN 7Z3 1-(3-pyrrolidin-1-ylphenyl)methanamine +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O 7Z4 5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide +CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2 7Z5 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid +c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl 7Z6 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O 7Z7 (2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N 7Z9 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N 7ZA 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C 7ZB 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CN(C)Cc1c[nH]c2c1cc(cc2)OC 7ZC 1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O 7ZD (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide +c1cc2c(cccn2)c(c1)[N+](=O)[O-] 7ZE 5-nitroquinoline +c1ccc(cc1)Nc2ncnc(n2)N 7ZF n-phenyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZG n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7ZH methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZJ n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZK 2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +c1ccc(cc1)Nc2c(cnc(n2)N)Cl 7ZL 5-chloro-n4-phenylpyrimidine-2,4-diamine +c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O 7ZM n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide +c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O 7ZN 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid +c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F 7ZP 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea +C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl 7ZQ 3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide +COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-] 7ZR 3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide +c1cc(c(c(c1)C(=O)O)O)C=O 7ZS 3-methanoyl-2-oxidanyl-benzoic acid +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZT 2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C 7ZU (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl 7ZV 5-hydroxydiclofenac +CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F 7ZW 2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O 7ZY 1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] 801 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F 802 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C 803 lovastatin +c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6 804 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole +[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N 806 7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F 808 n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide +Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO 809 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione +c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3 80A (r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol +COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5 80C 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N 80F (2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid +c1cc(sc1)c2ccc(cc2)CN 80G 1-(4-thiophen-2-ylphenyl)methanamine +CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C 80H ~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide +CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2 80K tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2 80L 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid +c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 80M sulfonato-thiacalix[4]arene +[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3 80O n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide +CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O 80P (4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ncc1C(F)(F)F)OC2CCNCC2 80Q 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine +c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2 80R 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one +Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 80U 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C 80V 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid +CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl 80X n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC 80Z 1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide +CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC 810 ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl 811 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3 812 n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC 814 [(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1 815 thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide +Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 816 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F 817 1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene +CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C 818 18-hydroxyascomycin +CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C 819 ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate +[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C 81A 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester +C1CCC(C1)NC(=O)C(=O)O 81B (cyclopentylamino)(oxo)acetic acid +CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC 81C n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide +C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O 81E (1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br 81F 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O 81G (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F 81H (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol +c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F 81I (4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one +CCOc1ccc(cc1)C(=O)O 81J 4-ethoxybenzoic acid +CCCCCC/C=C\CCCCCCCC=O 81K (z)-hexadec-9-enal +CCSc1ccc(cc1)C(=O)O 81M 4-(ethylsulfanyl)benzoic acid +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C 81O 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid +CNc1ccc(cc1)C(=O)O 81P 4-(methylamino)benzoic acid +C([C@H](CS)S)[C@@H](C(=O)O)N 81R (4r)-4,5-disulfanyl-l-norvaline +C([C@@H](CS)S)[C@@H](C(=O)O)N 81S (4s)-4,5-disulfanyl-l-norvaline +c1ccc2c(c1)nc3cc(c(cc3n2)O)N 81U 3-azanylphenazin-2-ol +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O 81V n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide +c1ccc2c(c1)C(=NNC2=O)CN 81X 4-(aminomethyl)phthalazin-1(2h)-one +CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 81Y 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 820 (2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 821 [4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 822 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide +C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS 823 n,n-bis(3-sulfanylpropyl)-l-asparagine +c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O 824 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3 825 [{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O 826 1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O 827 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O 829 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine +c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F 82A (s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br 82B 3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F 82D (3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N 82E 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 82F n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F 82G (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +CNC1=C(C(=O)N(N=C1)C)Cl 82I 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one +CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C 82J 3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide +CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 82K (2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO 82M n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide +C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8 82N nickel iron clsuter with cyanide bound +Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C 82O (3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 82R (1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol +C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br 82S (1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 82V 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one +C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C 82W [(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O 82X 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid +c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO 82Y n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K] 830 dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate +CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 831 n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)N 833 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C 834 n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide +CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N 835 (3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-] 836 n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide +CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4 837 ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC 838 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O 839 3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N 83A n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid +C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 83B [(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate +c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O 83D 5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83E n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4 83G 1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione +CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C 83H 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one +CCOC(=O)CC(=O)CCl 83I ethyl 4-chloranyl-3-oxidanylidene-butanoate +Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC 83J 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83K n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1 83L 10,20-diphenyl-5,15-diaza-porphyrin containing fe +CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O 83M n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine +c1[nH]c(nn1)C[C@@H](C(=O)O)N 83O (2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid +CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6 83P (r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN 83Q 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine +c1ccc2c(c1)c3ccccc3s2 83R dibenzothiophene +CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2 83S 5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C 83T propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1ccc2c(c1)-c3ccccc3S2=O 83U dibenzothiophene 5-oxide +c1ccc(cc1)CC[C@@H](CCC(=O)O)N 83V (4s)-4-amino-6-phenylhexanoic acid +CC(=O)c1c(cc(cc1O)O)O 83X 1-[2,4,6-tris(oxidanyl)phenyl]ethanone +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O 83Y 3-o-sulfo-alpha-l-rhamnopyranose +C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O 840 platensimycin a1 +c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3 841 ~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O 842 n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 843 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide +COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine +C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N 845 n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O 846 [4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-] 847 2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate +c1ccc(c(c1)N)OCc2cccnc2 848 2-(pyridin-3-ylmethoxy)aniline +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F 849 2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine +c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 84A p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N 84D dibekacin +C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 84F (3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N 84G arbekacin +COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3 84H (5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N 84I methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate +C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O 84J [(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid +c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5 84M n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide +COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3 84N (5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N 84O methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6 84P n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N 84R 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F 84S n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 84T [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid +c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F 84U 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+] 84W [7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium +c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5 84X 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol +COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N 84Z methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC 851 n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 852 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 853 5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid +CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2 854 ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4 855 2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine +COC(=O)c1ccc(cc1)C(=O)OCCO 856 o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl 857 4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide +CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C 858 c32-o-(1-ethyl-indol-5-yl)ascomycin +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O 859 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N 85A 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile +Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F 85B 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid +Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O 85C 1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea +CC1([C@@H]2CC=C([C@H]1C2)CBr)C 85D (1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F 85E {7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium +C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N 85F (2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid +CCNC(=O)CC[C@@H](C(=O)O)N 85G n-ethyl-l-glutamine +CCCNC(=O)CC[C@@H](C(=O)O)N 85J n-propyl-l-glutamine +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N 85K (7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium +C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O 85M (2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol +c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl 85P 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC 85R [(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate +CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6 85S 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N 85T 4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 85U methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO 85V 1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol +Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6 85X 12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 85Y 2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate) +Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F 85Z (e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid +c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl 860 2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide +COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 861 3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N 862 1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C 863 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 864 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7 865 7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid +CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl 866 5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 867 methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C 869 (1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O 86A (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid +CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O 86B 4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide +Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F 86C 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F 86D 3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile +c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5 86H 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +Cc1c(n2cc(ccc2n1)F)N 86J 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine +CC(C)Oc1ccc(cc1Cl)CN 86L (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine +COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O 86M 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde +c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N 86N (2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc-2c(c1)CCc3c2nnc(c3)N 86Q 5,6-dihydro-benzo[h]cinnolin-3-ylamine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86S [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86U 6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86V (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86X 6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86Y (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N 870 n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide +CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2 871 2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N 872 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one +c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O 873 3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one +CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2 874 (2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 876 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide +CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N 877 n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide +c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O 878 5-iodo-2-(oxalyl-amino)-benzoic acid +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl 879 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine +C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O 87C 3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one +CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C 87D n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide +C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C 87E (2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid +c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3 87F 3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F 87G n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide +C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3 87H (2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide +Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O 87J (s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +c1ccc(cc1)[C@@H](C(=O)O)n2cccc2 87L (2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid +CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4 87M n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87N [(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O 87O phosphono hexadecanoate +Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O 87P n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide +CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C 87R 6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N 87S 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide +Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN 87T n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2 87U (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione +Cc1c(cc([nH]1)c2ccccc2)C(=O)N 87V 2-methyl-5-phenyl-1h-pyrrole-3-carboxamide +C1CCC(CC1)CCCCC(=O)O 87X 5-cyclohexylpentanoic acid +C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3 87Y 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87Z [(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5 880 cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N 881 n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide +CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 882 (3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid +CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4 883 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea +Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O 885 1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline +CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C 886 n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 887 n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O 888 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one +CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C 889 n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide +CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5 88A 8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine +C(CC(=O)O)C(=O)NN 88B 4-diazanyl-4-oxidanylidene-butanoic acid +CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC 88C 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3 88D n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide +Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4 88E 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3 88G nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide +CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O 88I (3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one +Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O 88J (s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol +CCc1ccc(cc1)OP(=O)(O)O 88L (4-ethylphenyl) dihydrogen phosphate +CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C 88M 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88N {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2 88P ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate +C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O 88Q 1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol +COc1ccc(cc1OC)CC(C(=O)O)C(=O)O 88R 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N 88S n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide +Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC 88U n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88V (4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid +CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C 88W n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide +CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3 88X 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one +Cc1c(cc([nH]1)c2ccccc2N)C(=O)C 88Y 1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one +COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F 88Z n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3 890 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one +C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C 891 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br 892 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide +CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N 893 5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl 894 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl 895 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C 896 n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C 897 n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 898 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C 89A 2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide +CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 89C 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one +CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O 89D 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 89E 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole +CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC 89F 1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine +CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC 89G 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one +CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4 89I 5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine +CNC1=CC(=O)N(N=C1c2ccccc2)C 89J 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one +C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O 89L (e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN 89M nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide +C(/C=C/CO)O 89N (2e)-but-2-ene-1,4-diol +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 89O (5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C 89R fluorinated heme +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN 89S nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide +COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4 89U 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one +CC(C)([C@@H](C(=O)O)O)O 89V (2s)-2,3-dihydroxy-3-methylbutanoic acid +c1ccc(cc1)C(=O)N[C@@H]2CCCNC2 89W n-[(3r)-piperidin-3-yl]benzamide +CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2 89X (2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide +C1[C@@]([C@H](C(=O)O1)O)(CO)O 89Y (3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one +Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C 8A0 (4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +C[C@](CO)(C(=O)O)O 8A1 (2s)-2,3-dihydroxy-2-methylpropanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N 8A3 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O 8A4 (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol +COc1ccc(cc1OC)CN2CCOCC2 8A5 4-[(3,4-dimethoxyphenyl)methyl]morpholine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N 8A6 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5 8A7 (5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AA 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine +Cc1cccc(n1)N2CCN[C@H](C2)C 8AB (3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine +C(CCCC(=O)O)CCCN 8AC 8-aminooctanoic acid +CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N 8AD 9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide +c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AF [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8AG 8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) +Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8AH 5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine +CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl 8AJ 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine +Cc1cc(no1)C(=O)N(C2CC2)C(C)C 8AK n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C 8AM n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N 8AN 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N 8AO (4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)CNc2cccnc2N 8AP n~3~-benzylpyridine-2,3-diamine +O[As](=O)([O-])[O-] 8AR hydrogen arsenate +C1COCCN1CCC(=O)O 8AS 3-(morpholin-4-yl)propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N 8AU (4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C1CCC(CC1)[C@@H](CN)N 8AV (1s)-1-cyclohexylethane-1,2-diamine +CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3 8AW 1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F 8AX 6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N 8AY 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine +C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O 8AZ 8-aza-nebularine-5'-monophosphate +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N 8B0 (4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4 8B1 n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@H](c1ccc(cc1)N2CCOCC2)N 8B2 (1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N 8B3 (4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F 8B4 (1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol +c1coc2c1c(c3c(c2)OC(=O)C=C3)O 8B6 4-oxidanylfuro[3,2-g]chromen-7-one +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O 8B7 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O 8B9 2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose +c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N 8BA 8-bromo-deoxyadenosine-5'-monophosphate +C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O 8BB trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid +CC(=O)Nc1cccc(c1C(=O)O)F 8BC 2-acetamido-6-fluorobenzoic acid +COc1ccccc1\C=N/OCCC(=O)O 8BD 3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid +C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BF (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N 8BG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate +C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C 8BI (1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine +CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 8BJ (2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BL (5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one +CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C 8BM 4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium +Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C 8BN tegoprazan +C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C 8BP n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O 8BQ 7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8BR 8-bromo-adenosine-5'-monophosphate +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C 8BS n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +CS(=O)(=O)NC1CCCC1 8BT n-cyclopentylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N 8BU [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)Oc1ccccc1C(=O)N 8BV 2-[(propan-2-yl)oxy]benzamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F 8BX 6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N 8BY 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide +Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO 8BZ n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide +CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C0 (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3 8C1 4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide +Cc1c(c(n[nH]1)C)CNC2CCCCC2 8C2 n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine +CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3 8C3 n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide +CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5 8C5 8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N 8C6 [(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid +CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C9 (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one +c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3 8CA 9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O 8CB (1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol +CNC(=O)c1cc(c[nH]1)c2ccncc2 8CC n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N 8CD 1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C 8CE soraprazan +CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CF n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide +CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC 8CG 1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide +C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C 8CH methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate +Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C 8CK n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine +c1ccc(cc1)Cl 8CL chlorobenzene +c1cc2c(c(c1)O)OC(=O)C=C2 8CM 8-hydroxycoumarin +C[C@H]1CCCCN1C(=O)[C@@H](C)N 8CN (2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one +CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CO n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O 8CP 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine +CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CR n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide +C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O 8CS (2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C 8CT (6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC 8CU n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide +[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1 8CV n-(2-phenylethyl)imidodicarbonimidic diamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F 8CX 6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O 8CY ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form +Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2 8CZ n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide +CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C 8D0 (6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol +[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC 8D1 5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide +CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O 8D3 (6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol +c1ccc(cc1)c2c(nn[nH]2)C(=O)O 8D4 5-phenyl-1h-1,2,3-triazole-4-carboxylic acid +c1cnccc1c2c[nH]c(c2Cl)C(=O)N 8D6 3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O 8D7 (1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O 8D8 (3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide +C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O 8DA 8-oxodeoxyadenosine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N 8DD 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate +c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 8DE 2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O 8DG 8-oxo-2'-deoxyguanosine-5'-triphosphate +CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1 8DH n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5 8DJ 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N 8DM n-(4-aminobenzene-1-carbonyl)-l-glutamic acid +Cc1cc(cc(c1)n2cc(nn2)C)C 8DN 1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole +Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O 8DP 8-demethyl-8-aminoriboflavin-5'-phosphate +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4 8DQ 8-phenyl-2-piperazin-1-yl-chromen-4-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3 8DR (s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid +c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl 8DS 4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide +CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8DT 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl 8DU n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6 8DV (r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine +C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O 8DX (2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N 8DY 3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide +COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC 8DZ (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate) +c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N 8E1 4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide +CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6 8E2 preladenant conjugate psb-2113 +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F 8E3 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O 8E4 (3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F 8E6 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCCCCCCCCCNCCS 8E7 2-(decylamino)ethane-1-thiol +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 8E8 1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O 8E9 1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate +CCCCCCCCCCNCCSSCc1ccc(cc1)Cl 8EA n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F 8EC 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O 8EF 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +Cc1ccc(cn1)C(=O)N 8EJ 6-methylpyridine-3-carboxamide +c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O 8EK 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid +Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O 8EL 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7 8EM n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide +Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F 8EN ~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide +Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C 8EO 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O 8EP (2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8EQ 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7 8ES n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide +c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3 8ET ~{n}-quinolin-5-ylpyridine-3-carboxamide +CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-] 8EU ethyl-[(4-nitrophenyl)methoxy]phosphinic acid +CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N 8EV 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +CC(=CC(=O)O)CC(=O)O 8EW 3-methylpent-2-enedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O 8EX 2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N 8EY 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +C[C@H]1CCCC[C@H]1C(=O)O 8EZ (1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4 8F0 (3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N 8F1 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile +c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F2 (r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide +c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F3 4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide +C1CCNC(=O)[C@H](C1)N 8F4 (3~{s})-3-azanylazepan-2-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O 8F5 3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C 8F6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N 8F7 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8F9 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 8FB (3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4 8FC ~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N 8FD 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile +CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8FF (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one +CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8FG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene +C(C(Cl)(Cl)Cl)O 8FH 2,2,2-tris-chloroethanol +CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4 8FK (2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide +Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O 8FL 2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC 8FM (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6 8FN 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one +Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O 8FP n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4 8FQ ~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide +Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl 8FR 2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine +C#Cc1ccc(cc1F)F 8FS 1-ethynyl-2,4-difluorobenzene +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC 8FT 2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl 8FU [6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6 8FV 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole +[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4 8FW ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide +C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl 8FX [6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5 8FY n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(cnc1)Oc2ccc(o2)CN 8FZ (5-pyridin-3-yloxyfuran-2-yl)methanamine +c1cc(cc(c1)C(=O)O)C(=O)O 8G0 benzene-1,3-dicarboxylic acid +c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F 8G1 (3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile +COC(=O)c1ccc(cc1)C[NH3+] 8G2 (4-methoxycarbonylphenyl)methylazanium +Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3 8G3 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol +c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F 8G4 (1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3 8G5 (4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one +Cc1cc2nccc(n2n1)c3ccc(cc3)Cl 8G6 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine +CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C 8G7 (2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +Cn1cnc2c1nc(nc2)Cl 8G8 2-chloranyl-9-methyl-purine +C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O 8GA 5-se-methyl-5-seleno-alpha-d-ribofuranose +CC(=O)c1cc(cc(c1O)CCl)Cl 8GB 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone +C[n+]1cccc(c1)C(=O)N 8GC 3-carbamoyl-1-methylpyridin-1-ium +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O 8GD 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) +c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N 8GE 4-(1~{h}-indol-2-yl)benzenesulfonamide +Cc1nccc(n1)N 8GF 2-methylpyrimidin-4-amine +C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O 8GG 5-se-methyl-5-seleno-beta-d-ribofuranose +c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N 8GH 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O 8GI 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C 8GJ (2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1ccc2c(c1)cccc2C(=O)NO 8GK ~{n}-oxidanylnaphthalene-1-carboxamide +C(C[C@](C(=O)O)(N)O)C(=O)O 8GL (2s)-2-azanyl-2-oxidanyl-pentanedioic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O 8GM [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 8GN ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide +CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C 8GO (2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 8GP n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO 8GQ pyrazolo-pyrimidine macrocycle +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O 8GR (2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O 8GS 2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O 8GT 8-oxo-guanosine-5'-triphosphate +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O 8GU (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C 8GV 6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O 8GX (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one +C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C 8GY 2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one +CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4 8H0 n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N 8H1 2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +c1cc2c(cc1N)cn[nH]2 8H4 1~{h}-indazol-5-amine +CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C 8H5 verruculogen +CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O 8H6 s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate +c1cc(c(cc1O)F)C#N 8H8 2-fluoro-4-hydroxybenzonitrile +C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8HB (2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid +c1cc2ccc(nc2c(c1)O)C(=O)O 8HC 8-hydroxyquinoline-2-carboxylic acid +Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O 8HD n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide +c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N 8HE 4-(4-cyanophenyl)benzenesulfonamide +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O 8HF propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O 8HG 2'-deoxy-8-oxoguanosine +CCNc1cc(nc2n1ncc2)c3cccnc3 8HH ~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 8HI (3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid +c1cc2c(cc1O)NC(=O)CC2 8HJ 7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one +c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N 8HK 4-pyridin-3-ylbenzenesulfonamide +CCCCCCCc1cc(cc(c1C(=O)O)O)O 8HL 2-heptyl-4,6-bis(oxidanyl)benzoic acid +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O 8HM 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2 8HN 2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid +Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid +c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl 8HP 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(ccnc2c(c1)O)C(=O)O 8HQ 8-hydroxyquinoline-4-carboxylic acid +CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4 8HR propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate +CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C 8HS [(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate +[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4 8HT ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide +CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O 8HV 5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F 8HW 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid +c12c([nH]c(n1)O)NC(=O)NC2=O 8HX 8-hydroxy-3,9-dihydro-1h-purine-2,6-dione +c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3 8HY n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide +Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O 8HZ 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N 8I1 2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C 8I2 (3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone +CCCCCCCCCc1cc(cc(c1C(=O)O)O)O 8I6 2-nonyl-4,6-bis(oxidanyl)benzoic acid +CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8I9 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate +c1cc(c(cc1C(=O)O)O)C(=O)O 8IB 2-hydroxyterephthalic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N 8ID nicotinamide-8-iodo-adenine-dinucleotide +Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C 8IE (4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine +c12c([nH]c(n1)I)N=C(NC2=O)N 8IG 8-iodo-guanine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N 8IN [3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC 8IO [(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate +c1cc(cc(c1)c2cccnc2)CNc3cccnc3N 8IP n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine +COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4 8IR n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide +CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4 8IU (3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C 8IX n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J0 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N 8J1 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C 8J2 propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J3 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC 8J4 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C 8J6 4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine +Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N 8J7 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC 8J8 ~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide +CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O 8J9 (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 8JB (2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid +CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F 8JC n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide +CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8JD [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 8JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C 8JF n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O 8JG (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid +CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JH ~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O 8JI n-succinyl-l-phenylglycine +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O 8JJ 5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O 8JL 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4 8JM 4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO 8JN 1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F 8JO 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC 8JP 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide +CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JQ ~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O 8JR 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F 8JS 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide +c1cc2c(cc1C[NH2+]C3CCCC3)OCO2 8JT 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium +O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3 8JU fe4-s4-o cluster +Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O 8JV (2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid +C1=C(C(=O)NC=C1C(F)(F)F)N 8JW 3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one +COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O 8JX 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid +CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O 8JY [2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate +CCCCOC(=O)C 8JZ butyl acetate +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O 8K0 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O 8K1 5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine +c1cc(sc1S(=O)(=O)N)Cl 8K2 5-chloranylthiophene-2-sulfonamide +COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F 8K4 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone +c1cc(ccc1CSC(=[NH2+])N)Cl 8K5 [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium +CCCCCCCCCCCCCCCCCC 8K6 octadecane +COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F 8K7 1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO 8K8 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O 8K9 (1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O 8KA 2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +C1COC[C@@H](CN1)O 8KB (6~{r})-1,4-oxazepan-6-ol +CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 8KC (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KD 2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one +c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KG 2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O 8KH n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide +CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8KK ~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7 8KL 9-o-3'-quinolinium propylberberine +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N 8KM n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8KN (2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O 8KO (2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide +CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C 8KP n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide +Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO 8KR (2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide +c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O 8KS (1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid +c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O 8KU 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 8KV n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea +COc1cc(cc(c1)O)CCc2ccccc2O 8KW 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F 8KX 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl 8KY {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl 8L0 (2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl 8L1 n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8L2 (2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl 8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine +[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO 8L4 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide +[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8L5 ~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8L7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine +c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 8L8 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol +Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F 8L9 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8LA n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8LB (2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O 8LC n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide) +C(#COC#CO)O 8LD 2,2'-oxydi(ethyn-1-ol) +CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LE [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate +Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 8LF ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide +c1cc(c(nc1)O)O 8LG pyridine-2,3-diol +C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8LH [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate +CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1 8LI (4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one +C1C=CN[C@@H]1C(=O)O 8LJ (2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O 8LK pyrrolo-dc +CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C 8LL 5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide +CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O 8LM 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni c acid +Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl 8LN 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC 8LO (2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5 8LP 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate +C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O 8LR 2-hydroxyethyl alpha-d-mannopyranoside +Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F 8LS 6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione +c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F 8LU (2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide +c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N 8LV 3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C 8LW 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC 8LX (5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F 8LY n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine +c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2 8LZ (2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium +[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-] 8M0 bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi) +CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4 8M1 n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide +c1cscc1C(=[NH2+])N 8M2 [azanyl(thiophen-3-yl)methylidene]azanium +COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8M4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid +Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3 8M5 1-methyl-n-phenyl-indole-3-carboxamide +Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5 8M6 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide +CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 8M7 n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide +Cc1c(c(sc1C#N)c2nc[nH]n2)C 8M8 3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile +Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl 8M9 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4 8MA 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid +Cc1ccc(cc1)/C=C/C(=O)O 8MB (~{e})-3-(4-methylphenyl)prop-2-enoic acid +COc1ccc2c(c1)OC(=O)C=C2CC(=O)O 8MC (7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid +C=C[C@H]1CCC([C@H](C1)O)O 8MD (1s,2s,4s)-4-ethenylcyclohexane-1,2-diol +C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 8ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide +c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl 8MF 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 8MG 8-methyl-2'-deoxyguanosine-5'-monophosphate +CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O 8MH 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 8MI n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +c1cc2ccc(nc2c(c1)O)C=O 8MJ 8-oxidanylquinoline-2-carbaldehyde +CC(=O)/C=C/c1ccc(cc1)O 8MK (~{e})-4-(4-hydroxyphenyl)but-3-en-2-one +Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O 8ML 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN 8MM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside +c1cc(ccc1SCC(=O)NN)Cl 8MN 2-(4-chlorophenyl)sulfanylethanehydrazide +COc1c2c(cco2)cc3c1OC(=O)C=C3 8MO methoxsalen +CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 8MP n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide +CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 8MQ 2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one +COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F 8MR (3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid +CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O 8MS (r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol +c1c(c(sc1C(=O)NN)Br)Br 8MT 4,5-bis(bromanyl)thiophene-2-carbohydrazide +CC(=O)OCc1ccc(o1)C=O 8MV (5-formylfuran-2-yl)methyl acetate +Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C 8MW 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid +Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O 8MX 1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N 8MY 4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1cc2c(cc1c3csc(n3)N)NC(=O)N2 8MZ 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one +c1cc(c(nc1)Br)O 8N0 2-bromanylpyridin-3-ol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl 8N1 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine +COc1cccc(c1OC)/C=C/C(=O)O 8N2 (~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid +Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO 8N3 (2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide +c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8N4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid +c1ccc2c(c1)CSC3=C2NNC3=O 8N5 2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 8N6 (5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5 8N7 6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide +c1c(c(c(s1)C(=O)O)Br)Br 8N8 3,4-bis(bromanyl)thiophene-2-carboxylic acid +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C 8N9 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 8NA alpha-diphosphopyridine nucleotide +CC(=O)Nc1ccc(c(c1)Cl)OC 8NB ~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide +COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C 8NC (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC 8ND (2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate +c1cc(ccc1C(=[NH2+])N)C(F)(F)F 8NE [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium +Cc1cc(ncc1N)C 8NF 5-amino-2,4-dimethylpyridine +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F 8NG n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide +Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O 8NH 2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile +CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4 8NJ 6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 8NK 7-methylguanosine 5'-diphosphate +Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl 8NL (2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate +CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C 8NM n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 8NN (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan +c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N 8NO 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide +CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3 8NP 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one +c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N 8NQ 1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4 8NR ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate +CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NS 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O 8NT 3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid +CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one +CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NV 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCO 8NW 5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide +c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O 8NX 8-nitro-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1I)cn[nH]2 8NY 5-iodanyl-1h-indazole +c1cc2c(cc1Br)c(c[nH]2)C(=O)O 8NZ 5-bromanyl-1~{h}-indole-3-carboxylic acid +C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C 8O0 hapalindole a +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4 8O1 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N 8O3 (r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one +CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C 8O4 7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O 8O5 (2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide +c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN 8O7 n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de +CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4 8O8 ~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide +CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OA (r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl 8OB 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 8OD [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl 8OE 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline +COc1ccc(cc1)Nc2ccnc3c2cccc3 8OF n-(4-methoxyphenyl)quinolin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O 8OG 8-oxo-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N 8OH 2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine +CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OJ (s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N 8OK 2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine +CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8OL (s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OM (s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N 8ON 1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8OP [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O 8OQ alpha-d-aceric acid +CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O 8OR 2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one +Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O 8OS 5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N 8OT 2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine +Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O 8OU 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F 8OV n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N 8OW ~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 8OX 6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one +c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8OY 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid +C=C(c1ccccc1)C(=O)O 8OZ 2-phenylacrylic acid +c1cc2ccc3cccc4c3c2c(c1)cc4 8P0 pyrene +c1cc2c(cc1N)CCCC2=O 8P1 6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N 8P2 [(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium +c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O 8P3 2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid +c1cc(ccc1NC(=S)N)F 8P4 1-(4-fluorophenyl)thiourea +C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O 8P5 azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium +C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C 8P6 hapalindole u +Cc1[nH]c2ccccc2n1 8P7 2-methyl-1~{h}-benzimidazole +[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81 8P8 c fe7 s8 v +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl 8P9 5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O 8PA 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium +c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl 8PC 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 8PE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate +C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 8PF pentadecafluorooctanoic acid +CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O 8PG (8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid +CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-] 8PH hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate +c1cc(c(nc1)O)[N+](=O)[O-] 8PJ 3-nitropyridin-2-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O 8PK 4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O 8PL (2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C 8PM n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O 8PO (2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C 8PP 2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol +Cc1c(c(n[nH]1)C)Br 8PQ 4-bromanyl-3,5-dimethyl-1~{h}-pyrazole +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F 8PR paroxetine +CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2 8PS 5-octyl-2-phenoxyphenol +Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5 8PT ~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine +Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br 8PU 5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide +c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4 8PV n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F 8PW (2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br 8PX 5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 8PY [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8PZ [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 8Q1 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate +C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8Q2 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate +Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C 8Q3 5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl 8Q4 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate +CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4 8Q5 ~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide +CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C 8Q6 dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O 8Q7 9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N 8Q8 (2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide +Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br 8Q9 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide +c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4 8QB 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one +Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br 8QC 5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 8QD (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol +CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N 8QE 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide +C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C 8QF [(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate +c1cc(sc1c2c[nH]nc2)Cl 8QG 4-(5-chlorothiophen-2-yl)-1h-pyrazole +Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O 8QH (4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N 8QI ({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O 8QJ (2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid +COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O 8QK 1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol +C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O 8QL (3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol +c1cc(ccc1C2CC2)C(=O)O 8QM 4-cyclopropylbenzoic acid +C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O 8QN [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +C[C@@H]1CN=C(N1)c2ccc(cc2O)OC 8QO 5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol +CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O 8QP [(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN 8QQ 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one +CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O 8QS [(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3 8QT (2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol +CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6 8QV (5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C 8QW (2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide +CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br 8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one +C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C 8QY n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea +CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC 8QZ ~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 8R0 (3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione +c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N 8R2 (2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O 8R3 3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid +c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O 8R4 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8R5 3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O 8R6 (2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid +COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O 8R7 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O 8R8 3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid +CC(=O)N1CCN(CC1)c2ccccn2 8RA 1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one +Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8RB 3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide +Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F 8RD {4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone +C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O 8RE 3,4-dihydroxylysine +Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC 8RH bay 1217389 +CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3 8RI (2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide +CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O 8RJ (r)-1'-(2',3'-dihydroxypropyl)-thymine +Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8RK 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CNC(=O)c1cc2ccccc2nc1 8RM n-methylquinoline-3-carboxamide +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4 8RN 7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one +CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O 8RO [(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N1CCc2cc(c(cc2C1)OC)OC 8RP 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one +C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O 8RQ ~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C 8RR 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid +CC(=O)N1CCN(CC1)c2ccccc2 8RS 1-(4-phenylpiperazin-1-yl)ethan-1-one +Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RT (2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CCc1ccc(c(c1)O)O 8RU 4-ethylbenzene-1,2-diol +CC(=O)NC1CCN(CC1)Cc2ccccc2 8RV n-(1-benzylpiperidin-4-yl)acetamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RW (2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CNC(=O)c1ncccn1 8RY n-methylpyrimidine-2-carboxamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F 8RZ (1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide +C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O 8S0 l-glucono-1,5-lactone +c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl 8S1 5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N 8S2 (2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl 8S3 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid +COc1ccc(cc1)Cn2cnnn2 8S4 1-[(4-methoxyphenyl)methyl]-1h-tetrazole +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F 8S5 (2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +C[C@H](CC(=O)O)NC(=O)C(=O)O 8S6 (3r)-3-(oxaloamino)butanoic acid +Cc1cc(on1)NC(=O)C2CC2 8S7 n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide +C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O 8S8 (3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid +c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl 8S9 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid +Cc1cc(no1)NCc2cccs2 8SA 5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SB (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +c1cc2c(cc1O)CC(=O)N2 8SD 5-hydroxy-1,3-dihydro-2h-indol-2-one +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SE (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +CC(C)Sc1nnnn1c2ccccc2 8SF 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole +Cc1cc(on1)NC(=O)c2ccco2 8SG n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide +CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC 8SH (2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol +[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-] 8SJ (4-nitrophenyl)methyl carbamimidothioate +c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O 8SK benzo[a]pyren-3-ol +CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC 8SL 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole +Cn1cc(c(n1)n2cccc2)c3ccccn3 8SM 2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 8SN (3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C 8SO n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC 8SP o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CCC(=O)NO 8SQ 3-naphthalen-1-yl-~{n}-oxidanyl-propanamide +Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F 8SR 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1cc(ccc1c2c[nH]nc2N)Br 8SS 4-(4-bromophenyl)-1h-pyrazol-3-amine +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 8ST n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O 8SU (~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid +CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C 8SV 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one +C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8SW ~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C 8SX preaustinoid a1 +CN1c2ccc(cc2CCC1=O)N 8SY 6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one +C(CCN)C[C@@H](C(=O)NO)N 8SZ (2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide +C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C 8T0 preaustinoid a2 +CN1c2ccc(cc2C=CC1=O)N 8T1 6-amino-1-methylquinolin-2(1h)-one +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8T2 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl 8T3 n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide +Cn1c(c(cn1)c2ccccc2)n3cccc3 8T4 1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 8T5 (1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid +Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N 8T7 1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine +c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br 8T8 (1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine +CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C 8T9 preaustinoid a3 +c1ccnc(c1)c2cn[nH]c2n3cccc3 8TA 2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O 8TB (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O 8TC berkeleyone a +CN1c2ccc(cc2N(C1=O)C)N 8TD 5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O 8TE p-methylphosphonatocalix[4]arene +CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br 8TG 7-bromo-1-methyl-6-nitroquinolin-2(1h)-one +CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C 8TH chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium +CNC(=O)c1cc2cccnc2s1 8TJ n-methylthieno[2,3-b]pyridine-2-carboxamide +CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N 8TK 4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile +CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C 8TL propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate +c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F 8TM n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine +CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N 8TN 4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC 8TO (4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CC(=O)NCCNc1ccccc1 8TP n-[2-(phenylamino)ethyl]acetamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O 8TQ (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde +OCl 8TR hypochlorous acid +CC(=O)N1CCN(CC1)c2ccc(cn2)C#N 8TS 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile +CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO 8TU (6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid +CC(=O)N1CCN(CC1)c2ccncc2 8TV 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one +C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O 8TW (1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid +C12=C(NC(=O)NC1=O)NC(=S)N2 8TX 8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione +CC(=O)N1CCN(CC1)S(=O)(=O)C 8TY 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one +CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F 8TZ (~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3 8U0 n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide +CC(=O)NCc1ccc(cc1)OC 8U1 n-[(4-methoxyphenyl)methyl]acetamide +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3 8U2 2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide +CS(=O)(=O)Nc1ccc(c(c1)F)F 8U3 n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide +CC(=O)NCc1cccc(c1)Cl 8U4 n-[(3-chlorophenyl)methyl]acetamide +CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O 8U5 e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3 8U6 n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide +CNC(=O)NC1CCN(CC1)Cc2ccccc2 8U7 n-(1-benzylpiperidin-4-yl)-n'-methylurea +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O 8U8 (2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl 8U9 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid +CC(=O)NCc1ccccn1 8UA n-[(pyridin-2-yl)methyl]acetamide +c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3 8UB 3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N 8UC (3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile +CNC(=O)c1cccnc1N 8UD 2-amino-n-methylpyridine-3-carboxamide +CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O 8UE 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N 8UF 2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid +CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1 8UG ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UH 6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide +CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2 8UJ n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UK 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N 8UL 1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid +CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C 8UM 5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide +C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N 8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N 8UO 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid +[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N 8UP 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide +CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UQ 8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UR 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid +c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O 8US n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UU 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N 8UV n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide +C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O 8UX (2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N 8UY 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N 8UZ tc007 +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN 8V0 (2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid +Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C 8V1 (2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6 8V2 methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate +Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN 8V3 (2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid +CCn1cc(cn1)NC(=O)c2ccoc2 8V4 n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide +c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N 8V5 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide +Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C 8V6 (2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3 8V7 2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide +Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N 8V8 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8V9 (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O 8VB 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C 8VC (4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1c(ncnc1NC2CCNCC2)C(F)(F)F 8VD n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine +CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O 8VE (3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid +CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 8VF (4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +Cc1cccc(c1)C 8VH 1,3-dimethylbenzene +CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC 8VI n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide +CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N 8VJ 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC 8VK ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate +C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 8VL 4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C 8VM 5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O 8VN (3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8VO (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O 8VR (2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid +CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4 8VS 4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC 8VT ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8VU (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O 8VV (2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC 8VW ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C 8VX (r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide +c1cc(cc(c1)CBr)CBr 8VY 1,3-bis(bromomethyl)benzene +CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN 8W0 propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate +CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F 8W1 (5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one +c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl 8W2 2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one +CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl 8W3 2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid +CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O 8W4 n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide +CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C 8W5 (1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one +CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl 8W6 4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid +c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O 8W7 (3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione +C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F 8W8 2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide +CN1c2ccc(cc2N(C1=O)C)CN 8W9 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one +CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl 8WA n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine +COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC 8WB 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one +Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N 8WC 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile +c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5 8WD n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O 8WE (2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide +CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O 8WF 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol +c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl 8WG n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide +c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5 8WH 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid +c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 8WJ (2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide +c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F 8WK 5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one +c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5 8WM (2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide +CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O 8WN ~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide +CN1CC(=CC=C1OC)C(=O)N 8WO 6-methoxy-1-methyl-2h-pyridine-3-carboxamide +c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N 8WP 2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide +C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O 8WQ (2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2 8WR (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione +CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C 8WS (2s)-2,6-diacetamido-n-methyl-hexanamide +CSc1[nH]c2c(ncnc2n1)N 8WT 8-methylsulfanyl-7~{h}-purin-6-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C 8WU (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one +CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl 8WV dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium +c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N 8WW 6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine +Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N 8WX 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile +CC(CC[C@@H](C(=O)O)N)(O)O 8WY 5,5-dihydroxy-l-norleucine +Cc1cc(c2c(c1)nc(o2)N)c3ccco3 8WZ 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C 8X0 (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N 8X1 5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O 8X2 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one +C(CS(=O)(=O)O)O 8X3 2-hydroxyethylsulfonic acid +c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O 8X5 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N 8X6 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O 8X8 ~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N 8XA 9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine +Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XB (6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XC 4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one +Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC 8XE 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1c(ncnc1N)C(F)(F)F 8XF 6-(trifluoromethyl)pyrimidin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 8XG 2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one +COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O 8XH 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6 8XJ 4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC 8XK 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one +[C-]#[N+]/C=C\c1c[nH]c2c1cccc2 8XL 3-[(z)-2-isocyanoethenyl]-1h-indole +CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC 8XM 2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide +Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XN (6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O 8XO 2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid +CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC 8XP 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1cc2c(ccc(c2nc1)O)C(=O)O 8XQ 8-hydroxyquinoline-5-carboxylic acid +Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4 8XR (3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O 8XS 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C 8XT ~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XU 1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O 8XV 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide +CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O 8XW [(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid +Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8XX (3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br 8XY 6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide +CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O 8XZ [(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F 8Y0 (e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine +c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4 8Y1 6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4 8Y2 2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide +Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N 8Y4 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N 8Y5 ~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F 8Y6 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid +Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N 8Y7 [(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N 8Y8 ~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8Y9 [(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate +Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2 8YA 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl 8YB ~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N 8YC (2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl 8YD 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO 8YE [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O 8YF (2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid +CCCCNC(=O)N1CCC(CC1)C 8YH ~{n}-butyl-4-methyl-piperidine-1-carboxamide +c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O 8YI (2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid +c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl 8YJ 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O 8YL (2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid +CC(=O)c1ccccc1Sc2ccccc2C(=O)O 8YM 2-[(2-acetylphenyl)sulfanyl]benzoic acid +C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O 8YN pseudoisocytidine +COc1cccc2c1oc(c2)C(=O)O 8YO 7-methoxy-1-benzofuran-2-carboxylic acid +CCCCCCCCCC=O 8YP decanal +Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN 8YQ (2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C1COC[C@H]1[C@@H](C(=O)O)N 8YR (2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid +C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N 8YT 1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide +Cc1cccc(c1CN)C 8YU (2,6-dimethylphenyl)methanamine +C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O 8YV 2-keto-d-gluconic acid +c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] 8YW ~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide +Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O 8YZ (2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid +Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C 8Z0 (4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N 8Z1 (4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8Z2 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC 8Z4 (4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1- +c1cc(cc(c1)I)CBr 8Z5 alpha-bromo-3-iodotoluene +C=C1C(=O)CC(CC1=O)c2cccs2 8Z6 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione +c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F 8Z7 n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F 8Z8 5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine +CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl 8ZA n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea +CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8ZB (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol +CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F 8ZD n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide +c1cc2c(cc1CO)OCCO2 8ZE 2,3-dihydro-1,4-benzodioxin-6-ylmethanol +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl 8ZH ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZJ 4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 8ZK ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C 8ZL (5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide +c1ccc(cc1)c2cc(n3c(n2)nnn3)O 8ZM 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl 8ZN ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide +C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2 8ZO prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate +c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O 8ZP (1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl 8ZQ 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C 8ZR ~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine +C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZS 4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl 8ZT ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide +CCCc1ccc(cc1)C(=O)O 8ZU 4-propylbenzoic acid +COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 8ZV 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl 8ZW ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc(cc1)C(=O)N 8ZX 4-methoxybenzamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl 8ZZ ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl 900 n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C 901 2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br 902 {[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 903 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid +CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F 904 n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide +[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N 905 (r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N 906 1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one +Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N 907 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC 908 4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C 909 n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide +CC(=O)NCCOCCOCCOCCOCCC(=O)O 90A 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl 90B 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O 90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O 90D methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl 90E 2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6 90F ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide +c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl 90G n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide +c1cc(ccc1c2c[nH]nc2NC(=O)CS)F 90J n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl 90K 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C 90L (1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F 90M n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl 90N 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C 90O (1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC 90P n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine +CC1=CC(=O)c2c(cccc2O)C1=O 90R 5-hydroxy-2-methylnaphthalene-1,4-dione +CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br 90S [(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl 90T (3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid +CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3 90V n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl 90W ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl 90Z ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 910 5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(O)(P(=O)(O)O)P(=O)(O)O 911 (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) +Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl 912 (2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide +c1cc(cc(c1)n2cccn2)CN 913 (3-pyrazol-1-ylphenyl)methanamine +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N 914 [(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO 915 (2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O 916 n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3 917 n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F 918 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC 919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide +CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3 91A 6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CN1CCN(CC1)c2cccc(c2)CN 91B 1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl 91D n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl 91E 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 91F 2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl 91G n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl 91H 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid +CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2 91J 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl 91K 2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O 91L 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5 91M (5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 91N [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC 91O 5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O 91P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CN(C)CCc1c[nH]c2c1c(ccc2)O 91Q 3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O 91R [[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl 91S (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O 91T [[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl 91U n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4 91V n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O 91W (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4 91X 3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4 91Y 3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N 920 4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 921 n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O 922 (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O 923 (5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one +c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N 924 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone +CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C 925 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide +Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 926 6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one +CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 927 n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide +c1cc(ccc1n2c(c(cn2)C#N)N)Cl 928 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 929 n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C 92A n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 92B (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl 92C (3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C 92D n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C 92E ~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O 92F 7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile +c1cc(ccc1c2csc(n2)N)O 92G 4-(2-amino-1,3-thiazol-4-yl)phenol +CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 92H ~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C 92I (3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5 92J n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)C(=O)O)N 92K isatinic acid +CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O 92L 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione +CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O 92M 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one +B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O 92N 4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde +CCc1cccc2c1[nH]cc2C3CCNCC3 92O 7-ethyl-3-(piperidin-4-yl)-1h-indole +COC(=O)c1c[nH]c2c1cccn2 92P 1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl 92Q ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2 92R 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F 92S 1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one +c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl 92T 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C 92U [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone +COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F 92V 1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN 92W 2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one +Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 92X 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3 92Y (1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol +C1C=C(C(=O)N=C1)N 92Z 5-azanyl-3~{h}-pyridin-6-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5 930 6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5 931 6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O 932 n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 933 2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C 934 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone +[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C 935 (e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-] 936 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione +CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F 937 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide +c1c(c(ncn1)Cl)N 938 4-chloranylpyrimidin-5-amine +Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N 939 1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O 93A [3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CNC(=S)NC1 93B 1,3-diazinane-2-thione +c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O 93C n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide +c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 93D (1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(c(nc1)N)Cl 93E 3-chloranylpyridin-2-amine +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC 93F (10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O 93G 9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine +COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O 93H 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4 93I 7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F 93J (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide +c1cc(c(cc1C(=O)N)N)N 93K 3,4-bis(azanyl)benzamide +Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O 93L (1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93M (3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) +CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N 93N 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile +Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC 93O 2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93P (3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name) +Cc1cccnc1N 93Q 3-methylpyridin-2-amine +CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C 93R ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93S n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) +Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O 93T 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid +Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC 93U 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O 93V 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 93W (2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid +COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO 93X (3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93Y n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O 93Z [(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C 940 (2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 941 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid +CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N 942 n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O 945 [(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O 946 4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol +CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 947 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide +C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 948 (1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C 949 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide +CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 94A (4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 94B (1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl 94C 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O 94D {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O 94E (3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl 94F 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl 94G n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide +c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 94H ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N 94I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 94J n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3 94K ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide +Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 94L 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N 94M 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine +c1cc(c(c(c1)Br)O)Br 94N 2,6-bis(bromanyl)phenol +c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O 94O 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O 94Q ~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate +C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 94R (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol +CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 94S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide +CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O 94T [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate +CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3 94U n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide +c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl 94V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide +COc1ccc2c(c1)sc(n2)N 94W 6-methoxy-1,3-benzothiazol-2-amine +C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O 94X (2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid +c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl 94Y n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide +c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N 94Z 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F 950 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl 951 2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4 952 5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione +c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl 953 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N 954 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4 956 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O 957 n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide +Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C 958 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione +CC(=O)CNC(=O)OCc1ccccc1 959 benzyl (2-oxopropyl)carbamate +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 95B azotochelin +c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-] 95C 4-nitro-2-[(phenylacetyl)amino]benzamide +Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95D 2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide +CC[C@@H](CO)NCCN[C@@H](CC)CO 95E ethambutol +CCc1c(nc(nc1N2CCOCC2)N)C 95F 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine +Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide +C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O 95H ~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide +c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O 95I n-(benzylcarbamothioyl)-l-histidine +c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95J n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide +CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N 95K 1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine +c1cc2c(cc1F)c(c(cn2)C(=O)NN)N 95L 4-amino-6-fluoroquinoline-3-carbohydrazide +CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95M n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide +CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N 95N 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine +Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O 95O (1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br 95P 4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide +c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N 95Q 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine +COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3 95R (4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C 95U n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4 95W 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione +Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O 95X (2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br 95Y n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O 95Z 2-amino-2-deoxy-alpha-d-mannopyranose +Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2 960 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 961 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +C[C@@H](CN(CCO)C[C@H](C)O)O 962 (2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol +COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O 963 (1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O 964 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid +c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid +CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC 966 [(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate +c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 967 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide +c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O 968 2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid +CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O 969 11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br 96A n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc(cc1)[C@H]2CCCN2 96B (2r)-2-phenylpyrrolidine +CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C 96C 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole +c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F 96D n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide +CCCN(CCCCCO)CCO 96E 5-[2-hydroxyethyl(propyl)amino]pentan-1-ol +CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O 96F 1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione +COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 96G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide +C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O 96H triisopropanolamine +CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N 96I (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide +Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br 96J n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide +CCCN(CCC)CCCCCCO 96K 6-dipropylamino-1-hexanol +Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C 96L (1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C 96M 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C 96N 4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide +Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 96O (1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside +c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F 96P (2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) +c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F 96Q (~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide +c1cc2c(cc(nc2c(c1)O)N)n3ccnc3 96R 2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol +CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC 96S 1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one +CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C 96T 3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol +c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N 96U 2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol +Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C 96V n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 96X n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide +Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F 96Y 1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine +C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N 96Z (2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid +CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1 970 (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one +CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5 971 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl 972 2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O 973 (5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one +Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F 974 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid +c1cc(c(cc1CCO)O)O 975 4-(2-hydroxyethyl)benzene-1,2-diol +CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O 976 (2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid +c1ccc(cc1)c2c(c(nc(n2)N)O)Br 977 2-amino-5-bromo-6-phenylpyrimidin-4-ol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 979 5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine +CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O 97A 4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile +CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl 97B 9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine +CCCCC(=O)OCCOCCC[C@@H](CC)O 97C 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate +c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl 97E 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N 97H 2-(3-aminophenyl)-3~{h}-quinazolin-4-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4 97K 2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N 97L (2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O 97M (2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O 97N (2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC 97O 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O 97Q 2,8-bis(trifluoromethyl)quinolin-4-ol +c1ccc(c(c1)c2ccno2)O 97T 2-(1,2-oxazol-5-yl)phenol +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl 97U (2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid +CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide +c1cc2c(ccnc2cc1C(F)(F)F)O 97W 7-(trifluoromethyl)quinolin-4-ol +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N 97X (2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile +CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C 97Y n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4 97Z 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one +C[C@@H]1CC(=O)Nc2ccccc2N1 98 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O 980 (2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one +CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl 981 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O 982 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 983 (5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide +CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5 984 cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O 985 (2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid +C[C@@H]1CC(=O)Nc2ccccc2N1 986 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 987 n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4 988 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline +CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C 989 2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid +C[C@@H](c1ccccc1)N 98B (1s)-1-phenylethanamine +COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC 98C n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide +C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98D 1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 98E (s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide +C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98G 1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C 98H (5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione +C(CO)C(=O)CC(=O)O 98J 5-hydroxy-3-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)Cl 98K 2-chloranyl-1~{h}-benzimidazole +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O 98M 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C 98N (s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide +C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 98P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide +COc1cc2cc[nH]c2cc1C(F)(F)F 98Q 5-methoxy-6-(trifluoromethyl)-1~{h}-indole +CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC 98R [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate +COC(=O)c1ccc(c(c1)I)O 98T methyl 3-iodanyl-4-oxidanyl-benzoate +COC(=O)c1cc(cc(c1)O)C(=O)OC 98W dimethyl 5-oxidanylbenzene-1,3-dicarboxylate +c1ccc2c(c1)c(c[nH]2)C#N 98Z 1~{h}-indole-3-carbonitrile +Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F 990 (7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 991 2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl 992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid +CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 993 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4 994 4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine +CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1 995 4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O 996 n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC 997 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide +C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC 998 n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide +[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N 999 (3s)-3-hydroxy-d-aspartic acid +Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N 99A n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide +CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5 99B 5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide +Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO 99C (2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate +CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C 99E ~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O 99J 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] 99K 3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O 99L 1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O 99M 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one +C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C 99N [(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O 99O 1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N 99P d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N 99R 6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N 99S methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate +C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N 99T l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 99U 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O 99V 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO 99X 1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O 99Y 4-carboxy-d-phenylalanine +Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 99Z 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3 9A0 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O 9A3 (2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one +C/C=C\CO 9A4 (2z)-but-2-en-1-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N 9A5 (2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C 9A6 7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine +C/C=C/CO 9A7 (2e)-but-2-en-1-ol +CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9A8 2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one +COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O 9AA (5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br 9AB 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid +c1ccc2c(c1)c(c3ccccc3n2)C=O 9AC 9-acridinecarbonyl +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N 9AD 9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +C[C@@H](CCCC(C)C)NC(C)C 9AE (2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine +CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC 9AF dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate +CNCc1ccc(cc1)Oc2ccccc2 9AG n-methyl-1-(4-phenoxyphenyl)methanamine +CCCN(CCC)CCCC#N 9AH 4-(dipropylamino)butanenitrile +C=CCNC=S 9AI n-prop-2-en-1-ylthioformamide +C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8 9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one +CC(C)(CNCCO)N 9AK n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O 9AL (2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O 9AM 9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O 9AN 2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one +CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3 9AO n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide +c1ccc2c(c1)cc(c3c2cccc3)N 9AP 9-aminophenanthrene +CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9AQ 2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one +COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O 9AR 9-hydroxy aristolochic acid +C[C@H]([C@@H](C(=O)N)N)O 9AT (2s,3r)-2-amino-3-hydroxy-butanamide +CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C 9AU 4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4 9AW 2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one +C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C 9AX (2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +Cc1ccc(c(c1)N)N 9AY 4-methylbenzene-1,2-diamine +CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O 9AZ (2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O 9B0 [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate +CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C 9B1 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4 9B2 2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one +c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O 9B3 (2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid +C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O 9B4 (2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O 9B5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC 9B6 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O 9B7 3',3'-cdimp +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O 9B8 (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC 9BA n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide +C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N 9BB trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid +COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4 9BD 2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine +c1ccc(cc1)CNC=S 9BE n-benzylthioformamide +CC(=O)CCc1c[nH]c2c1cccc2 9BF 4-(1~{h}-indol-3-yl)butan-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N 9BG 2',5'-gpap +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O 9BH (2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O 9BJ 3',3'-cdump +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O 9BK (2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O 9BL methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate +Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC 9BM 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O 9BN (2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O 9BO (2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate +CC(C)C(=O)N[C@](C)(CCN)C(=O)O 9BP 4-amino-n-(2-methylpropanoyl)-d-isovaline +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O 9BR 3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde +c1ccnc(c1)c2ncccn2 9BS 2-(pyridin-2-yl)pyrimidine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O 9BT (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O 9BU (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate +c1ccc2c(c1)c(n3c(n2)nnn3)O 9BV tetrazolo[5,1-b]quinazolin-9-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O 9BW (2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O 9BX 3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde +c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3 9BY [2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid +CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C 9BZ (3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C0 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide +C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl 9C1 2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O 9C2 [(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate +CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C3 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O 9C4 (2s)-2-hydroxy-3-epiquinic acid +CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4 9C6 9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C8 2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one +Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl 9C9 2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide +c1ccc2c(c1)c3ccccc3[nH]2 9CA 9h-carbazole +CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl 9CB 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CC (3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O 9CD 2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N 9CE 2-(2-aminophenyl)-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CF (3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1cc2cccc3c2c(c1)COC3=O 9CG 1h,3h-naphtho[1,8-cd]pyran-1-one +CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C 9CH 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione +COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 9CJ 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 9CK 1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea +c1ccc(cc1)CCl 9CL (chloromethyl)benzene +CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N 9CM (2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2 9CO [cobr(appy)-biot]br +CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N 9CP (2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N 9CQ 2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C 9CR (9cis)-retinoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N 9CS (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC 9CT ~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide +C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CU (3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F 9CV 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O 9CW (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CX (3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3 9CY n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O 9CZ (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D0 n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5 9D1 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol +CCC(CO)(CO)CO 9D2 2-ethyl-2-(hydroxymethyl)propane-1,3-diol +CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D3 n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4 9D4 n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine +CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2 9D5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one +CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4 9D6 n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5 9D7 [4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc +CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl 9D8 4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide +c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O 9D9 [5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid +c1c[nH]c2c1ncnc2N 9DA 9-deazaadenine +Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3 9DB (2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide +C([C@@H](CS)S)O 9DC (2s)-2,3-disulfanylpropan-1-ol +c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N 9DE 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide +c1c[nH]c2c1N=C(NC2=O)N 9DG 9-deazaguanine +CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2 9DH 2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 9DI 9-deazainosine +CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O 9DJ 3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid +CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O 9DK 3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O 9DN dansyl-l-asparagine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl 9DP (3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C(c1[nH]nnn1)[C@@H](C(=O)O)N 9DQ (2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3 9DR 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O 9DS dansyl-l-sarcosine +C[C@](Cc1ccccc1F)(C(=O)O)N 9DT (2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid +C[C@@H](CS)C(=O)NCc1ccccc1 9DU (2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide +CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC 9DW (2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid +C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O 9DX (2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +c1cnccc1c2csnn2 9DY 4-(1,2,3-thiadiazol-4-yl)pyridine +Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C 9DZ (2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide +C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O 9E0 (5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N 9E1 2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide +Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl 9E2 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F 9E3 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC 9E4 4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide +Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C 9E5 3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide +c1c(csc1Cl)C(=O)O 9E6 5-chloro thiophene-3-carboxylic acid +C(CCNCS)C[C@@H](C(=O)O)N 9E7 n~6~-(sulfanylmethyl)-l-lysine +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N 9E8 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +c1cc(sc1C(=O)O)Cl 9E9 5-chloro thiophene-2-carboxylic acid +Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8 9EA 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid +C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl 9EB 4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C 9EC (1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium +C(CCC(=O)N)CC(=O)N 9EE adipamide +CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 9EF n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl 9EG n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea +c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N 9EI 5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5 9EJ n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5 9EK ~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide +COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N 9EL (2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile +CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F 9EM 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3 9EN ~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide +c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3 9EO (3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide +CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O 9EP (2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(=O)c1c(cccc1O)O 9EQ 1-[2,6-bis(oxidanyl)phenyl]ethanone +CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C 9ER n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine +CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC 9ES n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide +Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O 9ET murrayamine-i +Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C 9EU 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O 9EV 6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine +c1ccc2c(c1)c(no2)O 9EW 1,2-benzoxazol-3-ol +C[C@@H](CO)CS 9EX (2s)-2-methyl-3-sulfanyl-propan-1-ol +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9EY methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cn1c(cc(n1)c2ccccc2)N 9EZ 2-methyl-5-phenyl-pyrazol-3-amine +c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2 9F0 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline +Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F 9F1 methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O 9F2 ceftriaxone +C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O 9F3 (2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F 9F4 (1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O 9F5 (2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid +c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O 9F6 (2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one +CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9F7 methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cc1cn(c2c1cccc2)CCC(=O)O 9F8 3-(3-methylindol-1-yl)propanoic acid +CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC 9F9 n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide +C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC 9FA methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +C1C[C@@H]([C@@H](C1)N)C(=O)O 9FB (1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid +Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N 9FC 6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide +C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9FD methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1C(=O)O)c(n[nH]2)Br 9FE 3-bromanyl-1~{h}-indazole-5-carboxylic acid +Cn1c(ccc1c2ccc(cc2F)O)C#N 9FG 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile +Cc1c(cnn1c2ccccc2)C(=O)O 9FH 5-methyl-1-phenyl-pyrazole-4-carboxylic acid +COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O 9FJ 3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid +c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N 9FK 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide +c1ccc-2c(c1)Cc3c2cccc3 9FL 9h-fluorene +CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC 9FM n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O 9FN 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 9FO 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O 9FQ (3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FR (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5 9FS 5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +COc1ccc(cc1)[C@H]2CCC(=O)NC2=O 9FT (3r)-3-(4-methoxyphenyl)piperidine-2,6-dione +CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FU (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4 9FV 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3 9FX 3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide +Cc1cn(nn1)CCC[C@@H](C(=O)O)N 9FZ (2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid +c1ccc(c(c1)c2cccc(c2O)O)N 9G0 2'-amino[1,1'-biphenyl]-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N 9G1 [(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium +CCc1cn(nn1)CCC[C@@H](C(=O)O)N 9G2 (2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid +c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3 9G3 7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one +CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 9G4 1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide +CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl 9G5 (3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one +COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5 9G6 n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O 9G7 methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate +C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4 9G9 5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole) +Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C 9GA n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCC/C(=C/COP(=O)(O)O)/C 9GB [(~{e})-3-methylhex-2-enyl] dihydrogen phosphate +c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl 9GD 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid +CC(C)CCCCCCCCC/C=C/C(=O)O 9GE (~{e})-13-methyltetradec-2-enoic acid +CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O 9GF 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol +CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O 9GH 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid +COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC 9GJ n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O 9GK 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid +CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl 9GL 5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N 9GM 2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one +CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GN 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O 9GP n-(hydroxyacetyl)-beta-d-glucopyranosylamine +CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GQ 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6 9GS 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide +C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GT 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid +c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3 9GU (1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone +CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC 9GV 1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide +CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GW 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid +COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 9GX 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 9GY 3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F 9GZ 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +c1ccn(c1)c2c(cc(c(c2I)O)CO)I 9H2 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol +c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 9H3 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C 9H4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I 9H5 [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone +CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4 9H6 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7 9H7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F 9H8 1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide +c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F 9H9 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +COC(=O)CCC(=O)OC 9HB dimethyl fumarate +Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O 9HC [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate +C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O 9HD 1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N 9HE 1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C 9HF 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC 9HG n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4 9HH ~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N 9HI (3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid +CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 9HJ 6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] 9HK 4-[(4-nitrophenyl)methyl]benzenesulfonamide +c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4 9HL n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC 9HN ~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O 9HO (9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid +c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4 9HP 9-(4-hydroxyphenyl)-2,7-phenanthroline +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C 9HQ (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O 9HR 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4 9HS 7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC 9HT (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide +CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 9HU 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate +C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO 9HV {2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9HW (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +c1c[nH]c2c1N=CNC2=O 9HX 9-deazahypoxanthine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N 9HY n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC 9HZ methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O 9I2 4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O 9I5 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 9I7 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O 9I8 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O 9IB 3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N 9ID 6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide +C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl 9IG 3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine +c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IK ~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C 9IM 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2 9IN n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide +COc1ccc(cc1)Nc2c3cc[nH]c3ncn2 9IO ~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N 9IP n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine +COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IS ~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl 9IV ~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9IY [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N 9J0 3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide +CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O 9J1 n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide +Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 9J2 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CCOC(=O)CCC(=O)O 9J3 4-ethoxy-4-oxobutanoic acid +C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N 9J4 4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 9J5 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +CCOC(=O)CCCCC(=O)O 9J6 6-ethoxy-6-oxohexanoic acid +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C 9J7 1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9J8 (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide +B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O 9JA (~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine +C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O 9JB 3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O 9JD methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate +C(CCO)CCO 9JE pentane-1,5-diol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O 9JF n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide +CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3 9JG prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate +c1ccc(cc1)Cc2ccc(cc2)C(=O)N 9JH 4-benzylbenzamide +B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JJ [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)NC(=O)c2ccccc2S 9JK ~{n}-phenyl-2-sulfanyl-benzamide +B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JM [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 9JN ~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl 9JO n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N 9JP n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide +CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JQ 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol +CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N 9JR 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one +Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N 9JS 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide +c1ccc(cc1)NC(=O)c2ccccc2[SeH] 9JT ~{n}-phenyl-2-selanyl-benzamide +Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5 9JU n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide +C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JW 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol +c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl 9JX (4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one +CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C 9JY (2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol +C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 9JZ (3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide +C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9K0 (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one +Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO 9K1 (2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol +Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F 9K2 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N 9K3 1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol +CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 9K4 2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide +c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K5 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate +C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3 9K6 5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N 9K7 2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N 9K9 2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F 9KB 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N 9KD n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl 9KE 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2 9KF ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N 9KG n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide +Cc1c(cc(nc1CC(=O)O)O)O 9KH 6-carboxy methyl-4-hydroxy-2-pyridinol +C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9KJ {[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid +CCCC[C@@H](C(=O)O)NC 9KK n-methyl norleucine +C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O 9KL (2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid +Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F 9KO n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O 9KP (e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine +c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 9KQ 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline +C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KR (e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one +CC(=O)Nc1ccccc1O 9KS n-(2-hydroxyphenyl)acetamide +CN1c2ccccc2N(C(=O)C1=O)C 9KT 1,4-dimethylquinoxaline-2,3-dione +c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O 9KU 5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9KV (2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 9KW ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KX (2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO 9KY (2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCOC(=O)c1c(c2ccccc2nc1C)C 9KZ ethyl 2,4-dimethylquinoline-3-carboxylate +C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C 9L1 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid +c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9L2 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 9L3 [(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl 9L4 3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C 9L5 ~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9L7 (2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9L8 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9L9 (2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl 9LA 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9LB (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol +CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5 9LD ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate +c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9LE (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O 9LF (2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate +c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F 9LG n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O 9LH tunicamycin +Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN 9LI 2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine +c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9LJ (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide +Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl 9LK ~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4 9LL (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide +CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 9LM 2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4 9LN 1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide +c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9LO 4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl 9LP trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate +B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid +c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F 9LS (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C 9LT 1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide +Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4 9LU 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid +c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl 9LV 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3 9LW 1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one +COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O 9LX 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol +c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F 9LY (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F 9LZ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2 9M0 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 9M1 ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F 9M2 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N 9M3 n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide +CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl 9M4 n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide +c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9M6 2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4 9M7 n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide +Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C 9M8 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN 9M9 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C 9MA 2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine +c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F 9MB 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol +c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9MC 2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl 9MD (2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide +c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9ME (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone +Cn1cnc2c1nc(nc2O)N 9MG 9-methylguanine +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN 9MH 2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide +c1cc(oc1)c2nc(n(n2)C(=O)N)N 9MJ 5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide +Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9MK (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone +CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9ML 2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl 9MM 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr 9MN (2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F 9MP (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 9MQ {benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO 9MR (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside +Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl 9MS (2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C 9MT 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3 9MU (r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide +c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br 9MV 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 9MW methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3 9MX (r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9MY (2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide +c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O 9MZ 2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9N0 2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5 9N1 (2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N 9N2 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile +CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3 9N3 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol +Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C 9N4 (2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide +CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C 9N5 (2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6 9N7 4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid +c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F 9N8 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide +C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9N9 (e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one +COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9NA (2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide +CC(=O)c1ccc(cc1)NC(=O)CS 9NB ~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide +c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9ND (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 9NE dansyl-l-glutamate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O 9NF dansyl-l-phenylalanine +CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5 9NG n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide +Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F 9NH n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide +COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F 9NJ trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid +c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O 9NK (2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F 9NL (2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid +c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F 9NM (2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide +c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F 9NO 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6 9NP (2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F 9NQ leniolisib +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O 9NR dansyl-l-arginine +C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 9NS (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2 9NT ~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide +C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C 9NU (2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide +CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 9NV dansyl-l-norvaline +c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl 9NW 2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3 9NX 5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol +[C@@H](C(=O)O)(C(F)(F)F)O 9O0 (2r)-3,3,3-trifluoro-2-hydroxypropanoic acid +C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl 9O1 3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide +CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O2 ~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide +C(=O)(C(C(F)(F)F)(O)O)O 9O3 3,3,3-trifluoro-2,2-dihydroxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N 9O4 (3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate +CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O5 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F 9O6 (2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 9O7 [(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2 9O8 [5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9O9 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol +c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3 9OB ~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4 9OC 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(=O)CCCCC\C=C/C(=O)O 9OD (2z)-9-oxodec-2-enoic acid +COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N 9OE (5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C 9OF 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N 9OG 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile +CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O 9OH (trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid +Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C 9OJ 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O 9OK 2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C 9OL 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OM 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +C[C@@H](CCC(=O)O)C(=O)O 9ON (2~{s})-2-methylpentanedioic acid +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OQ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O 9OR 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid +COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OS 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OT (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4 9OU 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +C([C@@H](C(=O)N)N)[SeH] 9OW 3-selanyl-l-alaninamide +C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC 9OZ n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O 9P0 4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N 9P1 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine +CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7 9P2 1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine +Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C 9P3 1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F 9P4 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide +Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N 9P7 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9P8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O 9P9 1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN 9PA 5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PB (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F 9PC 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide +CCCCCCCCCCCCP(=O)(C)C 9PD dodecyldimethylphosphine oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN 9PE (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O 9PF 1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 9PG 4-nitrophenyl alpha-d-galactopyranoside +c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PH (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 9PI bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +CC[C@H]1[C@H](COC1=O)Cc2cncn2C 9PL (3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one +c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N 9PM 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile +c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PN (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc[n+](cc1)[O-] 9PO pyridine-n-oxide +C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] 9PP 2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO 9PQ 4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CNC(=O)[C@@H]1CCCN1 9PR n-methyl-l-prolinamide +c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PT (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O 9PW [4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9PX 1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O 9PY (2r)-2-methyl-3-dehydroquinic acid +Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O 9Q0 1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O 9Q5 5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9Q6 1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O 9Q8 tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium +C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 9Q9 1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O 9QA 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one +C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl 9QB chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5 9QD n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9QF [(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O 9QG methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside +[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O 9QJ (1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O 9QK 2-(3-fluorophenyl)quinoline-4-carboxylic acid +c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO 9QN (1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC 9QO 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N 9QQ 6-hydroxybenzimidazolyl-norcobamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC 9QR 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O 9QT 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid +c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4 9QU n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O 9QV uridine 2',5'-bis(dihydrogen phosphate) +CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl 9QW (4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O 9QY methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 9QZ [(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R0 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid +C(CC[C@@H](C(=O)O)N)CCC(=O)O 9R1 (2s)-2-aminooctanedioic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 9R2 [(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R3 2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid +CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N 9R4 d-gamma-glutamyl-2-methyl-l-alanine +c1cc2c(cc1Cl)OC[C@H](O2)CN 9R5 [(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine +C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N 9R7 l-gamma-glutamylglycine +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5 9R8 6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl 9R9 1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol +Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid +Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO 9RB (2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O 9RC 5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine +C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2 9RD (cyclohex-1-ene-1,2-diamine)platinum(2+) +Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F 9RF {2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc(cc1)C(C(F)(F)F)(O)O 9RH 2,2,2-trifluoromethyl acetophenone hydrate +CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2 9RI (2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal +c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3 9RK ~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide +C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O 9RL (2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol +CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F 9RM 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O 9RN 3,6-anhydro-d-galactose +C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 9RO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RP 1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol +C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O 9RQ [2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC 9RR 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine) +Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4 9RS n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN 9RT 4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide +Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C 9RU [1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium +CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RV n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide +C[C@@H](c1ccccc1)C(=O)O 9RW (2~{s})-2-phenylpropanoic acid +c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O 9RX 2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O 9RY n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC 9RZ 3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N 9S0 (4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O 9S1 n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5 9S3 1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone +CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9S4 (2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9S5 (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone +CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O 9S6 3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O 9S7 5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2 9S8 non-cubane [4fe-4s]-cluster +C(CBr)S(=O)(=O)O 9SB 2-bromanylethanesulfonic acid +c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O 9SD (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O 9SE (2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O 9SF 3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F 9SG (2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SI [(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9SJ 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F 9SK 5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N 9SL [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O 9SM (2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 9SN 6-fluoroanthraniloyl-amp +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O 9SP (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 9SQ dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O 9SR (1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) +c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N 9SS (3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile +CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3 9ST 4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one +c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2 9SU 2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one +CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4 9SV 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione +CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC 9SW methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid +c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SY [(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O 9SZ c42 h32 o8 p2 +c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F 9T0 5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid +C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O 9T1 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid +CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F 9T2 ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate +c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 9T6 4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O 9T7 (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C[NH+](C)CCCNC(=O)CC[NH3+] 9T8 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium +CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3 9T9 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +c1ccc2c(c1)C(=O)c3ccccc3C2=O 9TA 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone +c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F 9TB (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9TC (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O 9TD 1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide +COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4 9TE 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O 9TF purpurin +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O 9TG 3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid +C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C 9TH pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride +Cc1c(n2ccccc2n1)c3ccn[nH]3 9TI 2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine +B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O 9TJ 3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid +Cn1ccnc1C(=O)O 9TK 1-methylimidazole-2-carboxylic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC 9TL 2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O 9TM (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O 9TN debutanoyl thapsigargin +COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4 9TO n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4 9TP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside +c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O 9TQ 5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid +c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N 9TR n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine +CC/C=C/C(=O)O 9TS (2e)-pent-2-enoic acid +Cn1ccc2c1ccc(c2)N 9TT 1-methylindol-5-amine +c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N 9TU n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine +c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4 9TV 3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide +c1cc(c(cc1C(=O)N)Cl)F 9TW 3-chloranyl-4-fluoranyl-benzamide +C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N 9TX n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine +C1CC1(C(=O)O)C(=O)O 9TY cyclopropane-1,1-dicarboxylic acid +Cc1ccc(cc1C(=O)O)F 9TZ 5-fluoranyl-2-methyl-benzoic acid +C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N 9U0 n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine +CC(C)c1c(ncs1)C=O 9U2 5-propan-2-yl-1,3-thiazole-4-carbaldehyde +CN(C)CCN(C)C 9U3 n,n,n',n'-tetramethylethane-1,2-diamine +CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9U4 3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C 9U5 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid +c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N 9U6 3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1 9U7 1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4 9U8 ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate +C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1 9U9 n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UA 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C 9UB [(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-] 9UC n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine +CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UD 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C 9UE jasplakinolide +c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N 9UF n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine +Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C 9UG (2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide +[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N 9UK cobaltcarborane +CN\1CCC/C1=C\2/C=Nc3c2cccc3 9UL (3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole +CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C 9UM 3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O 9UN 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide +C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl 9UO 6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N 9UP methyl (7-carbamimidoylnaphthalen-1-yl)carbamate +CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N 9UQ (3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione +C1=SC(=O)NC1=O 9UT 1,3-thiazole-2,4-dione +c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N 9UV (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +C1=NC(=S)NC1=O 9UW 2-sulfanylideneimidazol-4-one +O=[MoH2]1S[MoH2](=O)S1 9UX dioxo(di-mu-sulfide)dimolybdenum +Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O 9UY 3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1CC(=O)NC(=O)C1 9UZ piperidine-2,6-dione +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-] 9V0 (2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 9V1 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid +CC[C@]1(CC(=O)NC1=O)C 9V2 (3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione +Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C 9V3 2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone +c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl 9V5 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl 9V6 (2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid +c1ccc(cc1)NC(=O)O 9V7 phenylcarbamic acid +c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2 9V8 [3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate +CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O 9V9 1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one +C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO 9VA 3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide +c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N 9VC (2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid +CC([C@@H](C=O)N)O 9VD (2s,3s)-2-amino-3-hydroxybutanal +CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F 9VE [(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate +C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N 9VF (2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid +C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O 9VG methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O 9VH [(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid +Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VK (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br 9VL (2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid +Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VN (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)CNc2ccccn2 9VO n-(phenylmethyl)pyridin-2-amine +CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9VP 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid +c1cnn(c1)Cc2ccc(cc2)CO 9VQ [4-(pyrazol-1-ylmethyl)phenyl]methanol +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F 9VR (2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7 9VS cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol +CCNc1nnc(s1)Cn2c(cc(n2)C)C 9VT 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine +Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O 9VU (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one +c1cc(cnc1)CNC(=O)NC2CCCCC2 9VW 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F 9VY 2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide +CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1 9VZ ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate +Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC 9W1 (4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone +CC(=O)NC1CCN(CC1)c2ncccn2 9W2 ~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide +Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N 9W3 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile +c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5 9W4 4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide +Cc1cc(n(n1)Cc2ccccc2)N 9W5 5-methyl-2-(phenylmethyl)pyrazol-3-amine +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2 9W6 ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate +CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O 9W7 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol +CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3 9W8 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one +Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O 9WA (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +CC1=CC(=O)C(=C(N1)C)c2ccccc2 9WB 2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one +CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O 9WD 1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one +c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3 9WE 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C 9WG 4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N 9WH 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine +Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N 9WI (4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile +C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C 9WJ 4-acetamido-4,6-dideoxy-beta-d-mannopyranose +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N 9WK 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide +CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9WM (2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 9WN (2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid +c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5 9WO n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide +Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F 9WP 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide +Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC 9WR [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl 9WS n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide +C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O 9WT cefepime +C(CN)C(=O)N[C@@H](CN)C(=O)O 9WV beta-alanyl-3-amino-l-alanine +CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC 9WX ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O 9WY 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol +c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO 9WZ 2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside +c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3 9X0 n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide +CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl 9X1 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium} +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5 9X2 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide +CNCc1cccc(c1)CN2CCOCC2 9X3 n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine +Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N 9X4 (5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +CC1=NCc2ccccc2-c3c1cccc3 9X5 5-methyl-7~{h}-benzo[d][2]benzazepine +C(C(=O)O)SCC(=O)O 9X6 thiodiglycolic acid +CCOC(=O)C(=O)C 9X7 ethyl 2-oxopropanoate +CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 9X8 thioacetyl-adp-ribose +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N 9X9 3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine +CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C 9XB pamamycin 607 +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N 9XC 3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F 9XE 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N 9XF 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide +Cc1cccc(c1)Nc2ccccc2 9XG 3-methyl-n-phenylaniline +c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N 9XH (2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione +c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N 9XJ 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4 9XK ~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br 9XM [(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate +NP(=S)(O)O 9XN phosphoramidothioic o,o-acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl 9XP 1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine +c1cc(cc(c1)NC(=[NH2+])N)C(=O)O 9XQ [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium +c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 9XR [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 9XS (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2 9XT 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N 9XV 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O 9XW ~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC 9XX (2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 9XY endoxifen +Cn1nc(nn1)c2cc(cnc2N)c3ccsc3 9XZ 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 9Y0 (2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate +c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F 9Y1 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide +c1ccc(cc1)/C=C\C=O 9Y3 (2z)-3-phenylprop-2-enal +Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2 9Y5 1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +c1ccc(cc1)/C=C/C=O 9Y6 (2e)-3-phenylprop-2-enal +c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N 9Y7 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O 9Y8 3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F 9Y9 tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N 9YA 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3 9YB (3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F 9YD 2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O 9YF (2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate +CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N 9YG 1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O 9YH 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl 9YJ 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O 9YK 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CCOC(=O)[C@@H](C)O 9YL ethyl (2r)-2-oxidanylpropanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O 9YM [4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 9YN (2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide +Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C 9YO 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole +c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N 9YP {[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid +CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C 9YQ 4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide +CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4 9YS 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide +CC(=O)NCC[C@@H](C(=O)O)N 9YT (2~{s})-4-acetamido-2-azanyl-butanoic acid +COCCOCCOCCOCCOCCOCCOCCO 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol +CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O 9YW (alpha-d-glucopyranosyloxy)acetic acid +c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4 9YY 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC 9YZ methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +c1c(c([nH]c1C(=O)NCCCO)Br)Br 9Z0 4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O 9Z1 (3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +CCC(=O)Nc1ccc(cc1)c2ncccn2 9Z2 ~{n}-(4-pyrimidin-2-ylphenyl)propanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O 9Z3 n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine +CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N 9Z4 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O 9Z6 (5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC 9Z7 (3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +c1ccc(cc1)NC(=O)CCCCCNC(=O)CS 9Z8 6-(2-mercaptoacetylamino)-n-phenylhexanamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1 9Z9 (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en +C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZA [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CCC(=O)N1CCN(c2c1cccc2)CC 9ZB 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one +CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC 9ZC n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide +C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZD [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CC(=O)c1ccc2c(c1)OCCO2 9ZE 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone +c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F 9ZF 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea +CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 9ZG (phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate +C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl 9ZJ (2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C 9ZK (4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone +COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F 9ZM methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate +CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6 9ZP 4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide +Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2 9ZQ ru(phen)2(dppz-11,12-me2) +c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl 9ZS n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 9ZT (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O 9ZV 3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4 9ZW 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one +CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4 9ZX 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one +CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4 9ZY 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid +c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O 9ZZ erythrosin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A adenosine-5'-monophosphate +CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N A00 n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O A01 [(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A02 (10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A03 (10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F A04 5-[2-(trifluoromethoxy)phenyl]-2-furoic acid +c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O A05 5-(2-chloro-4-nitrophenyl)-2-furoic acid +c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl A06 (3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3 A07 n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl A08 (2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile +c1ccc(cc1)S(=O)(=O)NO A09 n-hydroxybenzenesulfonamide +C([C@@H](C(=O)O)N)C(=O)OC=O A0A (2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid +c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br A0B phloxine b +Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C A0C 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide +CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4 A0D n-adamantan-2-yl-1-ethyl-d-prolinamide +C(=C(/C(=O)O)\N)\O A0G (2z)-2-amino-3-hydroxyprop-2-enoic acid +CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl A0H n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide +C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4 A0J 3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O A0K 1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C A0L 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one +CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C A0O 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N A0P 9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine +CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4 A0Q 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide +COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O A0R 2',4'-dihydroxy-2-methoxychalcone +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F A0S (5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F A0T [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C A0U ~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate +B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O A0V 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid +C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O A0W 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O A0Y phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I A0Z 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl A11 ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N A12 phosphomethylphosphonic acid adenosyl ester +Cc1cc(nc(n1)N)C(F)(F)F A13 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine +CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C A14 (1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid +c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O A15 3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO A16 4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose +Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5 A17 n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide +c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl A18 5-(2-chlorobenzyl)-2-furoic acid +c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl A19 5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid +CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC A1A 6-amino hexanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O A1B 1-deoxy-alpha-l-xylulofuranose-1,2-borate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C A1C 1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5 A1E (5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C A1F 1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N A1G (2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid +c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4 A1H 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2 A1I n-(cyclopent-3-ene-1-carbonyl)-l-histidine +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O A1J 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl A1K [4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC A1L [2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O A1M phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C A1N (2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C A1O quinabactin +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O A1P 9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O A1Q methyl l-glycero-alpha-d-manno-heptopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N A1R 5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O A1S isopentyl-coenzyme a +CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 A1T 5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide +Cc1cnc(c(n1)C)O A1U 3,5-dimethylpyrazin-2-ol +c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O A1V 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid) +CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O A1X ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate +Cc1cc(nc(c1C#N)N2CCOCC2)C A1Y 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile +c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O A1Z vadadustat +C(CN)CS(=O)(=O)O A20 3-aminopropane-1-sulfonic acid +C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F A21 (5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N A22 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N A23 adenosine-5'-phosphate-2',3'-cyclic phosphate +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3 A24 (3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside +c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2 A25 18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O A26 (2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4 A27 n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide +CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3 A28 n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(cc(c1)O)C(=O)C(=O)O A29 2-(3-hydroxyphenyl)-2-oxo-ethanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O A2B l-xylulofuranose-1,2-borate +[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O A2C 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N A2D bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5 A2E (5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +c1[nH]c2c(nc(nc2n1)F)N A2F 2-fluoroadenine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O A2G 2-acetamido-2-deoxy-alpha-d-galactopyranose +[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A2H 4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C A2I 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide +c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F A2J 3-(trifluoromethyl)quinoxalin-2(1h)-one +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7 A2K (8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O A2L 3'-o-methyoxyethyl-adenosine 5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A2M 2'-o-methyladenosine 5'-(dihydrogen phosphate) +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O A2N [(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3 A2O n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N A2P adenosine-2'-5'-diphosphate +C1CC=CC(=O)C1 A2Q cyclohex-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N A2R [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C A2T n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F A2V 1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4 A2W 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole +Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C A2X 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide +c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4 A2Y (3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium +CC1=CC(=O)N(c2c1ccc3c2OCO3)C A2Z 6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A31 n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3 A32 (3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside +C(C(=O)O)C(CC(=O)O)(C(=O)O)N A33 2-(carboxymethyl)-d-aspartic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A34 n6-methyl deoxyadenosine 5'-monophosphate +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A35 2-amino deoxyadenosine 5'-monophosphate +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F A36 n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide +c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl A37 2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A38 8-oxy deoxyadenosine-5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A39 2'-o-methyl-adenosine 5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A3A 2'deoxy-alpha-anomeric-adenosine-5'-phosphate +C=C[C@H](C(=O)[O-])[NH3+] A3B d-vinylglycine +C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C A3C 2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O A3D 3-acetylpyridine adenine dinucleotide +CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4 A3E 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine +COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N A3G 3'-deoxy-3'-(glycylamino)adenosine +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C A3H 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O A3J 2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N A3K 6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N1CCCC1)N A3M 2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one +C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A3N 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N A3P adenosine-3'-5'-diphosphate +c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N A3Q 4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N A3R adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N A3S serine-3'-aminoadenosine +C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O A3T 3'-deoxy-3'-(l-threonylamino)adenosine +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O A3V (1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F A3W 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine +C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O A3X n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone +c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F A3Y 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A40 n2-methyl 2'-deoxyadenosine 5'-monophosphate +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2 A41 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid +COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC A42 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N A43 3'-amino deoxyadenosine 5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A44 2'-o-methyoxyethyl-adenosine 5'-monophosphate +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O A45 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid +c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl A46 5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide +CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A47 n6-methoxy adenosine 5'-monophosphate +B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O A48 4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O A49 n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5 A4A [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one +COc1ccccc1c2ccc(cc2Cl)CN A4B [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C A4C 9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide} +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N A4D 5'-thioadenosine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C A4E 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O A4F 5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO A4G [(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol +CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C A4H (2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC A4I (1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O A4J 6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C A4K (~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid +CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O A4L 9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium +Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N A4M [3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone +Cc1ccccc1c2ccc(cc2Cl)CN A4N [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine +c1cc(c(cc1O)O)/C=N/NC(=S)N A4O n-(2,4-dihydroxybenzylidene)-thiosemicarbazone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N A4P 6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin +CCc1ccccc1c2ccc(cc2Cl)CN A4Q [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C A4R n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1 A4S (2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(c(c1)c2ccc(cc2Cl)CN)F A4T [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine +c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N A4V 3-benzyladenine +c1cc(c(c(c1)Cl)F)NC(=O)CCS A4W ~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C A4X 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide +Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O A4Y (2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid +CCCCOc1ccc(cc1)CC(=O)NO A4Z 2-(4-butoxyphenyl)-n-hydroxyacetamide +CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A50 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +c1ccc(cc1)N\C=C\2/CCOC2=O A51 (3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one +[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A52 3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N A53 5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl A54 2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile +c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F A55 n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide +c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br A56 6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine +Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C A57 1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium +CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O A58 4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid +CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A59 2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N A5A '5'-o-(n-(l-alanyl)-sulfamoyl)adenosine +COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F A5B alisertib +C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O A5C alpha-l-talofuranose +c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A5D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol +c1cc(sc1)C2=NNC(=O)CC2 A5E 3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N A5F n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide +CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N A5G 1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine +c1cc(ccc1C2=CSC3=NCCN23)Cl A5H 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole +COc1cc(cc(c1O)OC)/C=N/NC(=S)N A5I n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone +c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O A5J (1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol +c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F A5K 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N A5L 9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N A5M 2'-amine-cytidine-5'-monophosphate +[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O A5N o-carboxy-4-imino-l-homoserine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A5O adenine arabinose-5'-phosphate +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O A5P arabinose-5-phosphate +c1cc(ccc1c2c(snn2)N)C(F)(F)F A5Q 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine +C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N A5R amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A5T (1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N A5U methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O A5V (1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +COc1ccccc1C2CCN(CC2)C(=O)C3CCC3 A5W cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O A5X 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5 A5Y 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1c(c(no1)c2c(cccc2Cl)Cl)CO A5Z [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N A60 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 A61 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl A62 (3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one +COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 A63 2-(4-methoxyphenyl)-4h-chromen-4-one +CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 A64 4'-isopropylflavone +CSc1c(c(sn1)SC)CO A65 [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol +c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N A66 2-aminoethyllysine-carbonylmethylene-adenine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C A68 n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide +c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5 A69 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N A6A 2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A6B (3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N A6C 2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A6D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol +c1cc(ccc1OCCC(=O)N2CCSCC2)F A6E 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one +c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N A6G 2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl A6H 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine +C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 A6I n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F A6J (3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6K (3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O A6L 2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6M (3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O A6N 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole +CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC A6O (2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O A6P 6-o-phosphono-alpha-d-allopyranose +CCNC(=S)N/N=C/c1ccc(c(c1)O)O A6Q n-(3,4-dihydroxybenzylidene)-thiosemicarbazone +CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C A6R arsenoplatin-1 +COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5 A6S 1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A6T (1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O A6U 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O A6V (1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol +COC(=O)c1c(cc(s1)c2cccs2)N A6W methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate +Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C A6Y (s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N A6Z 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C A70 n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide +C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN A71 (6-aminohexylamine)(triammine) platinum(ii) complex +CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC A72 trans-bis(hexylamine)-(diammine) platinum(ii) complex +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br A73 2-(4-bromophenyl)-4h-chromen-4-one +COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC A74 2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3 A75 2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A76 n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A77 n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4 A78 n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A79 n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C A7A (r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +CC1=CC(=O)Nc2c1cccc2OC A7B 8-methoxy-4-methylquinolin-2(1h)-one +c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br A7C 3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N A7D 5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine +C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A7E 3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5 A7G 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole +CCOc1ccc2c(c1)sc(n2)C A7H 6-ethoxy-2-methyl-1,3-benzothiazole +CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl A7I 5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide +c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium +CCNC(=S)N/N=C/c1cc(ccc1O)O A7L n-(2,5-dihydroxybenzylidene)-thiosemicarbazone +Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C A7M {1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol +CCOc1ccc(cc1)[C@@H](C)N A7N (1~{r})-1-(4-ethoxyphenyl)ethanamine +COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O A7O (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone +c1ccc(cc1)Oc2ccc(cn2)CO A7Q (6-phenoxypyridin-3-yl)methanol +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N A7R [[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C A7S 1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl A7T (1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +c1cc2cc(cnc2c(c1)N)O A7W 8-amino-3-quinolinol +CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC A7Y n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide +COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F A7Z 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate +CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C A80 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid +C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-] A81 6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one) +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4 A82 2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC A83 tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate +CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F A84 2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4 A85 n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O A86 (3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate +CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3 A87 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol +COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5 A88 (5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N A89 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5 A8B n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine +CSCCC(=O)O A8C 3-(methylsulfanyl)propanoic acid +COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C A8D 5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide +C=C(C[C@@H](C(=O)O)N)Br A8E (2s)-2-amino-4-bromopent-4-enoic acid +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3 A8F 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one +C1CO[C@@H]1C(=O)O A8G (2s)-oxetane-2-carboxylic acid +c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O A8H (3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione +c1cc(ccc1O)Sc2ccc(cc2)O A8K 4-(4-hydroxyphenyl)sulfanylphenol +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O A8L 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N A8M 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine +c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+] A8N n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane +Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O A8O 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile +CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N A8P 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol +CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+] A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium +CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C A8S (2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N A8U propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O A8V (1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C A8W pregnenolone sulfate +c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F A8X 3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O A8Z tetrahydrodeoxycorticosterone +c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O A90 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid +Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O A91 3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one +c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N A92 2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide +Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F A93 4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate +Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O A94 n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4 A95 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide +c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F A96 6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide +CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C A97 n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide +CCSc1nnc(s1)NC(=O)OC A98 methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate +C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A99 5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine +c1cc(ccc1c2ccc(o2)C(=O)NN)Cl A9B 5-(4-chlorophenyl)furan-2-carbohydrazide +CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9C n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N A9D (2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate +CCc1ccc(cc1)OCC(=O)N2CCCCC2 A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone +CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9F n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C A9G 1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C A9H abietic acid +FP(F)(F)(F)(F)F A9J hexafluorophosphate anion +c1ccc(c(c1)c2ccc(cc2Cl)CN)O A9K 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol +CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C A9L n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide +CCCCCCCCCCCCCCCCCCCC(=O)NCCO A9M n-(2-hydroxyethyl)icosanamide +Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C A9N n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide +CCc1c(c(no1)C)c2ccccc2 A9O 5-ethyl-3-methyl-4-phenyl-1,2-oxazole +Cc1c(c(on1)C)c2ccccc2 A9P 3,5 dimethyl-4-phenyl-1,2-oxazole +COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC A9Q 3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4 A9R 7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine +CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C A9S (2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl A9T 2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide +c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N A9U 2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O A9V (1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O A9W [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium +Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4 A9Y (3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O A9Z 2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c3ccccc3[nH+]2)N AA 9-aminoacridine +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6 AA0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide +CCOC(=O)CCC(=O)N(CC(=O)O)N AA1 [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid +CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N AA2 4-aryl-2-phenylamino pyrimidine +CCC(C(=O)O)N AA3 2-aminobutyric acid +C(C[C@@H](C(=O)O)N)CO AA4 2-amino-5-hydroxypentanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O AA5 n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine +CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O AA6 3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6 AA7 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine +C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O AA8 anguinomycin a, bound form +CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O AA9 n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C AAA (2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O AAB 2'-deoxy-ribofuranose-5'-monophosphate +CC(=O)NCC(=O)O AAC acetylamino-acetic acid +C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AAD (2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium +CC(=O)CC(=O)O AAE acetoacetic acid +COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN AAF methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate +CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O AAG n-alpha-l-acetyl-arginine +c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-] AAH 1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid +CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N AAI trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C AAK ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O AAL 3,6-anhydro-alpha-l-galactopyranose +c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AAM alpha-adenosine monophosphate +c1cc(ccc1CC(=O)O)[N+](=O)[O-] AAN 2-(4-nitrophenyl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO AAO acarbose derived hexasaccharide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C AAP alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide +CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N AAQ 6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N AAR arginineamide +CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N AAS 3-actoxymercuri-4-aminobenzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N AAT s-adenosyl-1,8-diamino-3-thiooctane +COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5 AAU (5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5 AAV n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide +COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5 AAX n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C AAY 8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate +CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC AAZ n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine +COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O AB0 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C AB1 n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC AB2 [1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate +CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N AB3 3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O AB4 2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide +[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O AB5 2(s)-amino-6-boronohexanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N AB6 (2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide +CC[C@@H](C(=O)O)N AB7 alpha-aminobutyric acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C AB8 (1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N AB9 (2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide +CC[C@@H](C(=O)O)N ABA alpha-aminobutyric acid +CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O ABB (2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO ABC modified acarbose hexasaccharide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O ABD acarbose derived hexasaccharide +C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O ABE alpha-d-abequopyranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O ABF 5-o-phosphono-beta-d-arabinofuranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N ABG adenosine 5'-[beta,gamma-methylene]triphosphate +[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O ABH 2(s)-amino-6-boronohexanoic acid +c1cc2c(cc1C(=[NH2+])N)[nH]cn2 ABI 5-amidino-benzimidazole +CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N ABJ 3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol +C([C@@H](C(=O)C(=O)O)N)C(F)F ABK 3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O ABL (2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside +C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ABM methyl phosphonic acid adenosine ester +c1ccc(cc1)CN ABN benzylamine +COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 ABO 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N ABP 8-bromoadenosine-5'-diphosphate +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F ABQ [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone +c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABR (r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABS (s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O ABT 3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate +C(CC(=O)O)CN ABU gamma-amino-butanoic acid +c1ccc2c(c1)nc(s2)N ABV 1,3-benzothiazol-2-amine +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C ABW 5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C ABX 5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline +COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN ABY n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine +c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl ABZ 4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile +CC(=O)c1ccccc1 AC0 1-phenylethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO AC1 4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +c1nc2c(n1COCCO)N=C(NC2=O)N AC2 9-hyroxyethoxymethylguanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AC4 aminoimidazole 4-carboxamide ribonucleotide +C1CCC(C1)(C(=O)O)N AC5 1-aminocyclopentanecarboxylic acid +CC(=O)c1ccc(cc1)O AC6 p-hydroxyacetophenone +COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N AC7 dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O AC8 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate +CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C AC9 trisacetylacetonatochromium(iii) +C(CCC(=O)O)CCN ACA 6-aminohexanoic acid +C[C@@H]([C@H](C(=O)O)N)C(=O)O ACB 3-methyl-beta-d-aspartic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+] ACC n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine +CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O ACD arachidonic acid +CC=O ACE acetyl group +c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl ACF 3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO ACG modified acarbose pentasaccharide +CC(=O)OCC[N+](C)(C)C ACH acetylcholine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO ACI 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol +c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-] ACJ 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N ACK 2',3'- cyclic amp +C(C[C@@H](C(=O)CCl)N)CNC(=N)N ACL deoxy-chloromethyl-arginine +CC(=O)N ACM acetamide +CC(=O)C ACN acetone +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ACO acetyl coenzyme *a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N ACP phosphomethylphosphonic acid adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N ACQ diphosphomethylphosphonic acid adenylate ester +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO ACR alpha-acarbose +C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S ACS 1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one +CC(=O)[O-] ACT acetate ion +CC=O ACU acetaldehyde +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACV l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine +CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACW d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O ACX alpha-cyclodextrin (cyclohexa-amylose) +CC(=O)O ACY acetic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N ACZ cis-amiclenomycin +CN1C[C@H](C2=CC(=O)C(=O)C=C21)O AD1 (3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N AD2 2'-deoxy-adenosine-3'-5'-diphosphate +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N AD3 3-deaza-adenosine +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O AD4 (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate +c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5 AD5 n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine +CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br AD6 4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O AD7 octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside +c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3 AD8 1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N AD9 adp metavanadate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O ADA alpha-d-galactopyranuronic acid +c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl ADB 4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile +c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N ADC (1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine +CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC ADD 2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid +c1[nH]c2c(n1)c(ncn2)N ADE adenine +CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O ADF 4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O ADG o-3-amino-3-deoxy-alpha-d-glucopyranose +C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O ADH 1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N ADI 2',3'-dideoxyadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N ADJ nicotinamide-adenine-dinucleotide-adenylate intermediate +Cn1cnc(c-2ncnc12)N ADK 3-methyl-3h-purin-6-ylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 ADL (1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid +C1C2CC3CC1CC(C2)C3 ADM adamantane +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N ADN adenosine +C1C2CC3CC1CC(C2)C3=O ADO adamantanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N ADP adenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N ADQ adenosine-5'-diphosphate-glucose +C1[C@H](CO[C@@H]([C@H]1O)CN)N ADR 2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N ADS adenosine-5'-(dithio)phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C ADT 3'-deoxy-3'-acetamido-thymidine +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO ADU 3'-deoxy-3'-acetamido-uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N ADV alpha-beta methylene adp-ribose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N ADW adenosine-5'-ditungstate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N ADX adenosine-5'-phosphosulfate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N ADY 3'-oxo-adenosine +Cn1cnc2c1ncnc2N ADZ 9-methyl-9h-purin-6-amine +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C AE0 ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate +CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O AE1 2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AE2 aetiocholanolone +CCOCCOCCO AE3 2-(2-ethoxyethoxy)ethanol +CCOCCOCCOCCOCCOCCO AE4 3,6,9,12,15-pentaoxaheptadecan-1-ol +C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N AE5 n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid +Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5 AE6 6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one +Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4 AE7 (3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O AE8 (s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one +C(CO)N=[N+]=[N-] AE9 2-azidoethanol +C([C@H](C(=O)N)N)SCC(=O)O AEA (2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid +c1cc(c(cc1CCN)C2CCCCC2)O AED 4-(2-aminoethyl)-2-cyclohexylphenol +CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 AEE 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1cc(ccc1CCN)O AEF 4-(2-aminoethyl)phenol +C[C@H](Cc1ccc(cc1)O)N AEG 4-[(2r)-2-aminopropyl]phenol +CCc1cc(ccc1O)CCN AEH 4-(2-aminoethyl)-2-ethylphenol +C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N AEI threonine-aspartic ester +c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O AEJ (1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol +CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O AEK 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O AEL 2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +[H]/N=C/CN AEM 2-aminoethanimidic acid +CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O AEN 5-(1-sulfonaphthyl)-acetylamino-ethylamine +c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O AEO 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O AEP 3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid +CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC AEQ methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O AER abiraterone +c1cc(ccc1CCN)S(=O)(=O)F AES 4-(2-aminoethyl)benzenesulfonyl fluoride +C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O AET n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate +c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3 AEU n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine +CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4 AEV 2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one +CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N AEW 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one +CCCCNc1cc2c3ccccc3[nH]c2cn1 AEX n-butyl-9h-beta-carbolin-3-amine +c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3 AEY 7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O AEZ (4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol +c1ccc-2c(c1)Cc3c2ccc(c3)N AF 2-aminofluorene +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F AF0 n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide +CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO AF1 4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N AF2 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) +F[Al](F)F AF3 aluminum fluoride +CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N AF4 2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5 AF5 (7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid +c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2 AF6 n-benzyl-9h-beta-carbolin-3-amine +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C AF7 (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 AF8 3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide +CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC AF9 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide +CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O AFA n-[7-methyl-oct-2,4-dienoyl]asparagine +C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O AFB 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one +CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N AFC (3r,12r)-3-amino-12-methyltetradecanoic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O AFD alpha-d-allopyranose +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O AFE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3 AFF 2-acetylaminofluorene-3-yl +c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N AFG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N AFH adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose +c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O AFI 2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O AFJ (2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide +Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC AFK [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O AFL alpha-l-fucose +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F AFM 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O AFN 8,9-dihydro-9-hydroxy-aflatoxin b1 +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AFO octyl alpha-d-arabinofuranoside +C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O AFP 1,6-di-o-phosphono-alpha-d-fructofuranose +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N AFQ 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O AFR alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride +C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N AFS n-[(1r)-1-phosphonoethyl]-l-alaninamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2 AFT aflatoxin b1 +c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4 AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5 AFV 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide +COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F AFW [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N AFX (4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O AFY (3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid +[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N AFZ 2,4-bis(4-amidinophenyl)furan +[Ag+] AG silver ion +CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5 AG0 (6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+] AG1 ruthenium pyridocarbazole +C(CCNC(=N)N)CN AG2 agmatine +[H]/N=C(/N)\NCCCCNCCCN AG3 1-{4-[(3-aminopropyl)amino]butyl}guanidine +COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N AG4 n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N AG5 n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3 AG6 n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C AG7 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester +C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C AG8 s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate +C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O AG9 agmatidine +CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O AGA (1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 AGB n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O AGC alpha-d-glucose +c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N AGD 3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine +Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2 AGE (2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide +C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 AGF o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate +CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O AGG tirofiban +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O AGH n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O AGI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO AGJ n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide +C1[C@H]([C@H]([C@H](NN1)CO)O)O AGK (3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N AGL 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N AGM 5-methyl-arginine +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N AGN phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O AGO 2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O AGP 2-deoxy-2-amino glucitol-6-phosphate +[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N AGQ 3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O AGR [(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N AGS phosphothiophosphoric acid-adenylate ester +C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN AGT s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine +C(=N)(N)NN AGU aminoguanidine +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O AGV (2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol +c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O AGW [(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate +C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl AGX (1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate +CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3 AGY 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C AH0 2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid +c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 AH1 aha001 +C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AH2 1-deoxy-alpha-d-mannopyranose +CCOc1cc2c(cc1OC)CCN(C2)C=O AH3 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO AH4 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide +CCOc1cc2c(cc1OC)CN(CC2)C=O AH6 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO AH7 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide +C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O AH8 (2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol +COc1cc2c(cc1OC)CN(CC2)C=O AH9 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C(CCC(=O)O)CCN AHA 6-amino hexanoic acid +[C@H]([C@@H](C(=O)N)O)(C(=O)O)N AHB beta-hydroxyasparagine +c1cc(ccc1CCC(=O)O)N AHC 4-aminohydrocinnamic acid +C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN AHD 4-amino-1-hydroxybutane-1,1-diyldiphosphonate +C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N AHE 2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid +COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O AHF 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol +C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHG 2,5-anhydro-1,6-di-o-phosphono-d-glucitol +CCCC[C@H]([C@@H](C(=O)O)O)N AHH amino-hydroxyheptanoic acid +C(C[NH3+])CN/C(=N/O)/N AHI 3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium +CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3 AHK 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium +[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N AHL n-hydroxy-l-argininamide +C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHM 2,5-anhydro-1,6-di-o-phosphono-d-mannitol +CC(=O)NCCc1c[nH]cn1 AHN n-[2-(1h-imidazol-4-yl)ethyl]acetamide +CC(=O)N(CCC[C@@H](C(=O)O)N)O AHO n-acetyl-n-hydroxy-l-ornithine +CCCCC[C@@H](C(=O)O)N AHP 2-amino-heptanoic acid +C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O AHQ (2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid +C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O AHR alpha-l-arabinofuranose +CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O AHS (3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid +c1cc(ccc1C[C@@H](CCC(N)O)N)O AHT 4-(2,5-diamino-5-hydroxy-pentyl)-phenol +C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I AHU 1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol +CCc1ccc2ccc(cc2c1)OC AHW 2-ethyl-7-methoxy-naphthalene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N AHX seryl-hydroxamate-adenosine monophosphate +CCCCCCC[C@H]([C@@H](C(=O)O)O)N AHY (2s,3r)-3-amino-2-hydroxydecanoic acid +Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AHZ adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 AI (2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide] +c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O AI1 n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide +[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O AI2 3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol +COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5 AI3 2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N AI5 (2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid +CCCCCCCOc1cccc(c1)C(=O)O AI7 3-(heptyloxy)benzoic acid +CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O AI8 ceftaroline, bound form +C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AI9 [(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN AIA (1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CC(C)(C(=O)O)N AIB alpha-aminoisobutyric acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C AIC (2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AIF [(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AIG hexyl 3-amino-3-deoxy-beta-d-galactopyranoside +C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIH (2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol +C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIJ (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C AIK n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide +c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3 AIL n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide +C1CC(=C2C=NC(=N2)N)CCC1N AIM 4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine +CC(=O)Oc1ccccc1C(=O)O AIN 2-(acetyloxy)benzoic acid +B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O AIO [(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid +c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N AIQ 2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N AIR 5-aminoimidazole ribonucleotide +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N AIS 5-aminoimidazole ribonucleoside +C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIT (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIU (2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O AIV hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+) +c1ccc(cc1)C[SeH] AIW phenylmethaneselenol +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C AIX (2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl AIZ 3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid +CC(=O)Nc1ccc2c(c1)sc(n2)NC AJ1 n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide +Cc1cc(nc2c1cccc2)O AJ2 4-methylquinolin-2-ol +C=CC[S@@](=O)C/C=C/S AJ3 3-(prop-2-ene-1-sulfinyl)-propene-1-thiol +CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F AJ4 7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC AJ5 3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N AJ6 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 AJ7 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O AJ8 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid +CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C AJ9 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one +CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O AJA (6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid +Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C AJB 2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2 AJD 5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid +C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O AJE (3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid +CC(=O)N=C1Nc2ccc(cc2S1)C#N AJG n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide +c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O AJH 4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid +Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F AJI 3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide +CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O AJJ 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3 AJK (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4 AJL (1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O AJM ajmaline +C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC AJN ajmalicine +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 AJP digitonin +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O AJQ [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid +CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO AJR 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol) +c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2 AJU 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid +C1=CC2=C(C(=O)N=C2C(=C1)F)NO AJV 7-fluoro-3-(hydroxyamino)-2h-indol-2-one +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4 AJX (1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +Cc1cc\2c(cc1Br)NC(=O)/C2=N\O AJY (3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4 AJZ 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F AK0 (1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F AK1 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3 AK2 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea +Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F AK3 1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3 AK4 (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid +COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3 AK5 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide +COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4 AK6 4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F AK7 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F AK8 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O AKA 10-decarboxymethylaclacinomycin a (dcmaa) +CC(=O)[C@@H](C(=O)O)N AKB 2-amino-3-ketobutyric acid +CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O AKC 2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2 AKD 5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate +c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO AKE 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +C(CC(=O)O)C(=O)C(=O)O AKG 2-oxoglutaric acid +c1cc2ccoc2c(c1)C(=O)O AKH 1-benzofuran-7-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6 AKI 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F AKJ 1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C/C=C\N AKK (1z)-prop-1-en-1-amine +C([C@@H](C(=O)CCl)N)C(=O)O AKL 3-amino-5-chloro-4-oxopentanoic acid +C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O AKM [(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N AKN (2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide +Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC AKO (1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3 AKP n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide +C=CC(=O)O AKR acrylic acid +CCCCCC(=O)NCCCCC#C AKS n-(hex-5-yn-1-yl)hexanamide +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O AKT 10-decarboxymethylaclacinomycin t (dcmat) +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4 AKU (1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O AKV {3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O AKW [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid +C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C AKX (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O AKY methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate +C([C@@H](C(O)O)N)C(=O)O AKZ (3s)-3-amino-4,4-dihydroxybutanoic acid +[Al+3] AL aluminum ion +C([C@@H](C(=O)O)N)N(N=O)O AL0 3-[hydroxy(nitroso)amino]-l-alanine +COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N AL1 3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL2 3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL3 3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC AL4 (r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL5 thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide) +COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N AL6 2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide +CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL7 (s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL8 (r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL9 n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide +C[C@@H](C(=O)O)N ALA alanine +C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 l-alaline c-terminal deprotonated fragment +C[C@@H](C(=O)O)[NH-] ALA_LEO2H l-alaline c-terminal protonated fragment +C[C@@H](C(=O)O)N ALA_LFOH l-alaline free neutral +C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW l-alaline free zwitterion +C[C@@H]([C-]=O)[NH-] ALA_LL l-alaline - linking embedded fragment +C[C@@H]([C-]=O)[NH3+] ALA_LSN3 l-alaline n-terminal protonated fragment +CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C ALB delta-2-albomycin a1 +C1CCC(CC1)C[C@@H](C(=O)O)N ALC 2-amino-3-cyclohexyl-propionic acid +CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ALD n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide +CNC[C@@H](c1ccc(c(c1)O)O)O ALE l-epinephrine +F[Al-](F)(F)F ALF tetrafluoroaluminate ion +[H]/N=C(\N)/NCCCC(=O)O ALG 4-carbamimidamidobutanoic acid +CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 ALH 6-phenyl[5h]pyrrolo[2,3-b]pyrazine +C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O ALI methyl n-acetyl allosamine +C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N ALJ cyclo-(l-arginine-l-proline) inhibitor +C[C@H](O)P(=O)(O)OC ALK methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O ALL beta-d-allopyranose +C[C@@H](C(=O)C)N ALM 1-methyl-alaninal +c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N ALN naphthalen-2-yl-3-alanine +C[C@@H]([C@@H](C(=O)O)N)O ALO allo-threonine +CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C ALP 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)C(=O)O ALQ 2-methyl-propionic acid +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O ALR alrestatin +[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N ALS (3s)-3-(sulfooxy)-l-serine +C[C@@H](C(=S)O)N ALT thioalanine +CC(=O)[P@](=O)(O)OC ALU methyl hydrogen (s)-acetylphosphonate +C[C@@H](C(O)O)N ALV (2s)-2-aminopropane-1,1-diol +CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC ALW methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O ALX 2-o-phosphono-alpha-d-glucopyranose +CC(=O)NCCCC[C@@H](C(=O)O)N ALY n(6)-acetyllysine +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN ALZ 2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester +[Am+3] AM americium ion +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5 AM0 n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine +Cc1c(c(no1)C(=O)O)CC(C(=O)O)N AM1 (s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid +CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O AM2 apramycin +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O AM3 (3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +CS(=O)(=O)c1ccc(cc1)C(=N)N AM4 4-(methylsulfonyl)benzenecarboximidamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F AM5 4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F AM6 2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6 AM7 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one +Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C AM8 n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide +Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C AM9 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O AMA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +CO\C=C/[C@@H](C(=O)O)N AMB l-2-amino-4-methoxy-cis-but-3-enoic acid +C1CCC(CC1)C[NH3+] AMC aminomethylcyclohexane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N AMD aspartyl-2'-deoxy-adenosine-5'-monophosphate +CC(=O)N[C@@H](CCSC)C(=O)O AME n-acetylmethionine +CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O AMF (3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O AMG methyl alpha-d-galactopyranoside +C1CC(CCC1CN)C(=O)O AMH trans-4-aminomethylcyclohexane-1-carboxylic acid +CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O AMI allosamizoline +CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1 AMJ n~2~-acetyl-n-benzyl-o-methyl-l-serinamide +CCCCCN AML amylamine +CC(C)C[C@H](C[Si](CN)(O)O)C=O AMM (2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O AMN methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N AMO aspartyl-adenosine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AMP adenosine monophosphate +Cc1c(c(no1)O)C[C@@H](C(=O)O)N AMQ (s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid +c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N AMR 3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide +c1cc(c(cc1S(=O)(=O)N)[Hg])N AMS 3-mercuri-4-aminobenzenesulfonamide +c1csc(n1)N AMT 2-aminothiazole +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C AMU n-acetyl-beta-muramic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C AMV methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N AMW adenosine monotungstate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O AMX amidocarboxymethyldethia coenzyme *a +CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AMY antimycin +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AMZ aminoimidazole 4-carboxamide ribonucleotide +CCC[C@@H](C(=O)O)NC(=O)C AN0 n-acetyl-l-norvaline +Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O AN1 3-(10-methyl-anthracen-9-yl)-propionic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N AN2 amp phosphoramidate +c1ccc2cc3ccccc3cc2c1 AN3 anthracene +c1cc(cnc1)C2=NCCCC2 AN4 3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C(=O)CCCCN AN5 5-amino-1-pyridin-3-ylpentan-1-one +CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AN6 5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O AN7 (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid +CCCCCCC[C@@H](C(=O)O)N AN8 (2s)-2-aminononanoic acid +CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC AN9 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C ANA methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C ANB androsta-1,4-diene-3,17-dione +c1ccc2cc3c(cccc3N)cc2c1 ANC anthracen-1-ylamine +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C AND 3-beta-hydroxy-5-androsten-17-one +c1[nH]c2c(n1)c(ncn2)N ANE adenine +c1ccc2c(c1)cc3ccccc3c2O ANF anthrone +c12c([nH]c(n1)N)N=C(NC2=O)N ANG 8-aminoguanine +Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC ANH methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate +c1cc(ccc1C(F)(F)F)N ANI 4-(trifluoromethyl)aniline +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC ANJ (2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N ANK 9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine +c1ccc(cc1)N ANL aniline +CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O ANM anisomycin +COc1ccc(cc1)C(=O)O ANN 4-methoxybenzoic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ANO 5-beta-androstane-3,17-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N ANP phosphoaminophosphonic acid-adenylate ester +c1cc2cccc3c2c(c1)C(=O)C3=O ANQ acenaphthenequinone +CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C ANR anhydroretinol +CN(C)c1cccc2c1cccc2S(=O)(=O)O ANS 5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid) +Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O ANT anthramycin +C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O ANU 2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil +c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O ANV 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O ANW 2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-] ANX 2,5-dinitrophenol +CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC ANY 2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester +[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ANZ [(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate +CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C AO acridine orange +CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N AO1 (2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide +Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O AO2 n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O AO3 allosamidin +c1cnc(cc1C(=O)O)Cl AO4 2-chloropyridine-4-carboxylic acid +CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N AO5 n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide +CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O AO6 2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione +c1ccc2c(c1)C(=O)C=C(O2)C(=O)O AO7 4-oxo-4h-1-benzopyran-2-carboxylic acid +B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid +c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O AO9 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine +C(C(=O)O)ON AOA (aminooxy)acetic acid +c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N AOB (e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AOC 5'-o-prop-2-yn-1-yladenosine +c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O AOD 5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O AOE n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O AOF n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AOG octyl 3-amino-3-deoxy-beta-d-galactopyranoside +CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C AOH 8(1)-oh-chlorophyll af +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOI androsterone +c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O AOJ (3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C AOK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine +C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N AOL (1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O AOM 5-alpha-androstane-3-beta,17beta-diol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O AON 5-alpha-androstane-3-beta,17-alpha-diol +CCNc1nc(nc(n1)OC)NC(C)C AOO n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine +CCCCCONCC=O AOP pentyloxyamino-acetaldehyde +c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione +CC(=O)N[C@@H](CCCN)C(=O)O AOR n~2~-acetyl-l-ornithine +C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O AOS d-allose +c1ccc(cc1)NC(=O)C(=O)O AOT 2-oxidanylidene-2-phenylazanyl-ethanoic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C AOU (2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N AOV adp orthovanadate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O AOW [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOX (3beta,5alpha)-3-hydroxyandrostan-17-one +c1ccc(cc1)N/C=C/2\CCCOC2=O AOY (3e)-3-[(phenylamino)methylidene]oxan-2-one +CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O AOZ histopine +c1cc2ccc3ccc(c4c3c2c(c1)cc4)N AP n-1-aminopyrene +CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O AP0 acetyl pyridine adenine dinucleotide, reduced +CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O AP1 {3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N AP2 phosphomethylphosphonic acid adenosyl ester +CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C AP3 2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N AP4 7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N AP5 bis(adenosine)-5'-pentaphosphate +c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2 AP6 2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AP7 n1-protonated adenosine-5'-monophosphate +C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC AP8 (8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate +CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N AP9 (2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N APA (2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid +B(c1cccc(c1)N)(O)O APB m-aminophenylboronic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N APC diphosphomethylphosphonic acid adenosyl ester +Cc1cccc(c1)C[C@@H](C(=O)O)N APD 3-methylphenylalanine +c1ccc(cc1)C[C@H](N)NC(=O)O APE (1-amino-2-phenyl-ethyl)-carbamic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F APF 1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone) +C[C@](c1ccccc1)(C(=O)O)O APG atrolactic acid (2-phenyl-lactic acid) +c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N APH p-amidinophenyl-3-alanine +C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N API 2,6-diaminopimelic acid +c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2 APJ n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N APK 5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine +CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O APL n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide +c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N APM m-amidinophenyl-3-alanine +c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N APN 2-aminoethylglycine-carbonylmethylene-adenine +C([C@H](C(=O)O)N)P(=O)(O)O APO d-2-amino-3-phosphono-propionic acid +CC(=O)N1CCCC[C@H]1C(=O)O APP 1-acetyl-2-carboxypiperidine +CCCSCc1cc(cc2c1N=C(NC2=O)N)N APQ 2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N APR adenosine-5-diphosphoribose +C[C@@H](Cn1cnc2c1ncnc2N)O APS 9-hydroxypropyladenine, s-isomer +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O APT 2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N APU adenylyl-3'-5'-phospho-uridine-3'-monophosphate +C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O APV 6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N APW {5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N APX 2'-monophosphoadenosine-5'-diphosphoribose +c1ccnc(c1)CN APY 2-aminomethyl-pyridine +c1cc2c(cc1N)C(=O)NNC2=O APZ 4-aminophthalhydrazide +c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-] AQ0 2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one +CCCC1=CC(=O)NC(=N1)Nc2ccccc2F AQ1 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one +CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4 AQ2 n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O AQ3 n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine +COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C AQ4 [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5 AQ5 (6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O AQ6 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid +CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O AQ7 n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC AQ8 ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O AQ9 1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose +C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O AQA 4-deoxy-beta-l-threo-hex-4-enopyranuronic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C AQB n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N AQC 9,10-dioxo-9,10-dihydroanthracene-2-carboxamide +C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl AQD nemonapride +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5 AQE 2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole +CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 AQG 4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N AQH [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O AQJ (3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C(C[C@@H](C(=O)O)NCC(=O)O)CN AQK (2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C AQM n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O AQN 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)NC(=N2)N AQO 2-aminoquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N AQP adenosine-5'-tetraphosphate +C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O AQQ (2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] AQS n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC AQT ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4 AQU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea +C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C AQV 2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl AQW 2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-] AQY n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 AQZ n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide +[Ar] AR argon +c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O AR0 4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O AR1 (2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N AR2 arginyl-benzothiazole-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O AR3 cytarabine +C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N AR4 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C AR5 n~2~-(tert-butoxycarbonyl)-l-arginine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N AR6 [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +C(C[C@@H](C(O)O)N)CNC(=[NH2+])N AR7 amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O AR8 n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O AR9 (2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O ARA alpha-l-arabinopyranose +C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O ARB beta-l-arabinopyranose +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO ARC 3,7,11,15-tetramethyl-hexadecan-1-ol +Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C ARD c15-(r)-methylthienyl rapamycin +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO ARE acarbose derived pentasaccharide +C(=O)N ARF formamide +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG arginine +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2 l-arginine c-terminal deprotonated fragment +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H l-arginine c-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH12 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH22 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H_RNH1 l-arginine-c-terminal protonated fragment/side chain resonance alternate +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH12 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH22 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2_RNH1 l-arginine-c-terminal deprotonated fragment/side chain resonance alternate +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH l-arginine free neutral +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH12 l-arginine-free neutral/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH22 l-arginine-free neutral/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH_RNH1 l-arginine-free neutral/side chain resonance alternate +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW l-arginine free zwitterion +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH12 l-arginine-free zwitterion/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH22 l-arginine-free zwitterion/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW_RNH1 l-arginine-free zwitterion/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL l-arginine - linking embedded fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH12 l-arginine-linking embedded fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH22 l-arginine-linking embedded fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL_RNH1 l-arginine-linking embedded fragment/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3 l-arginine n-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH12 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH22 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3_RNH1 l-arginine-n-terminal protonated fragment/side chain resonance alternate +C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O ARH 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione +C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C ARI (2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N ARJ (2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O ARK n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C ARL 7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid +CC(=O)[C@H](CCCNC(=N)N)N ARM deoxy-methyl-arginine +C(CC=N)CC=O ARN 1-imino-5-pentanone +C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N ARO c-gamma-hydroxy arginine +C[C@H](Cn1cnc2c1ncnc2N)O ARP 9-hydroxypropyladenine, r-isomer +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O ARQ benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl ARR n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[As] ARS arsenic +[O-][As](=O)([O-])[O-] ART arsenate +CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O ARU 5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine +C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N ARV 5-n-allyl-arginine +CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O ARW methyl beta-d-arabinopyranoside +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ARX (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide +C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N ARZ (3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N AS 2-deoxy-adenosine -5'-thio-monophosphate +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O AS0 4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O AS1 argininosuccinate +C(C=O)[C@H](C(=O)O)N AS2 (2r)-2-amino-4-oxobutanoic acid +CCCc1cc(cc(n1)N)C AS3 4-methyl-6-propylpyridin-2-amine +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O AS4 aldosterone +Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO AS6 {4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol +c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N AS7 n4-(4-cyanobenzyl)-l-asparagine +CC(=O)OS(=O)(=O)O AS8 acetylsulfate +C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O AS9 n-[hydroxy(methyl)phosphoryl]-l-aspartic acid +C([C@@H](C=O)N)C(=O)O ASA aspartic aldehyde +C([C@@H](C(=O)O)N)C(=O)OCC(=O)O ASB aspartic acid-4-carboxymethyl ester +C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ASC ascorbic acid +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ASD 4-androstene-3-17-dione +CC(=O)NCCc1c[nH]c2c1cc(cc2)O ASE n-acetyl serotonin +CCCCS(=O)(=O)CCC(=O)O ASF 3-(butylsulphonyl)-propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O ASG 2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose +c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl ASH 3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine +C([C@@H](C(=O)[O-])N)C(=O)O ASI l-iso-aspartate +C([C@@H](CO)N)C(=O)O ASJ (3s)-3-amino-4-hydroxybutanoic acid +CC(=O)[C@H](CC(=O)O)N ASK dehydroxymethylaspartic acid +CC(C(=O)O)OC(=O)CC(C(=O)O)N ASL aspartic acid-4-carboxyethyl ester +c1ccn(c1)C(=O)C[C@@H](C(=O)O)N ASM 2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid +C([C@@H](C(=O)O)N)C(=O)N ASN asparagine +C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 l-asparagine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H l-asparagine c-terminal protonated fragment +C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH l-asparagine free neutral +C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW l-asparagine free zwitterion +C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL l-asparagine - linking embedded fragment +C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 l-asparagine n-terminal protonated fragment +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O ASO 1,5-anhydro-d-glucitol +C([C@@H](C(=O)O)N)C(=O)O ASP aspartic acid +C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 l-aspartic acid c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H l-aspartic acid c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH-])C(=O)[O-] ASP_LEO2_DHD2 l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH l-aspartic acid free neutral +C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 l-aspartic acid-free neutral/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW l-aspartic acid free zwitterion +C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] ASP_LFZW_DHD2 l-aspartic acid-free zwitterion/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL l-aspartic acid - linking embedded fragment +C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 l-aspartic acid-linking embedded fragment/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 l-aspartic acid n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O ASQ phosphoaspartate +c1cc(ccc1N)[As](=O)(O)O ASR 4-aminophenylarsonic acid +C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4 ASS (e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine +[O-][As]([O-])[O-] AST arsenite +C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O ASU 4'-thio-2'4'-dideoxyribofuranose-5'-phosphate +C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ASV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine +COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C ASW n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide +*=C(*)C[C@@H](C(=O)O)N ASX asp/asn ambiguous +CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O ASY (12e)-10-oxooctadec-12-enoic acid +CN(C)CCS(=O)(=O)O ASZ 2-(dimethylamino)ethanesulfonic acid +CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N AT1 (s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C AT2 ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate +CC(=O)SCC[N+](C)(C)C AT3 acetylthiocholine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N AT4 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine +C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl AT5 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone +Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N AT6 n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N AT7 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl AT8 2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F AT9 [[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C ATA atrazine glutathione conjugate +CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O ATC 9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O ATD thymidine-3'-phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C ATE 16,17-androstene-3-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N ATF phosphodifluoromethylphosphonic acid-adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N ATG phosphothiophosphoric acid-adenylate ester +C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-] ATH 4-hydroxy-aconitate ion +CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N ATI n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid +CCO[P@H](=O)O ATJ ethyl hydrogen phosphonate +c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O ATK (1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O ATL [(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-] ATM 3'-azido-3'-deoxythymidine-5'-monophosphate +CC(=O)CCl ATO chloroacetone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N ATP adenosine-5'-triphosphate +C1CSC(=N1)N ATQ 2-aminothiazoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N ATR 2'-monophosphoadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N ATS gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate +CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S ATT 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2 ATU 9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4 ATV 2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O ATW (1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N ATX (2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C ATY 3'-o-acetylthymidine-5'-diphosphate +CCNc1nc(nc(n1)Cl)NC(C)C ATZ 2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine +[Au+] AU gold ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N AU1 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine +c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl AU2 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium +[Au+3] AU3 gold 3+ ion +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N AU4 4,4'-(aminomethylene)bis(n,n-dimethylaniline) +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5 AU5 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one +Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O AU6 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid +C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5 AU7 (2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl AU8 [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 AUB 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid +C(#N)[Au]C#N AUC gold (i) cyanide ion +CC1=CC(=O)NS(=O)(=O)O1 AUD acesulfame +c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N AUE 6-(3-chlorophenyl)pteridine-2,4,7-triamine +CC[P-](CC)(CC)[Au+] AUF triethylphosphanuidylgold(1+) +c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N AUG 6-(3-bromophenyl)pteridine-2,4,7-triamine +CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3 AUH 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine +CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O AUI 3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one +Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO AUJ 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C AUK 1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O AUL 2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C AUN (2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O AUO (8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid +c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5 AUP 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine +C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC AUQ (2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide +CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C AUR aurovertin b +CCc1ccccc1c2c(cc(cc2Cl)CN)Cl AUT [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine +C1CC2C[C@H]1[C@@](C2)(C(=O)O)N AUU (1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid +c1ccc(c(c1)c2cccc(c2)C(=O)O)O AUV 3-(2-hydroxyphenyl)benzoic acid +CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl AUW 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O AUX 4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine +Cc1cc(sc1)CNc2cnccc2C(=O)O AUY 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid +Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C AUZ bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O AV0 2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N AV1 [(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N AV2 adenosine-5'-diphosphate-2',3'-vanadate +CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC AV3 4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline +CN(C)c1cccc(c1)c2cccc(c2)C(=O)O AV4 3-[3-(dimethylamino)phenyl]benzoic acid +CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O AV5 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O AV6 4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol +CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O AV7 3-(3-acetamidophenyl)benzoic acid +CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1 AV9 tivozanib +c1ccnc(c1)c2cccc(c2)C(=O)O AVA 3-pyridin-2-ylbenzoic acid +c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2 AVB (3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N AVC adenosine-5'-monophosphate-2',3'-vanadate +c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O AVD 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F AVE 4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid +c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O AVF 1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid +C(COCCN)[C@@H](C(=O)O)N AVG 2-amino-4-(2-amino-ethoxy)-butyric acid +C=C[C@@H]1CCC([C@@H](C1)O)O AVH (1r,2r,4r)-4-ethenylcyclohexane-1,2-diol +CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O AVI n,n-dimethyl-l-histidine +C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O AVJ n,n,n-trimethyl-histidine +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 AVK ~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine +CC(C)c1c(c2ccccn2n1)C(=O)C(C)C AVL 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3 AVM 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid +C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N AVN (2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2 AVO pyrrolidinohistidine +c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N AVP acyclovir triphosphate +Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O AVQ 2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N AVR (2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O AVT 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N AVU [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N AVV [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N AVW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N AVX 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 AVY (1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3 AVZ (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium +Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C AW0 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AW1 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW2 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW3 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl AW4 (1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1)O)C(=O)O AW5 3-methyl-5-oxidanyl-benzoic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl AW6 4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide +c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 AW7 2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O AW8 2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +COC(=O)C=CC(=O)O AW9 (2z)-4-methoxy-4-oxobut-2-enoic acid +COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O AWA (6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AWB [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O AWC 2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine +CN1CCN(CC1)C(=O)Nc2ccc(cc2)F AWD ~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide +c1cc(cc(c1)F)c2ccc(cc2Cl)CN AWE [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine +Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F AWF 2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol +c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2 AWG ~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine +CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O AWH 3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid +Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F AWJ (2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C AWK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine +Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl AWL 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone +CN1CCN(CC1)c2nc3ccccc3s2 AWM 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3 AWN 2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine +CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC AWO n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea +c1cnccc1CCNC(=O)NC2CCCCC2 AWP 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea +Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O AWQ 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid +COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F AWR 4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine +CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O AWS 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC AWT 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O AWU [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3 AWV 3-(azepan-1-ylmethyl)-1~{h}-indole +Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC AWW [2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C AWX n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide +CC(=O)NCCc1cccc2c1cc(cc2)OC AWY ~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC AWZ ~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C AX0 n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide +c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 AX1 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1(nc(nc(n1)N)N)N AX2 1,3,5-triazine-2,4,6-triamine +C1CC1Nc2nc(nc(n2)N)N AX3 n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine +Cc1ccc(cc1)Sc2cc(nc(n2)N)N AX4 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc(cc1)CSc2cc(nc(n2)N)N AX5 6-(benzylsulfanyl)pyrimidine-2,4-diamine +COc1ccc(cc1)CSc2cc(nc(n2)N)N AX6 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc2c(c1)[nH]c(n2)N AX7 1h-benzimidazol-2-amine +c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N AX8 1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2 AXA (5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N AXB n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide +Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4 AXC 5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline +CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN AXD 2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid +C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC AXE 6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O AXF (2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide +c1ccc(cc1)CN2CCC(CC2)n3cccc3 AXG 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC AXH 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine +CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4 AXI axitinib +CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C AXJ [(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol +c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AXK [(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C AXL 2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1C2CC3CC1CC(C2)(C3)CC(=O)NO AXM n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C AXN ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +C/C=N/O AXO (1e)-n-hydroxyethanimine +CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O AXP (1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O AXQ {(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester +CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AXR methyl alpha-d-arabinofuranoside +c1cc(ccc1CNC[C@H]2CCCO2)F AXS 1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C AXT astaxanthin +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C AXU 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one +c1ccc2c(c1)[nH]c(n2)NC#N AXV 1~{h}-benzimidazol-2-ylcyanamide +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F AXW 6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1 AXX 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4 AXY (2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid +c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O AXZ 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O AY0 (1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C AY1 [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C AY2 ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +c1c[nH]nc1c2cc(cc(c2O)F)F AY4 2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol +c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AY5 [(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl AY6 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl AY7 asciminib +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3 AY8 [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid +C1C(=O)C(=C[C@H](O1)CO)O AY9 ascopyrone m +C[C@@H](C(=O)O)NC(=O)C AYA n-acetylalanine +CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N AYB 5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H](C(=O)CCC(=O)O)NC(=O)C AYC alaremycin 2 +Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C AYD 4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate +C=CCN AYE prop-2-en-1-amine +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N AYG [(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O AYH (1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O AYI (1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester +CS(=O)(=O)N(CC(=O)N)C1CCCCC1 AYJ 2-[cyclohexyl(methylsulfonyl)amino]ethanamide +CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYK (3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide +c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O AYL 5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine +Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N AYM 3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide +c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N AYN 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide +CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4 AYO (4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O AYQ n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide +c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2 AYR (2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one +c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl AYS 2-[(4-chlorophenyl)amino]benzamide +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYT (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N AYU [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(CO)(CO)NC(=O)Nc1ccccc1 AYV 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea +Cc1cc(cc2c1C(=O)CO2)O AYW 4-methyl-6-oxidanyl-1-benzofuran-3-one +c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N AYX 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide +c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O AYZ 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid +CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O AZ0 ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +C(CCCC(=O)O)CCCC(=O)O AZ1 azelaic acid +CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O AZ2 (2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid +[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N AZ3 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide +c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F AZ4 n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide +Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl AZ5 5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N AZ6 3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile +c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl AZ7 (3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid +c1nc2c(nn1)NC(=O)NC2=O AZ8 pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +CN1C(=O)c2c(nncn2)NC1=O AZ9 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +c12c([nH]nn1)NC(=O)NC2=O AZA 8-azaxanthine +CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O AZB 4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol +CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AZC n-(acetylcarbamoyl)-beta-d-glucopyranosylamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZD 3'-azido-3'-deoxythymidine-5'-diphosphate +C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C AZE all-trans axerophthene +C1[C@H]([C@@H]([C@H](NN1)CO)O)O AZF azafagomine +c12c(nc(nc1O)N)nn[nH]2 AZG 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol +C(CN=[N+]=N)[C@@H](C(=O)O)N AZH azidohomoalanine +[N-]=[N+]=[N-] AZI azide ion +CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate +C(CCN=[N+]=[N-])C[C@@H](CO)N AZK (s)-2-amino-6-azidohexanoic acid +CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN AZL 1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine +CC(=O)Nc1nnc(s1)S(=O)(=O)N AZM 5-acetamido-1,3,4-thiadiazole-2-sulfonamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O AZN alizarin red +CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC AZO methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate +CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O AZP (5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C AZQ azapropazone +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O AZR 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid +C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-] AZS o-diazoacetyl-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZT 3'-azido-3'-deoxythymidine-5'-triphosphate +CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O AZU 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate +CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N AZV n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine +c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O AZW 4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O AZX 4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide +c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O AZY 3-azido-l-tyrosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] AZZ 3'-azido-3'-deoxythymidine +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3 B00 2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N B01 d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide +Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C B02 2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N B03 d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide +C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N B04 d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide +c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-] B05 n-[2-(benzyloxy)phenyl]-3-nitrobenzamide +c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F B06 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid +B(CNC(=O)c1c(cccc1OC)OC)(O)O B07 2,6 dimethoxybenzamidoboronic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B08 (1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid +CONS(=O)(=O)c1ccccc1 B09 n-methoxybenzenesulfonamide +c1ccc(cc1)OCC(=O)NC2CCCCC2 B0A ~{n}-cyclohexyl-2-phenoxy-ethanamide +CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C B0B (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C B0C n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide +C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O B0D (2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol +c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O B0E 1,3-bis(oxidanyl)benzo[c]chromen-6-one +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7 B0F (4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)COC(=O)N2CCC(CC2)O B0G (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate +Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C B0H ~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1cccc(c1)c2cccc(c2)C B0I 3,3'-dimethyl-1,1'-biphenyl +CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C B0J 4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol +c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine +C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O B0L 4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one +CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 B0M 1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone +Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO B0N [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol +C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C B0O (6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one +Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4 B0Q ~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F B0R 2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide +B(CCCCCCCCCCCCC)(O)O B0S tridecylboronic acid +CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O B0T (2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C(COCCOCCOCCN)C(=O)O B0U 3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid +Cc1cc(c(c(c1)C)NC(=O)COC)C B0V 2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O B0W 4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C B0X 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +CCc1ccc(s1)C(=O)NCc2cnn(c2)C B0Y 5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F B0Z (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5 B10 n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide +c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O B11 n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide +Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O B12 cobalamin +CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N B13 5-hydroxybenzimidazolylcob(iii)amide +c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N B14 1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine +c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N B15 [2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O B16 1,6-di-o-phosphono-beta-d-glucopyranose +c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B17 {1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper +C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C B18 (4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C B19 n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide +CC(=O)Nc1ccc(cc1)Nc2ccccc2 B1A ~{n}-(4-phenylazanylphenyl)ethanamide +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl B1B (2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O B1C n-(tert-butoxycarbonyl)-l-tyrosine +Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N B1E 3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide +B([C@H](Cc1ccccc1)N)(O)O B1F phenylalanine boronic acid +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O B1H (1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol +c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4 B1I n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine +c1cc(ccc1n2cc(nn2)CO)Cl B1J [1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol +COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O B1K (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O B1L 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate +CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO B1M co-5-methoxybenzimidazolylcobamide +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O B1N (1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol +Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C B1O 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O B1P 2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N B1Q (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B1R [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2 B1S (1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl B1T 2,2'-sulfanediylbis(4,6-dichlorophenol) +c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-] B1U 5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine +c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F B1V 2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N B1W (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N B1X 5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine +C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N B1Y (1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O B1Z adenosylcobalamin +c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N B2 (2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine +B1C=CC=CN1 B20 1,2-dihydro-1,2-azaborinine +COc1ccccc1c2ccc(o2)C(=O)O B21 5-(2-methoxyphenyl)-2-furoic acid +c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N B22 [2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper +c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-] B23 5-(2-nitrophenyl)-2-furoic acid +B1C=CC=CN1CC B24 1-ethyl-1,2-dihydro-1,2-azaborinine +[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N B25 5-nitro-1h-indole-2-carboximidamide +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N B26 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide +C[C@H]([C@@H](CS)N)O B27 (2r,3s) 3-amino-4-mercapto-2-butanol +c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B28 (1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid +c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B29 [2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid +B([C@H](C)N)(O)O B2A alanine boronic acid +CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O B2B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O B2C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1 B2D 7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine +CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O B2E (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine +B([C@H](Cc1ccccc1)N)(O)O B2F phenylalanine boronic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O B2G galactobiose +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O B2H chromophore (thr, trp, gly) +B([C@H]([C@H](C)CC)N)(O)O B2I isoleucine boronic acid +CCSc1nc(nc(n1)N)C B2J 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine +Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C B2K 4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine +Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3 B2L 4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine +Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl B2M 6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide +C([C@@H](CN)C(=O)O)C(=O)N B2N (2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid +CC(C)(C(=O)O)Br B2P 2-bromo-2-methylpropanoic acid +CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC B2Q (2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C B2R 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate +CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO B2S (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CSc1nc(nc(n1)N)c2ccccc2Cl B2T 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl B2U n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine +B([C@H](C(C)C)N)(O)O B2V valine boronic acid +C1CN=C(C=CN1)C(F)(F)F B2W 5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine +CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4 B2X 4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)c2ccccc2CN B2Y 1-biphenyl-2-ylmethanamine +C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F B2Z (3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide) +c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B30 {2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N B31 (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide +CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O B32 5'-s-[2-(decylamino)ethyl]-5'-thioadenosine +CCCNCCCNCCCNCC B33 n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine +CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O B34 (5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one +COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-] B35 4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6 B36 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6 B37 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline +Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5 B38 1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one +c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N B39 [(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate +C[C@@H](CC(=O)O)N B3A (3s)-3-aminobutanoic acid +c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O B3B 2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde +Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O B3C benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate +C(C(CC(=O)O)N)C(=O)O B3D 3-aminopentanedioic acid +C(CC(=O)O)[C@@H](CC(=O)O)N B3E (3s)-3-aminohexanedioic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl B3G (1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC B3H (2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate +c1c(cc(c(c1C(=O)O)I)I)I B3I 2,3,5-triiodobenzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 B3J (1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(CCN)C[C@@H](CC(=O)O)N B3K (3s)-3,7-diaminoheptanoic acid +CC(C)C[C@@H](CC(=O)O)N B3L (3s)-3-amino-5-methylhexanoic acid +CSCC[C@@H](CC(=O)O)N B3M (3r)-3-amino-5-(methylsulfanyl)pentanoic acid +CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO B3N 4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide +C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 B3O (1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione +C(CNC(CO)(CO)CO)CNC(CO)(CO)CO B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol +C(CC(=O)N)[C@@H](CC(=O)O)N B3Q (3s)-3,6-diamino-6-oxohexanoic acid +c1cc(cc(c1)Br)O B3R 3-bromophenol +C([C@H](CO)N)C(=O)O B3S (3r)-3-amino-4-hydroxybutanoic acid +C[C@H]([C@@H](CC(=O)O)N)O B3T 3-amino-2,3,5-trideoxy-d-threo-pentonic acid +c1c([nH]c(n1)N)C[C@@H](C(=O)O)N B3U 2-amino-l-histidine +CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC B3V n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl B3W 4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide +C([C@@H](CC(=O)O)N)C(=O)N B3X (3s)-3,5-diamino-5-oxopentanoic acid +c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y (3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid +CCN(CC)CCNS(=O)(=O)c1ccccc1F B3Z n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide +C[C@@H](Cc1ccccc1)NC B40 (2s)-n-methyl-1-phenylpropan-2-amine +C[C@@H](Cc1ccc2c(c1)OCO2)NC B41 (2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine +CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C B42 n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 B43 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O B44 n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F B45 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one +C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4 B46 prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate +COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O B47 methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate +Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC B48 4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole +CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C B49 n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5 B4A 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4 B4C benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate +C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl B4D (3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3 B4E cyclical inhibitor od36 +c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O B4F biotin-4-fluorescein +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O B4G galactotriose +C=NC(=O)c1cccc(c1)[N+](=O)[O-] B4H n-methylidene-3-nitrobenzamide +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1 B4J 3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide +CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O B4K ~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide +CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C B4L 3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C(Br)(Br)Br B4M tris(bromanyl)methane +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] B4N bis(4-nitrophenyl) hydrogen phosphate +CC1=CC(=O)N(C(=C1)C2CCCCC2)O B4O 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B4P bis(adenosine)-5'-tetraphosphate +CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3 B4Q 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O B4R {4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N B4S 3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4T mono-pegylated sulfonatocalix[4]arene +Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C B4V 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide +c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4 B4W 2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4X di-pegylated sulfonatocalix[4]arene +CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B4Y (2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3 B4Z ~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide +CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4 B50 4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 B51 nickel/iron/sulfur cluster +C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O B52 (2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C1(=C(N=C(NC1=O)N)N)N=O B53 2,6-diamino-5-nitrosopyrimidin-4(3h)-one +c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O B54 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid +c12c([nH]c(n1)S)N=C(NC2=O)N B55 2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one +CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O B56 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid +C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-] B57 2,6-diamino-5-nitropyrimidin-4(3h)-one +c1[nH]c2c(n1)c(nnc2N)N B58 1h-imidazo[4,5-d]pyridazine-4,7-diamine +CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O B59 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde +c1c2c(ncnc2n(n1)CC3CCNCC3)N B5A 1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3 B5B 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole +CC(=O)Oc1ccc2c(c1)SC(=O)O2 B5C 2-oxo-2h-1,3-benzoxathiol-5-yl acetate +C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl B5D (3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3 B5E 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine +c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B5F biphenyl 2,3',4,5',6-pentakisphosphate +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B5G (2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide +c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2 B5H (5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione +C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 B5J methyltriphenylphosphonium +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O B5K 3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid +C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+] B5L n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium +Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5M 9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F B5N [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1 B5O (6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O B5P n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 B5Q [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B5R (2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3 B5S 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium +c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N B5T 4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide +Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C B5U 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5V 9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3 B5W (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1 B5X (6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5Y 9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 B5Z ~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide +CN1CC=NC2=C1N=C(NC2=O)N B60 2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one +CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O B61 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one +C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N B62 (6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N B63 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid +COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O B64 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid +c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O B65 (1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid +C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O B66 4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile +C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B67 (2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide +CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B68 (2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B69 tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate +c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4 B6A [2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone +COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N B6B [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone +Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl B6C 2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C B6D 2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose +c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F B6E ~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B6F [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron +CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N B6G (2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate +CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N B6H ~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O B6J 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol +c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B6K biphenyl 3,3',4,4',5,5'-hexakisphosphate +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O B6L 2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide +C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N B6M (1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside +c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F B6N 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one +CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6O 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B6P p1,p6-di(adenosine-5') hexaphosphate +CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N B6Q ~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6R 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc2c(cc1S(=O)(=O)O)scn2 B6S 1,3-benzothiazole-6-sulfonic acid +CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O B6T 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O B6U 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl B6W 2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide +CCCCCC[C@H](CC(=O)O)SCC(=O)O B6X (3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O B6Y (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N B6Z [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone +c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B70 tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate +CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B71 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium +Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O B72 {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid +CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B73 3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium +Cc1cccc(c1)CO B74 (3-methylphenyl)methanol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B75 1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O B76 [1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid) +Cc1ccc(c(c1)OCc2ccccn2)OC B77 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine +Cc1ccc(cc1OCc2ccncc2)OC B78 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine +CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5 B79 (8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7A 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) +CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N B7B 4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide +C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O B7C 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl B7D (3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5 B7E compound 28 +C(C(C(C(F)(F)F)(F)F)(F)F)O B7F 2,2,3,3,4,4,4-heptafluorobutan-1-ol +CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O B7G heptyl beta-d-glucopyranoside +Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N B7H 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile +c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4 B7I 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole) +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7J 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C B7K 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4 B7L 2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid +CCC\C=C/C=C/CCCCCCCCC=O B7M (10e,12z)-hexadeca-10,12-dienal +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC B7N (1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4 B7O ~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7P 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl B7Q 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1c(cc2c(c1O)C(=O)C=CO2)O B7S 5,7-dihydroxy-4h-1-benzopyran-4-one +Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC B7T (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine +C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2 B7U (2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide +COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N B7V 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4 B7W 3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O B7X (3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) +CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 B7Z 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O B80 n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol +CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O B82 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid +C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C B83 2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC B84 (2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide +c1ccc(cc1)CP(=O)(O)O B85 benzylphosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O B86 2'-deoxy-5-fluorocytidine +c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5 B87 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine +C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O B88 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid +CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O B89 (5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one +B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N B8B cobaltcarborane +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O B8C (~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO B8D 4-o-methyl-alpha-d-glucopyranose +Cc1c(nc(s1)c2ccccc2)CC(=O)OC B8E methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O B8F (5beta)-3-oxours-12-en-28-oic acid +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8H [(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7 B8J 1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8K 7-acetyl, guanosine-5'-monophosphate +CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC B8L 3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate +CCCCC\C=C/C=C/CCCCCCCO B8M (8e,10z)-hexadeca-8,10-dien-1-ol +CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8N (2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5 B8O 2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O B8P 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N B8Q 3-methyl, cytidine-5'-monophosphate +CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N B8R (2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8S n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8T 4-methyl, cytidine-5'-monophosphate +COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O B8V (2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8W 6-methyl, guanosine-5'-monophosphate +CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO B8X 2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8Y n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide +Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2 B90 n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine +Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F B91 3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4 B92 (3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5 B93 (3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl B94 (3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br B95 n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5 B96 1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea +Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C B97 (10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one +COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN B98 (3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N B99 (2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine +c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O B9A macrocyclic-bis-9-amino-acridine +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B9B 6-propyl, guanosine-5'-monophosphate +CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5 B9C n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide +C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O B9D 5-fluoro-alpha-l-idopyranose +C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2 B9F [(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron +CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N B9H 2'-methyl, 3-propyl, cytidine-5'-monophosphate +Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 B9K 4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO B9L n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide +CCCC#C\C=C\CCCCCCCCCO B9M (10e)-hexadec-10-en-12-yn-1-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O B9N (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC B9O n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 B9P 1-biotinylpyrene +C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5 B9Q ~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC B9R n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide +CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C B9S (2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F B9T ~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O B9U (2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide +CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F B9W 2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide +CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N B9X [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate +c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F B9Y 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one +COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O B9Z (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid +[Ba+2] BA barium ion +CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5 BA0 (7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O BA1 balanol +CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O BA2 5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N BA3 bis(adenosine)-5'-triphosphate +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O BA4 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +COC(=O)C1=C(c2cccnc2N(C1=O)O)N BA5 methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate +C(CC[C@@H](CO)O)CCO BA6 (2s)-heptane-1,2,7-triol +c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O BA7 [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate +c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl BA8 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol +CC(C)(O)O BA9 propane-2,2-diol +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C BAA (tert-butyloxycarbonyl)-alanyl-alanyl-amine +c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N BAB bis(5-amidino-benzimidazolyl)methane +c1cc(ccc1CNC=O)I BAC n-(4-iodo-benzyl)-formamide +CC(C)(C)C(=O)NC BAE n-methyltrimethylacetamide +C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C BAF (tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide +c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N BAG n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O BAH bis(5-amidino-2-benzimidazolyl)methane ketone hydrate +c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N BAI (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane +CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C BAJ 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N BAK bis(5-amidino-2-benzimidazolyl)methane ketone +C(CN)C(=O)O BAL beta-alanine +c1ccc(cc1)C(=[NH2+])N BAM benzamidine +C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO BAN honh-benzylmalonyl-l-alanylglycine-p-nitroanilide +c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N BAO bis(5-amidino-2-benzimidazolyl)methanone +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BAP 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene +C1CC(=O)NC1 BAQ pyrrolidin-2-one +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O BAR 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC[C@H](c1ccccc1)NC=O BAS n-(1-phenyl-propyl)-formamide +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC BAT 4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide +c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO BAU 1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C BAV (3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F BAW 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl BAX 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C BAY n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide +[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N BAZ bis(5-amidino-benzimidazolyl)methane zinc +CC(=O)c1ccc2cc(ccc2c1)N(C)C BB0 1-[6-(dimethylamino)naphthalen-2-yl]ethanone +CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C BB1 2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide +CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO BB2 actinonin +CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br BB3 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide +c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO BB4 2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide +C/C(=C(\C(=O)O)/N)/S BB6 (2z)-2-amino-3-sulfanylbut-2-enoic acid +COC/C(=C(\C(=O)O)/N)/S BB7 (2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O BB8 (2s,3s)-beta-hydroxy-phenylalanine +C(=C(\C(=O)O)/N)/S BB9 (2z)-2-amino-3-sulfanylprop-2-enoic acid +c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N BBA 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one +c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O BBB 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione +[H]/N=C(\CO)/C[S@@](=O)CCCCN BBC 3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol +Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N BBE n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide +c1(c(c(c(c(c1F)F)Br)F)F)F BBF 1-bromo-2,3,4,5,6-pentafluorobenzene +COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3 BBH 1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide +CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I BBI (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone +c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F BBJ n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O BBK 2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose +C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 BBL n-[(benzyloxy)carbonyl]-l-alanine +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O BBM 5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +B1(c2ccccc2C=NN1C(=O)N)O BBN 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4 BBO 2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl BBP (5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol +B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O BBQ cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C(C(=O)CBr)OP(=O)(O)O BBR (3-bromo-2-oxo-propoxy)phosphonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)O BBS 4-tert-butylbenzenesulfonic acid +c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO BBT 2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione +CCCCBr BBU 1-bromobutane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O BBV benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +Cc1ccc2c(c1)ncnc2N BBW 7-methylquinazolin-4-amine +CCBr BBX 1-bromoethane +Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3 BBY 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C BBZ 2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O BC benzo[g]chrysene +CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1 BC0 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine +CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O BC1 3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC BC2 macbecin +c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N BC3 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BC4 (3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N BC5 4'-aminobiphenyl-4-sulfonamide +C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C BC6 (4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1 BC7 2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone +C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O BC8 beta-citryl-l-glutamic acid +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C BC9 (1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O BCA 4-hydroxybenzoyl coenzyme a +C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C BCB bacteriochlorophyll b +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N BCC (3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O BCD beta-cyclodextrin +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O BCE (2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide +c1(c(c(c(c(c1F)F)Cl)F)F)F BCF 1-chloro-2,3,4,5,6-pentafluorobenzene +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O BCG 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid +CCCC(=O)SCC[N+](C)(C)C BCH 2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium +CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C BCJ (4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one +Cn1c(c(cn1)CO)c2ccccc2 BCK (1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol +CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BCL bacteriochlorophyll a +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O BCM bicyclomycin +C(CO)N(CCO)CC(=O)O BCN bicine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O BCO butyryl coenzyme a +c1[nH]c2c(n1)nc(nc2Cl)Br BCP 2-bromo-6-chloro-purine +CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 BCQ n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C BCR beta-carotene +c1ccc(cc1)CSC[C@@H](C(=O)O)N BCS benzylcysteine +C(=O)(O)[O-] BCT bicarbonate ion +c1ccc2c(c1)C[C@@H](CO2)CO BCU (3r)-3,4-dihydro-2h-chromen-3-ylmethanol +C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N BCV d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O BCW 6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-d-glucopyranose +C([C@H](CS)N)C(=O)O BCX (3r)-3-amino-4-sulfanylbutanoic acid +C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N BCY carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one +CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C BCZ 3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid +c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl BD0 (1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium +C1C=CC[C@@H]2[C@H]1OC(O2)O BD1 3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one +c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O BD2 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate +[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C BD3 nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide +Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C BD4 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4 BD5 n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5 BD6 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4 BD7 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD8 n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD9 n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O BDA 4-methylbenzyl-n-bis[daunomycin] +B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O BDB 4,4'-biphenyldiboronic acid +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C BDC bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide +C(CCCCCCBr)CCCCCO BDD bromo-dodecanol +c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br BDE n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide +C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O BDF beta-d-fructopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N BDG 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N BDH l-beta-aspartylhistidine +CCCCc1[nH]c2c(n1)C(=O)NNC2=O BDI 2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione +[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C BDJ (2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one +CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3 BDK 2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide +CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2 BDL n-(biphenyl-4-ylsulfonyl)-d-leucine +COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N BDM brodimoprim-4,6-dicarboxylate +c1ccc(cc1)C(=N)N BDN benzamidine +[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C BDO (2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O BDP beta-d-glucopyranuronic acid +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C BDQ 1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O BDR beta-d-ribofuranose +c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2 BDS 2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C BDT 5-beta-dihydrotestosterone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O BDU me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C BDV 1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5 BDW (4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3 BDX (2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one +c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl BDY n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O BDZ 6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-d-glucopyranose +C1CCN(CC1)S(=O)(=O)N BE0 piperidine-1-sulfonamide +CC(=O)N(CCOP(=O)(O)O)Br BE1 n-bromoacetyl-aminoethyl phosphate +c1ccc(c(c1)C(=O)O)N BE2 2-aminobenzoic acid +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O BE3 n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O BE4 (2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O BE5 (2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O BE6 (2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide +c1cc(ccc1C(=O)O)[Hg]Cl BE7 (4-carboxyphenyl)(chloro)mercury +B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O BE8 [(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid +c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2 BE9 phenyl n-sulfamoylmorpholine-4-carboximidoate +Cc1cccc2c1n3cn[nH+]c3s2 BEA 5-methyl-1,2,4-triazolo[3,4-b]benzothiazole +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEB n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4 BEC [5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O BED n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4 BEE n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +[Be-](F)(F)F BEF beryllium trifluoride ion +c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEG 2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide] +c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5 BEH 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide +CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2 BEI n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4 BEJ n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +COc1c(c(c(c(c1F)F)C(=O)N)F)F BEK 2,3,5,6-tetrafluoro-4-methoxy-benzamide +c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O BEL 2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide +[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O BEM beta-d-mannopyranuronic acid +[H]/N=C(\c1ccccc1)/N BEN benzamidine +CC=CC(=O)O BEO butenoic acid +CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3 BEP 1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] BEQ n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt +COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5 BER berberine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O BES 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid +C[N+](C)(C)CC(=O)O BET trimethyl glycine +CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N BEU n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide +C1CS/C(=N\S(=O)(=O)N)/N1 BEV n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide +c1cc[n+](c(c1)S)O BEW 1-hydroxy-2-sulfanylpyridinium +COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2 BEX n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide +c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O BEY (2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +c1ccc(cc1)C(=O)O BEZ benzoic acid +COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O BF0 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate +[Be](F)F BF2 beryllium difluoride +c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O BF3 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +[Be-2](F)(F)(F)F BF4 beryllium tetrafluoride ion +C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-] BF5 (3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate +c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O BF6 [(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1C[C@H](C(=O)O)N)Br BF7 4-bromo-d-phenylalanine +O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51 BF8 fe(4)-ni(1)-s(5) cluster with oxygen +C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O BF9 [(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br BFA 9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide +[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1 BFB n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide +CCCCCCCCCCC[C@H](CC=O)O BFC (r)-3-hydroxytetradecanal +[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F BFD aspartate beryllium trifluoride +c1ccc(cc1)C(=O)NCCS BFE n-(2-sulfanylethyl)benzamide +c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br BFF 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide +c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2 BFG 3,3-diphenyl-n-(2-sulfanylethyl)propanamide +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O BFH 1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br BFI 2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone +Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C BFK [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol +C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O BFL 2-(1,1'-biphenyl-4-yl)propanoic acid +C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O BFM 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O BFN 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O BFO benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O BFP beta fructose 1,6-diphosphate +CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O BFQ ibandronate +[H]/N=C(\NCCCC)/N=C(N)N BFR n-butyl-n'-(diaminomethylidene)guanidine +C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F BFS n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide +Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2 BFT s-benzoylthiamine o-monophosphate +CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F BFU 1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1 BFV n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +c1cc(oc1)CNC2=CC=NC(=O)N2 BFW 4-n-furfurylcytosine +c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl BFX 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br BFZ 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one +COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N BG0 (4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile +CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC BG1 o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O BG2 8-bromoguanosine +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O BG3 3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O BG4 5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO BG5 5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BG6 6-o-phosphono-beta-d-glucopyranose +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C BG7 n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide +c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O BG8 2-(benzoylamino)-2-deoxy-beta-d-glucopyranose +c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O BG9 (2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O BGC beta-d-glucopyranose +c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N BGD n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide +Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 BGE 4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N BGF 2,5-bis(4-guanylphenyl)furan +c1ccc(cc1)COC(=O)O BGG carbonic acid monobenzyl ester +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC BGH [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1 BGJ 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine +c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O BGK 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGL 2-o-octyl-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O BGM 8-bromo-2'-deoxyguanosine-5'-monophosphate +CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGN 2-(butanoylamino)-2-deoxy-beta-d-glucopyranose +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O BGO 3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BGP 6-o-phosphono-beta-d-galactopyranose +C(CO)[C@H](C[O])O BGQ 2-hydroxy butane-1,4-diol +[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O BGR [[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide +CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BGS (1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol +CC(C)(C)OC(=O)[C@H](CCC(=O)N)N BGT tert-butyl d-alpha-glutaminate +c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N BGU 2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 BGV (3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate +c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O BGW 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid +C[C@@H]1C=CN[C@H]1C(=O)O BGX 4-methyl-pyrroline-5-carboxylic acid +CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2 BGY tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O BGZ [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O BH0 3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile +CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BH1 bacteriopheophytin +[C@H]([C@H](C(=O)O)O)(C(=O)O)N BH2 (3r)-3-hydroxy-l-aspartic acid +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-] BH3 hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BH4 (6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-] BH5 hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +B(CNC(=O)c1ccccc1Cl)(O)O BH6 {[(2-chlorobenzoyl)amino]methyl}boronic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 BH7 e-amino biotinyl caproic acid +CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-] BH8 hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4 BH9 4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +c1cc(c(cc1N)O)C(=O)O BHA 2-hydroxy-4-aminobenzoic acid +CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N BHB 2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one +c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O BHC benzene hexacarboxylic acid +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N BHD (3s)-3-hydroxy-l-aspartic acid +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O BHE octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2 BHF 2-phenyl-4h-benzo[h]chromen-4-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O BHG hexyl beta-d-galactopyranoside +CCCCNC(=N)NO BHH n-butyl-n'-hydroxyguanidine +C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O BHI 4-bromo-3-hydroxy-3-methyl butyl diphosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1 BHJ {(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O BHK (2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid +C(CCCBr)CCO BHL 6-bromohexan-1-ol +C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O BHM (r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O BHN 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +c1ccc(cc1)C(=O)NO BHO benzhydroxamic acid +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3 BHP (s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid +CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O BHQ 2,5-ditert-butylbenzene-1,4-diol +c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O BHR 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid +C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BHS 6s-5,6,7,8-tetrahydrobiopterin +c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O BHT n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium +B(CNC(=O)[C@H](C)CS)(O)O BHU [[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C BHV tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O BHW coumermycin a1 +C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O BHX (2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid +C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C BHY n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide +c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O BHZ 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5 BI1 3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI2 3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI3 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI4 3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione +c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3 BI5 4-phenoxy-n-(pyridin-2-ylmethyl)benzamide +CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C BI6 (3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl BI7 3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI8 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl BI9 2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide +c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F BIA 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one +C[C@@H](CN)C(=O)[O-] BIB beta-amino isobutyrate +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N BIC 3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one +C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C BID bistramide a +c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O BIE (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N BIF (r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid +CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N BIG (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O BIH naphthalene-2,6-disulfonic acid +CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl BII 2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide +CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl BIJ 7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one +c1cc(cc2c1cc(c(c2)C(=O)O)O)O BIK 3,7-dihydroxy-2-naphthoic acid +CC[C@H](C)[C@@H](CC(=O)O)N BIL (3r,4s)-3-amino-4-methylhexanoic acid +CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O BIM bis-(indole)maleimide pyridinophane +CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C BIN 2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium +C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O BIO biopterin +c1ccc(cc1)C[C@@H](CI)C(=O)O BIP 2-benzyl-3-iodopropanoic acid +CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4 BIQ benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O BIR n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N BIS 1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester +Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BIT (-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one +C[C@@H](CCBr)[C@@H](C(=O)O)N BIU 5-bromo-l-isoleucine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O BIV 21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e) +c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O BIW 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid +C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O BIX (2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid +CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C BIY (3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C BIZ bizelesin +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O BJ1 (1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O BJ2 (2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2 BJ4 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN BJ5 desferrioxamine b +S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 BJ8 double cubane cluster +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N BJA (2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide +c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2 BJB 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid +CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O BJC (1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJD n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O BJE 2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil +CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O BJF {2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl BJG 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O BJH 1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O BJI 1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJJ n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine +COc1ccc(cc1O)C[NH3+] BJK (4-methoxy-3-oxidanyl-phenyl)methylazanium +CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O BJL n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine +C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N BJM (2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone +c1cc(cnc1)CC[NH3+] BJN 2-pyridin-3-ylethylazanium +C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O BJO (4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O BJP (1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid +COC(=O)[C@H](Cc1ccccc1)[NH3+] BJQ [(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium +C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N BJS 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide +COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C BJV n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8 BJW 4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid +CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 BJX repaglinide +CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1 BJY 5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium +CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl BJZ 6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid +CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N BK1 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N BK2 1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N BK3 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N BK4 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N BK5 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK6 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK7 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5 BK8 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine +CCOc1c2ccccc2ncn1 BK9 4-ethoxyquinazoline +CCCCC(=O)CC(=O)O BKA 3-oxoheptanoic acid +C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O BKC bongkrekic acid +CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1 BKD 1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one +COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4 BKE 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O BKF (1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate +c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl BKH (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br BKI 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1 BKJ 1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O BKK (2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O BKL (1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione +CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C BKM (2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CCOC(=O)CCCC(=O)C BKN ethyl 5-oxohexanoate +c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O BKO 1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N BKP 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)CCC(=O)C BKQ ethyl levulinate +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O BKR deacetyltaxol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl BKS 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O BKU (1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name) +c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br BKV 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O BKW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O BKX (1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) +c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O BKY 4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid +CC(=O)CCc1ccc(cc1)O BKZ 4-(4-hydroxyphenyl)butan-2-one +CN(C)c1nnc(s1)CS(=O)(=O)N BL0 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl BL1 4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide +CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C BL2 n-(tert-butoxycarbonyl)-l-leucine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL3 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BL4 (3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2 BL5 2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide +Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O BL6 (3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O BL7 (3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL8 3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLA biliverdine ix alpha +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O BLB bleomycin b2 +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O BLD brassinolide +B([C@H](CC(C)C)N)(O)O BLE leucine boronic acid +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl BLF 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BLG 4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine +c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N BLI 4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide +C[As](=O)(CC[C@@H](C(=O)O)N)O BLJ (2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N BLK [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate +c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BLL (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O BLM bleomycin a2 +CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2 BLN morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N BLO 1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O BLP (5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate +c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O BLQ (3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLR 3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N BLS blasticidin s +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O BLT 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C BLV biliverdin ix gamma chromophore +B([C@H](CCCC[NH3+])N)(O)O BLY lysine boronic acid +C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC BLZ 5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide +CCCCn1cc[n+](c1)C BM0 1-butyl-3-methyl-1h-imidazol-3-ium +Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3 BM1 (r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one +c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N BM2 s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O BM3 2-acetamido-2-deoxy-alpha-d-mannopyranose +CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O BM4 3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol +COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4 BM5 (r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester +CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C BM6 4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BM7 2-acetamido-2-deoxy-beta-d-mannopyranose +Cc1cc(ccc1N)c2nc3ccccc3s2 BM8 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3 BM9 [s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O BMA beta-d-mannopyranose +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC BMB (3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O BMC 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CCCC(=O)N BMD butyramide +C(CS)O BME beta-mercaptoethanol +CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C BMF bromosporine +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O BMG (4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate +C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O BMH 5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))- +Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5 BMI 3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one +CC[C@@H](C)CCCCCCCCCCC(=O)O BMJ (12r)-12-methyltetradecanoic acid +C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4 BMK (5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene +c1cc(ccc1O)Br BML 4-bromophenol +CBr BMM bromomethane +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O BMN (1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol +c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6 BMO n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O BMP 6-hydroxyuridine-5'-phosphate +C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O BMQ 1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O BMR ((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C BMS 4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid +C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O BMT 4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl BMU 1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea +c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5 BMV 3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6 BMW 3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O BMX 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O BMZ 2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine +Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N BN1 (s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid +c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl BN2 7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid +c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN3 4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid +Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C BN4 4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid +Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN5 5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O BN6 (2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid +CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BN7 2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O BNA bis-(naphthyl-1-methyl) acetic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C BNB n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide +CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C BNC 5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O BND methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N BNE 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile +c1ccc(cc1)CNC=O BNF n-benzylformamide +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BNG nonyl beta-d-glucopyranoside +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O BNH [(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-] BNI 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide +c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 BNJ n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl BNK 2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)c2ccccc2 BNL biphenyl +c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4 BNM n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N BNN acetyl-p-amidinophenylalanine +B([C@H](CCCC)N)(O)O BNO norleucine boronic acid +c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4 BNP (3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine +c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4 BNQ ~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C BNR bis-daunorubicin +c1ccc(cc1)S(=O)(=O)O BNS benzenesulfonic acid +CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br BNT 2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone +CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O BNU 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid +CC[C@H](C)CCCCCCCCCCC(=O)O BNV (12s)-12-methyltetradecanoic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C BNW udp-n-acetyl-muramic acid-4'phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O BNX 2-o-phosphono-beta-d-glucopyranose +Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O BNY 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid +c1ccccc1 BNZ benzene +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO BO0 (1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol +c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N BO1 n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O BO2 n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +B(O)(O)O BO3 boric acid +[B-](O)(O)(O)O BO4 borate ion +CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O BO5 (9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione +C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C BO6 3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole +COc1cccc(c1C(=O)O)OC BO7 2,6-dimethoxybenzoic acid +[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O BO8 (d-alpha-aminopimelylamino)-d-1-ethylboronic acid +B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O BO9 n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide +c1[nH]c2c(n1)nc(nc2O)Br BOA 2-bromo-6-hydroxy-purine +CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O BOB (s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid +CC(C)(C)OC(=O)O BOC tert-butyl hydrogen carbonate +COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N BOD 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3 BOE 2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate +Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C BOF (3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BOG octyl beta-d-glucopyranoside +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N BOH (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide +CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BOI [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3 BOJ 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)c2ccccc2I BOL 2-iodo-n-phenylbenzamide +CCC\C=C/C=C/CCCCCCCCCO BOM hexadeca-10,12-dien-1-ol +B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N BON n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide +COc1ccc(cc1)Br BOP 1-bromo-4-methoxybenzene +CCOC(=O)c1cc(oc1CN)C(C)(C)C BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate +B([C@H](CCCNC(=N)N)N)(O)O BOR (1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid +c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S BOS n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide +c1ccc2c(c1)ncs2 BOT benzothiazole +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C BOU (2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCCCCCCOS(=O)(=O)N BOW octyl sulfamate +c1ccc(cc1)C(=O)O BOX benzoic acid +Cc1ccc(cc1)[C@H](O)P(=O)(O)O BOY [(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid +c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N BOZ bis(5-amidino-benzimidazolyl)methanone zinc +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BP (-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C(CSCCc1nnc(s1)N)c2nnc(s2)N BP0 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine) +c1[nH]c2c(n1)ncnc2Br BP1 6-bromo-7h-purine +CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C BP2 (+)-bornyl diphosphate +c1ccc(c(c1)c2cccc(c2O)O)Cl BP3 2'-chloro-biphenyl-2,3-diol +c1ccc(cc1)c2ccc(cc2)CC(=O)O BP4 biphenyl-4-ylacetic acid +c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N BP5 3-(2,2'-bipyridin-5-yl)-l-alanine +c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl BP6 2',6'-dichloro-biphenyl-2,6-diol +c1ccc(cc1)c2ccc(c(c2)O)O BP7 1,1'-biphenyl-3,4-diol +C(CCc1nnc(s1)N)CCc2nnc(s2)N BP8 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine) +C(CCc1nnc(s1)N)Cc2nnc(s2)N BP9 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine) +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O BPA 7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPB bacteriopheophytin b +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BPC (7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol +c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F BPD n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid +C(CN)CSC[C@@H](CO)N BPE (2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol +CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N BPF n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium +c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 BPG 9-(4-hydroxybutyl)-n2-phenylguanine +CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPH bacteriopheophytin a +c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O BPI (1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O BPJ (1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO BPK {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol +CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5 BPL 1-benzo[a]pyren-6-yl-3-methyl-urea +c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O BPM 4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen +c1cc(ccc1CO)[N+](=O)[O-] BPN paranitrobenzyl alcohol +[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N BPO 3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide +[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N BPP 2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide +CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N BPQ tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate +B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O BPR (2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide +c1ccc(cc1)c2ccccc2[S@](=O)O BPS 1,1'-biphenyl-2-sulfinic acid +C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl BPT bis(trans-platinum ethylenediamine diamine chloro)complex +c1cc2n(c1)-c3ccc(cc3NC2=O)Br BPU 7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one +C(C(=O)C(=O)O)Br BPV bromopyruvate +c1cc(ccc1CCCN)Cl BPW 3-(4-chlorophenyl)propan-1-amine +c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O BPX (2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid +c1ccc(cc1)c2cccc(c2O)O BPY biphenyl-2,3-diol +c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O BPZ 4,4'-cyclohexane-1,1-diyldiphenol +Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6 BQ0 (3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O BQ1 bedaquiline +c1ccc2c(c1)CCN(C2)C(=O)CO BQ2 1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone +CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N BQ3 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate +c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O BQ4 (2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid +c1ccc(cc1)n2c3c(c(n2)CN)CCC3 BQ5 (1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine +Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N BQ6 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N BQ7 (3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C BQ8 (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC BQ9 (2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate +c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F BQA n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine +c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-] BQB 5-(4-nitrophenylazo)-3-iodosalicylic acid +c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5 BQC 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione +CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O BQD (3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide +CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N BQE (~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide +c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2 BQF 4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid +CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2 BQH (2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C BQJ 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O BQK (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O BQL [(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N BQM 3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline +c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 BQN 4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine +C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O BQO [(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F BQP 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N BQQ (2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC BQR n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6 BQS 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N BQT (2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide +c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N BQU 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid +CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2 BQV n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide +[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C BQW (2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N BQX 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea +COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O BQY 2-methoxyphenyl beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O BQZ galactinol +[Br-] BR bromide ion +c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-] BR0 (3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid +c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O BR1 (1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol +COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F BR2 2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide +Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-] BR3 (6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate +c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O BR4 6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid +CCOCC[P@H](=O)[O-] BR5 2-ethoxyethylphosphinate +[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N BR6 (e)-4-((4-bromophenylimino)methyl)benzimidamide +C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C BR7 bromomemantine +C1C(=O)NC(=O)NC1=O BR8 barbituric acid +c1c(cnc(c1N)N)Br BR9 5-bromopyridine-2,3-diamine +CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6 BRA 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine +c1cc(ccc1CO)Br BRB para-bromobenzyl alcohol +C(CCCCCC(=O)O)CCCCCBr BRC 12-bromododecanoic acid +C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O BRD 1-beta-ribofuranosyl-1,3-diazepinone +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O BRE 2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O BRF 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +c12c(nc([nH]1)Br)N=C(NC2=O)N BRG 8-bromoguanine +C(c1c(c(no1)O)Br)C(C(=O)O)N BRH (s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC BRI (o4)-methyl-2-deoxyfucose +C(CBr)O BRJ 2-bromoethanol +COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N BRK {(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3 BRL 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl) +C(C(=O)O)Br BRM 2-bromoacetyl group +c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N BRN berenil +[Br-] BRO bromo group +C=C(CO)Br BRP 2-bromo-2-propene-1-ol +c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N BRQ {[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone +CCCC[C@H](CN(C=O)O)C(=O)O BRR (2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid +C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-] BRS 2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol +c1c(cncc1Br)C(=O)N BRT 5-bromonicotinamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O BRU 5-bromo-2'-deoxyuridine-5'-monophosphate +c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O BRV 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid +c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2 BRW 6-bromoindirubin-3'-oxime +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-] BRX bromamphenicol +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2 BRY (2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate +CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O BRZ 6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one +c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4 BS0 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one +C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C BS1 (3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane +c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6 BS2 (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane +[Bi+3] BS3 bismuth(iii) ion +c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N BS4 n-[(4-aminophenyl)sulfonyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BS5 5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C BS6 2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide +c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O BS7 8-hydroxyquinoline beta-galactopyranoside +c1cncc(c1c2ccnc3c2[nH]c(n3)N)F BS8 7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine +c1ccc(cc1)C(=O)NCCS(=O)(=O)O BSA 2-(benzoylamino)ethanesulfonic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N BSB n-benzyl-4-sulfamoyl-benzamide +CCCCS(=N)(=O)CC[C@@H](C(=O)O)N BSC (2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O BSD n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C([C@@H](CO)C(=O)O)N BSE beta-3-serine +B(CNS(=O)(=O)Cc1ccccc1)(O)O BSF {[(benzylsulfonyl)amino]methyl}boronic acid +B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O BSG 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O BSH 3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O BSI 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O BSJ (3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC BSM 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2 BSO biotin-d-sulfoxide +c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O BSP 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion +CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N BST 6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid +c1ccc(cc1)NC(=O)Nc2ccccc2 BSU 1,3-diphenylurea +Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2 BSV (2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1c[nH]c2c1c(ccn2)c3ccncc3F BSW 4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(c(c1)CCN)F BSX 2-(2-fluorophenyl)ethanamine +O[Se](=O)[O-] BSY biselenite ion +COc1ccc(cc1Cl)S(=O)(=O)O BSZ 3-chloro-4-methoxybenzenesulfonic acid +CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC BT0 2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6 BT1 {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6 BT2 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene +c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6 BT3 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BT5 biotinyl-5-amp +c1ccc(cc1)S BT6 benzenethiol +CCC(CC)n1cc(cn1)[C@@H](C(F)F)O BT7 (1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol +CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole +c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O BT9 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid +CCC[C@@H](C(=O)O)N BTA 4-demethyl-leucine +C(CO)N(CCO)C(CO)(CO)CO BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H](C(=O)O)N)S BTC cysteine +c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br BTD 5-bromothienyldeoxyuridine +c1cc(c2c(c1)nsn2)N BTE 2,1,3-benzothiadiazol-4-amine +CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 BTF iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O BTG ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside +CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4 BTH 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2 BTI 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal +C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O BTJ n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide +CCCC(=O)NCCCC[C@@H](C(=O)O)N BTK n~6~-butanoyl-l-lysine +C[N+](C)(C)CC=O BTL betaine aldehyde +CC[N+](CC)(CC)Cc1ccccc1 BTM n-benzyl-n,n-diethylethanaminium +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 BTN biotin +c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O BTO 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid +c1ccc(cc1)C[C@H](CS)C(=O)O BTP 2-thiomethyl-3-phenylpropanoic acid +C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2 BTQ epi-biotin +c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N BTR 6-bromo-tryptophan +c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O BTS 3-(2-benzothiazolylthio)-1-propanesulfonic acid +c1c(c(cc(c1O)O)O)O BTT benzene-1,2,4,5-tetrol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O BTU 3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose +c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O BTV 4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid +C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S BTW (2s,3r)-2-benzyl-3-sulfanylbutanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BTX ((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate +Cc1cc2n(n1)C(=NC(=O)N2)N BTY 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one +[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2 BTZ n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide +C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O BU0 6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide +C(CCO)CO BU1 1,4-butanediol +C[C@@H](CCO)O BU2 1,3-butanediol +C[C@H]([C@@H](C)O)O BU3 (r,r)-2,3-butanediol +C[C@H](CCO)O BU4 (3r)-butane-1,3-diol +c1c[nH]c2c1c(ccn2)c3nc(cs3)CO BU5 [2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol +c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F BU6 5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide +CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S BU7 (5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc2c(nc1)nc([nH]2)N BU8 1~{h}-imidazo[4,5-b]pyridin-2-amine +C[C@H]([C@H](C)O)O BU9 meso-2,3-butanediol +CCCC(=O)O BUA butanoic acid +B(CCCC)(O)O BUB 1-butane boronic acid +CCCCSSC[C@@H](C(=O)O)N BUC s,s-butylthiocysteine +C[C@@H]([C@H](C)O)O BUD (2s,3s)-butane-2,3-diol +CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C BUE nerylneryl pyrophosphate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O BUF bufalin +CC(C)(C)[C@@H](C(=O)O)N BUG 3-methyl-l-valine +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F BUH ~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide +CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUI (3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate +CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUJ (3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br BUK n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BUL bulgecin a +CC(C)(C)[C@@H](C(=O)NC)N BUM 2-amino-n,3,3-trimethylbutanamide +c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O BUN (2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one +CC(=O)C(=O)C BUO butane-2,3-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br BUP 5-bromouridine 5'-(tetrahydrogen triphosphate) +CC(=O)CCO BUQ 4-hydroxy-2-butanone +CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BUR 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea +CCCC BUT butyl group +c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-] BUU (2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid +c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUV 4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid +CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3 BUW r-ethopropazine +c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione +c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUY 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O BV0 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-] BV1 [3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N BV2 1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV3 1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV4 1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane +c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2 BV5 3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O BV6 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol +C1CNCCC1CCC(=O)O BV7 3-(4-piperidyl)propanoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7 BV8 3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid +Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N BV9 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide +c1ccc(cc1)C2=O[V](ON2)(O)(O)O BVA trihydroxy[(n-hydroxybenzamidato)oxo]vanadate +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br BVB 5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol +c1cscc1CN BVC 1-thien-3-ylmethanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O BVD 5-bromovinyldeoxyuridine +c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5 BVE 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide +Cc1ccnc(c1)N BVF 4-methylpyridin-2-amine +c1cnc([nH]1)CO BVG 1h-imidazol-2-ylmethanol +C=C[C@H]1CC[C@H]([C@@H](C1)O)O BVH (1r,2r,4s)-4-ethenylcyclohexane-1,2-diol +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5 BVI 8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine +COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5 BVJ methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate +c1cc(ccc1CC(=O)O)CN BVK 2-[4-(aminomethyl)phenyl]ethanoic acid +CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C BVL (2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one +CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl BVM 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-] BVN 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O BVO 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O BVP (e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate +CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N BVQ norpseudo-b12 +B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O BVR [4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron +Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O BVS (2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8 BVT 3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid +c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F BVU 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N BVV amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium +CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C BVX 3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 BVY (3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O BVZ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide +CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BW0 [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N BW1 ~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N BW2 n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid +CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BW3 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C BW4 methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate +C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N BW5 (2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C BW6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one +CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4 BW7 (2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol +CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O BW8 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C BW9 chromium protoporphyrin ix +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 BWA n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea +C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O BWB (2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid +Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F BWC 5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br BWD 2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C BWE (2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O BWF (2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BWG n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O BWH albicidin +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N BWI 1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile +c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O BWJ {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) +Cn1c([nH+]nn1)CC(=O)N[NH3+] BWK [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O BWL (2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +Cc1nnc(n1c2ccccc2CNC(=O)C)C BWM n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O BWO (2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BWP (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C BWQ ~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate +c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N BWR ~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide +C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N BWS l-gamma-glutamyl-l-alanylglycine +c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+] BWT [[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1 BWU tetraphenylporphycene contating cobalt +[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N BWV n~5~-(n-butylcarbamimidoyl)-l-ornithine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F BWW 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid +C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O BWX (2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid +CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C BWY 10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine +c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2 BWZ [[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N BX1 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 BX2 (5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O BX3 (+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid +c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N BX4 3'-aminobiphenyl-4-sulfonamide +C(Cc1n[nH]nn1)CC(=O)N[NH3+] BX5 [4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium +B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O BX6 [(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I BX7 n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide +B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BX9 [(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +C(C(=O)O)Br BXA bromoacetic acid +c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl BXB n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O BXC (3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside +CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C BXD (3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C(CC(=O)N[NH3+])c1n[nH]nn1 BXE [3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O BXF 2-deoxy-2-fluoro-beta-d-xylopyranose +COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-] BXG 2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide +CCOC(=O)Cc1n[nH]nn1 BXH ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate +CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O BXI 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6 BXJ n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide +CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O BXK (2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N BXL (3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C BXM 4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide +Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl BXN 4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CCC\C=N/O BXO (1z)-butanal oxime +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O BXP 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O BXQ (3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +c1cc(c(cc1Cl)CCN)n2cnnn2 BXR 2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine +c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2 BXS (2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid +CCN(C)C(=O)OC[C@@H](C(=O)O)N BXT (2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid +B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BXU [(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BXV 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid +c1cc2c(cc1C(=O)O)SCC(=O)N2 BXW 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O BXX beta-d-arabinofuranose +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O BXY alpha-d-arabinofuranose +c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br BXZ 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol +B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O BY0 [(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid +Cc1ccc(cc1)S(=O)(=O)/C=C/C#N BY1 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile +CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O BY2 [3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate +Cc1cccc2c1[C@H](C(=O)N2)N BY4 (3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one +c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F BY5 (~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O BY6 [(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C BY7 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O BY8 (3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O BY9 12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione +c1ccc(cc1)C(=O)NCCC(=O)O BYA n-(phenylcarbonyl)-beta-alanine +c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F BYB (2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O BYC benzoyl coenzyme a +c1cc(ccc1C(=O)NO)C(=O)NO BYD n,n'-dihydroxybenzene-1,4-dicarboxamide +C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F BYE 1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] BYG l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine +CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3 BYH 1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione +Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC BYJ 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine +C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 BYK [(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl BYL (3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol +c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F BYM (5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C BYN hydroxylated prenyl-fmn +C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 BYO (3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione +CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BYP (2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O BYR 3-bromo-l-tyrosine +c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O BYS 2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 BYT biocytin +Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C BYU n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC BYV 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile +c1cc(ccc1CC(=O)NO)CC(=O)NO BYX 2,2'-(1,4-phenylene)bis(n-hydroxyacetamide) +C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2 BYY 5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid +c1c(cn[nH]1)Br BYZ 4-bromo-1h-pyrazole +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N BZ0 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide +CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC BZ1 (+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1ccc2c(c1)cc(o2)C(=O)O BZ2 1-benzofuran-2-carboxylic acid +COc1ccc2c(c1)cc[nH]2 BZ3 5-methoxy-1h-indole +c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2 BZ4 n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide +c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O BZ5 (1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4 BZ6 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole +CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3 BZ7 n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide +CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl BZ8 4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5 BZ9 n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine +c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1 BZA 1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol +B(c1cc2ccccc2s1)(O)O BZB benzo[b]thiophene-2-boronic acid +COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N BZC 2-(3'-methoxyphenyl) benzimidazole-4-carboxamide +c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BZD n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2nc(nc(n2)N)N BZE 6-phenyl-1,3,5-triazine-2,4-diamine +c1ccc2c(c1)cco2 BZF benzofuran +c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O BZG 6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N BZH 5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid +c1ccc2c(c1)[nH]cn2 BZI benzimidazole +c1ccc2cc(c(cc2c1)C(=O)O)O BZJ 3-hydroxynaphthalene-2-carboxylic acid +CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O BZK (2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid +c1ccc(cc1)COC(=O)c2ccccc2 BZM benzoic acid phenylmethylester +CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3 BZN n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide +c1ccc(cc1)COC=O BZO carbobenzoxy group +C1CN(CCN1)C(=O)O BZP n1-carboxypiperazine +c1ccc(cc1)C(=O)c2ccccc2 BZQ diphenylmethanone +c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1 BZR 1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O BZS l-benzylsuccinic acid +c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6 BZT 3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC BZU (4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide +CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N BZW 4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc2c(cc1O)OCO2 BZX 1,3-benzodioxol-5-ol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N BZY (2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide +c1ccc(cc1)CNN BZZ benzylhydrazine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C cytidine-5'-monophosphate +Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4 C00 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C C01 (2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate +Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4 C02 4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine +Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC C03 (2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid +C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C04 (6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3 C05 (2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide +C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O C06 [[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O C07 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one +[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F C08 difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron +CCOCc1[nH]c2c3ccccc3nc(c2n1)N C09 2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine +CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C C0A 3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O C0D (2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F C0E 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O C0F (4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O C0G (2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide +c1ccc(c(c1)Nc2ncnc(n2)N)Cl C0H ~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +c1ccnc(c1)CCNc2cccc(c2C#N)F C0J 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O C0K {(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid +C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O C0L methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate +c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N C0M n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide +C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N C0O (~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid +c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl C0P 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine +CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O C0Q anilinopyrimidine ligand +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O C0R corticosterone +c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F C0S 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO C0T calicheamicin t0 +c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O C0V (2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S C0W (~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid +CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C C0X (2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 C0Y (3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone +CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl C0Z 6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +CCCCCCCCCCOCCOCCOCCOCCOCCOCCO C10 hexaethylene glycol monodecyl ether +CCCCCCCCCCC[P@H](=O)OCCCC C11 undecyl-phosphinic acid butyl ester +C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O C12 2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate +c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl C13 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea +CCCCCCCCCCCCCC C14 tetradecane +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O C15 n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N C16 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile +c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O C17 7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde +CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl C18 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one +CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N C19 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one +[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N C1A (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate) +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N C1B (2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid +c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O C1C 1,1'-binaphthalene-2,2'-dicarboxylic acid +CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O C1D 1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl C1E (2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C C1F 3-carboxy-4-methyl-5-propyl-2-furanpropionic +C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN C1G n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide +c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-] C1H 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate +C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O C1I cortistatin a +[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N C1J n~5~-(n-octylcarbamimidoyl)-l-ornithine +C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO C1K (1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC C1L 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline +c1cc(ccc1n2cnnn2)Cl C1M 1-(4-chlorophenyl)-1h-tetrazole +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 C1N n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide +O=[Cu] C1O cu-o linkage +CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3 C1P n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O C1Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide +C1CNCCC1CCCC=O C1R 4-piperidinebutyrate +C=CCSSC[C@@H](C(=O)O)N C1S 3-(prop-2-en-1-yldisulfanyl)-l-alanine +CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O C1T s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine +C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C1U 2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile +c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F C1W 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O C1X (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine +CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N C1Y (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N C1Z guanosine 3'-diphosphate 5'-triphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C C20 acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl +c1cc(sc1)C(=O)O C21 thiophene-2-carboxylic acid +C([C@@H](C(=O)O)N)Cl C22 3-chloro-l-alanine +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4 C23 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one +CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N C24 3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C25 cytidine-5'-monophosphate +CCCC[C@@H](CC)COS(=O)(=O)O C26 (2r)-2-ethyl-1-hexanesulfonic acid +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC C27 (6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F C28 n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide +CN1CCOc2c1ccc(c2)C(=O)O C29 4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid +c1cc(cc(c1)Cl)CN C2A 1-(3-chlorophenyl)methanamine +c1cc(ccc1CN)Cl C2B 1-(4-chlorophenyl)methanamine +Cl([Cu])[Cu] C2C cu-cl-cu linkage +c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl C2D 6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N C2E 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one) +C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O C2F 5-methyl-5,6,7,8-tetrahydrofolic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O C2G [cytidine-5'-phosphate] glycerylphosphoric acid ester +C#C C2H acetylene +c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O C2I 9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one +c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O C2J n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide +c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl C2K (3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O C2L 5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate +Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl C2M 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine +C([C@H](C(=O)O)N)Cl C2N 3-chloro-d-alanine +O([Cu])[Cu] C2O cu-o-cu linkage +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O C2P cytidine-2'-monophosphate +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O C2Q [(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O C2R 5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O C2S cytidine-5'-dithiophosphorate +CC[N+](C)(C)NCCC(=O)O C2T 3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid +c1c(cc(c(c1C(=O)O)O)Cl)Cl C2U 3,5-dichloro-2-hydroxybenzoic acid +CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4 C2V n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide +COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N C2W (3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N C2X 9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one) +COC(=O)c1c[nH]c2c1cccc2 C2Y methyl 1h-indole-3-carboxylate +c1cc(oc1c2cc(on2)O)P(=O)(O)O C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C C30 2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN C31 2'-o-3-aminopropyl cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O C32 5-bromo-2'-deoxy-cytidine-5'-monophosphate +CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C33 2alpha-propyl-1alpha,25-dihydroxyvitamin d3 +CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C34 n4-methyl-2'-deoxy-cytidine-5'-monophosphate +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C C35 n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide +C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O C36 5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O C37 5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O C38 5-iodo-2'-deoxy-cytidine-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O C39 n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4 C3A allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C3B 4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one +c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O C3D (5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol +c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N C3E (3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O C3F 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C3G 4-nitrophenyl beta-d-glucopyranosiduronic acid +CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N C3H 2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid +CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F C3J 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide +CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3 C3K (3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide +C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C3L 2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N C3M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide +CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C3O 2alpha-propoxy-1alpha,25-dihydroxyvitamin d3 +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O C3P cytidine-3'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4 C3Q n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide +C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C C3R carolacton +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C C3S cholest-5-en-3-yl hydrogen sulfate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC C3T (3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide +Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C C3V 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one +CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O C3W 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid +C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C3X (2r)-oxiran-2-ylmethyl beta-d-xylopyranoside +C[C@](NO)(O)SC[C@@H](C(=O)O)N C3Y s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine +c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 C3Z 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O C40 n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N C41 aliskiren +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N C42 3'-amino-2'-deoxy-cytidine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C43 2'-o-methyoxyethyl-cytidine-5'-monophosphate +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O C44 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C45 n4-methoxy-2'-deoxy-cytidine-5'-monophosphate +C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O C46 6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O C47 methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate +CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 C48 n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide +[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F C49 4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate +CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3 C4A ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O C4B 1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione +CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2 C4C n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine +CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C C4D 4,4'-diaponeurosporene +c1ccc(cc1)Nc2c[nH]c3c2cccn3 C4E n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine +COc1cccc(c1)Cc2c[nH]c3c2cccn3 C4F 3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN C4G n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS C4H n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide +CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O C4J (5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5 C4K ~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCC(=O)N[C@@H](CCO)C(=O)O C4L n-butanoyl-l-homoserine +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC C4M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl C4N ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3 C4P n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide +c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3 C4Q 4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline +C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N C4R (r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium +C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C4S 2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate) +CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4 C4T ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O C4V (1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O C4W 1-azido-beta-n-acetyl-d-glucosamine +C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C4X 3,4-epoxybutyl-beta-d-xyloside +c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N C4Y 1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O C4Z (2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C C50 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N C51 (2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide +CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N C52 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one +[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1 C53 2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one +C1C[C@H](C=C1)C(=O)O C54 (1r)-cyclopent-2-ene-1-carboxylic acid +CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C56 4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C57 4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N C58 (2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine +C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N C5A (1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid +C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N C5B (1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid +C1CCC(C1)SSC[C@@H](C(=O)O)N C5C s-cyclopentyl thiocysteine +CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C C5D (1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol +C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 C5E (1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl C5F 2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O C5G [cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester +C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O C5H (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid +c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N C5I 3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile +C(=O)(N)NC(=O)N C5J dicarbonimidic diamide +C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O C5K (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC C5L 2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate) +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC C5M n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC C5N ~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C5P cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4 C5Q 5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid +CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C C5R (2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid +C([C@H](C(=O)O)NC=O)C(=O)O C5S n-formyl-d-aspartic acid +CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC C5U dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5 C5V (1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O C5W 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid +C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C5X 3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside +CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O C5Y 5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC C5Z methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate +CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C C60 [[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O C61 (2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide +c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N C62 4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC C63 (2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate +c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4 C64 n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO C65 (2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide +C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O C66 2-aminoethyllysine-carbonylmethylene-cytosine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O C67 n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine +CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O C68 (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid +COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br C69 (2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O C6A n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide +C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O C6B [(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +C1CCC(CC1)SSC[C@@H](C(=O)O)N C6C s-cyclohexyl thiocysteine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO C6D n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5 C6F 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N C6G 6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl C6H 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one +C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6J [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl C6K 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one +CCCCCC(=O)N[C@@H](CCO)C(=O)O C6L n-hexanoyl-l-homoserine +CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6M [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid +C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O C6N 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C C6O 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O C6P n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O C6Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide +C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C6R n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O C6S (3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O C6T 2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine +C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl C6U n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide +CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F C6V lsz102 +C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1 C6W 3-cyclohexyl-1-propylphosphocholine +CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N C6X 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide +c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S C6Z 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol +c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F C7 n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide +c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl C70 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide +C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN C71 n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide +c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl C72 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl C73 2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1 C75 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O C76 2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C C77 5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine +c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N C78 [1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester +CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N C79 (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl C7A n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide +c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl C7B 2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide +c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl C7C 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N C7G [(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 C7H 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N C7J (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O C7K 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N C7L (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O C7M (2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium +CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1 C7N 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol +C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7O n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl C7P cis-diammine(pyridine)chloroplatinum(ii) +[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2 C7Q (3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7R 2'-deoxy-5'-o-thiophosphonocytidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7S 2'-deoxy-5'-o-thiophosphonocytidine +c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl C7T (3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7U (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F C7V 4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7W (3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7X n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5 C7Y n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C C7Z (1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol +CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O C80 (2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate +Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F C81 (4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one +c1cc(ccc1Nc2cnn[nH]2)Cl C82 ~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F C83 n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O C84 [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid +[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1 C85 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF C86 n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N C87 momelotinib +Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N C88 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C C89 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one +c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O C8A {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) +CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-] C8B (3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione +c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N C8C 2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one +B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-] C8D n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide +CCCCCCCCOCCOCCOCCOCCO C8E (hydroxyethyloxy)tri(ethyloxy)octane +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O C8F 8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide +CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl C8G 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one +CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4 C8H (3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione +c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O C8J (2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2 C8K ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O C8L cucurbit[8]uril +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N C8M 3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e +C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8N [(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN C8O 2-(2-azanylethylamino)-5-nitro-benzoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O C8P n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide +COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8Q (3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O C8R 8-amino-n1-cyclic inosine 5'-diphosphoribose +C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N C8S (2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one +CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC C8U methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O C8V (2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N C8W 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid +c1cc(ccc1C(=O)OCCO)C(=O)OCCO C8X bis(2-hydroxyethyl) benzene-1,4-dicarboxylate +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N C8Y (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile +c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4 C8Z 4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O C90 n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide +c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5 C91 n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide +Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3 C92 n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide +c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O C93 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1 C94 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1 C95 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid +[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1 C96 4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide +c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN C97 n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O C98 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid +C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O C99 {(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl C9A 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate +c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4 C9B (3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine +c1cc(ccc1C(=O)O)C(=O)OCCO C9C 4-(2-hydroxyethyloxycarbonyl)benzoic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2 C9D (2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +CCOC(=O)c1ccnc2c1cc[nH]2 C9E ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate +CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC C9F [(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O C9G 2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +CCCCCSc1[nH]ncn1 C9H 5-(pentylsulfanyl)-1h-1,2,4-triazole +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O C9J 2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +C[C@@H](CNCCO)N C9K 2-[[(2~{s})-2-azanylpropyl]amino]ethanol +CCc1c(nc(nc1N2CCCCC2)N)NC C9L 5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +COC/C=C/c1ccc(c(c1)OC)O C9M 2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol +C[C@@H](CN(C)CCO)N C9N 2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F C9O ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide +B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O C9P 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl C9Q 4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F C9R ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide +CCCCCC[C@@H](C)C(=O)O C9T (2~{r})-2-methyloctanoic acid +CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5 C9U 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F C9V [(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron +Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N C9W 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5 C9X 2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate +c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O C9Y {2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC C9Z (9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +[Ca+2] CA calcium ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N CA0 5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine +CCC(=O)OCC CA1 ethyl propionate +c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O CA2 (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O CA3 coa-s-trimethylene-acetyl-tryptamine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C CA4 cyproterone acetate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O CA5 coa-s-acetyl 5-bromotryptamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O CA6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CA7 7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O CA8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate +C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O CA9 (1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol +CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAA acetoacetyl-coenzyme a +C([C@@H](C(=O)O)N)C(C=O)(O)O CAB 4,4-dihydroxy-5-oxo-l-norvaline +C[As](=O)(C)[O-] CAC cacodylate ion +C[As](=O)(C)O CAD cacodylic acid +CC1(C2CCC1(CC2)C)C CAE camphane +C[As](=O)(C)SC[C@@H](C(=O)O)N CAF s-dimethylarsinoyl-cysteine +C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O CAG guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester] +CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C CAH 5-exo-hydroxycamphor +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O CAI carbomycin a +CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAJ ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O CAK [(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CAL 5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid +CC1([C@@H]2CC[C@]1(C(=O)C2)C)C CAM camphor +C(CON)[C@@H](C(=O)O)N CAN canaline +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O CAO oxidized coenzyme a +C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O CAP 2-carboxyarabinitol-1,5-diphosphate +c1ccc(c(c1)O)O CAQ catechol +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O CAR cytosine arabinose-5'-phosphate +C[As](C)SC[C@@H](C(=O)O)N CAS s-(dimethylarsenic)cysteine +CCCCCCCCCCCC[N+](C)(C)C CAT dodecane-trimethylamine +CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O CAU (2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol +CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O CAV 5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid +c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CAW n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide +C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O CAX (2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone +C([C@@H](C(=O)O)N)SCC(=O)O CAY carboxymethylenecysteine +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O CAZ acylated ceftazidime +C(=C\Br)\Br CB0 cis-dibromoethene +c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N CB1 5-(aziridin-1-yl)-2,4-dinitrobenzamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CB2 phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O CB3 10-propargyl-5,8-dideazafolic acid +B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O CB4 pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate +[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153 CB5 cobalt bis(1,2-dicarbollide) +Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O CB6 (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid +c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5 CB7 (1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate +c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4 CB8 (1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C CB9 (2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O CBA n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate +[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N CBB 1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester +c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl CBC n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O CBD cibacron blue +CC1=C(SCCO1)C(=O)Nc2ccccc2 CBE 2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O CBF (2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide +CCC=O CBG propanal +C(CCSCC[C@@H](C(=O)O)N)CC(=O)O CBH s-(d-carboxybutyl)-l-homocysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBI cellobiose +c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CBJ 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBK 4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose +c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl CBL chlorambucil +CC(=O)O CBM carboxymethyl group +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O CBN clorobiocin +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBO carbenoxolone +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO CBP 2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide +c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O CBQ [(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O CBR 5-bromo-2'-deoxy-cytidine-5'-monophosphate +c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl CBT n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine +C1(C(C(C(C(C1O)O)O)O)O)O CBU (1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CBV 5-bromocytidine 5'-(dihydrogen phosphate) +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBW (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid +C(=O)O CBX carboxy group +CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O CBY cob(ii)inamide +c1ccc(cc1)COC=O CBZ carbobenzoxy group +C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C CC0 (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N CC1 {4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid +Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one +c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F CC3 n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide +C=C(C[SeH])C(=O)O CC4 2-(selanylmethyl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N CC5 beta-d-erythrofuranosyl-adenosine +c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O CC6 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O CC7 4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one +C[C@H](CS)C(=O)O CC8 (2s)-2-methyl-3-sulfanylpropanoic acid +COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O CC9 curcumin +C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC CCA 2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester +C1CCC(C1)N(C=O)C2CCC2 CCB cyclobutyl(cyclopentyl)formamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O CCC cytidine-5'-phosphate-2',3'-cyclic phosphate +C[C@H](CCC[N+](C)(C)C)O CCD (4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium +C[N+](C)(C)CCOC(=O)N CCE 2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C CCH [7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron +CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O CCI calicheamicin gamma-1-oligosaccharide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O CCK [1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid +C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N CCL n~6~-[(cyclopentyloxy)carbonyl]-d-lysine +CC1(CCCC1)C(=O)O CCM 1-methyl-1-carboxy-cyclopentane +CC#N CCN acetonitrile +c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O CCO carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol +CCCCP(=O)(O)O CCP butylphosphonate +CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O CCQ l-carnitinyl-coa inner salt +Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC CCR [n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine +C([C@@H](C(=O)O)N)SCC(=O)O CCS carboxymethylated cysteine +Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N CCT 5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +C(=C/C(=O)O)/C=C\C(=O)O CCU (2z,4z)-hexa-2,4-dienedioic acid +CC1=C(NC(=O)NC1=O)CC(CO)CO CCV 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione +CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N CCW (s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid +c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N CCX 3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide +c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O CCY 2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one +[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N CCZ phenyl (4-carbamimidoylbenzyl)phosphonate +[Cd+2] CD cadmium ion +CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O CD0 2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol +[OH2][Cd+2] CD1 cadmium ion, 1 water coordinated +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid +[OH2][Cd+2]([OH2])[OH2] CD3 cadmium ion, 3 waters coordinated +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC CD4 (2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate +[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2] CD5 cadmium ion, 5 waters coordinated +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2 CD6 (2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O CD7 (2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2 CD8 (2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4 CD9 5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F CDA 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide +Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C CDB 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide +C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O CDC [2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium +c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F CDD 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide +CC(C)[C@@H](C)N CDE 1,2-dimethyl-propylamine +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDF 4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O CDG methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside +CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N CDH d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline +C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO CDI 2c-methyl-d-erythritol 2,4-cyclodiphosphate +c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl CDJ 5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one +CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC CDK 4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC CDL cardiolipin +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O CDM 4-diphosphocytidyl-2-c-methyl-d-erythritol +CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O CDN cardiolipin +[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N CDO 2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDP cytidine-5'-diphosphate +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CDQ 6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR (2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol +Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O CDS (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CSCC[C@H](C(=O)O)NC(=O)N CDT 4-methylsulfanyl-2-ureido-butyric acid +CCCCCCCCCCNC(=O)NC1CCCCC1 CDU n-cyclohexyl-n'-decylurea +CC(C)[C@H](C(=O)O)NC(=O)N CDV 3-methyl-2-ureido-butyric acid +C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O CDW (4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one +C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 CDX (s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione +c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N CDY 2-chlorodideoxyadenosine +CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O CDZ 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one +[Ce+3] CE cerium (iii) ion +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O CE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO CE1 o-dodecanyl octaethylene glycol +CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+] CE2 3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O CE3 (6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O CE4 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CE5 cellopentaose +C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CE6 cellohexaose +C([C@@H](C(O)(O)O)N)C(=O)N CE7 (3s)-3-amino-4,4,4-trihydroxybutanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O CE8 cellooctaose +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CE9 dodecyl nona ethylene glycol ether +C([C@@H](C(=O)O)N)SO CEA s-hydroxy-cysteine +CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CEB 2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine +C(CCl)NC=O CEC chloroethylcarbamoyl group +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CED 5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)CCCl CEE (2-chloroethyl)benzene +CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O CEF cefotaxime, c3' cleaved, open, bound form +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O CEG 4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C CEH 5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O CEI n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide +C1CC(=O)CC1=O CEJ cyclopentane-1,3-dione +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O CEK (9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F CEL 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide +C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O CEM n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O CEN 7beta-(4carboxybutanamido) cephalosporanic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 CEO 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CEP cephalothin group +CC[Si](C)(C)C CEQ ethyl-trimethyl-silane +C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O CER (2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O CES 2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CET 2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine +CNc1cc(nc(n1)N)N2CCN(CC2)C CEU n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N CEV ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O CEW (2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CEX alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CEY alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O CEZ 4-o-beta-d-glucopyranosyl-d-gluconic acid +[Cf+3] CF californium ion +CF CF0 fluoromethane +COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F CF1 2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O CF2 2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine +c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F CF3 9,9,9-trifluoro-8-oxo-n-phenylnonanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O CF4 [4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O CF5 coformycin 5'-phosphate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C CF6 n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N CF7 (2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide +c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S CF8 (~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid +c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-] CF9 2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate +c1cc(c(cc1Cl)Cl)OCC(=O)O CFA (2,4-dichlorophenoxy)acetic acid +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N CFB 2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine +CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O CFC 1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene +C[C@H](\C=C(/C)\[C@@H](C)N)C=O CFD (2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O CFE (8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +Cn1cnc2c1C(=O)N(C(=O)N2C)C CFF caffeine +CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3 CFG n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide +C(C(F)(F)F)(C(F)(F)F)O CFH 1,1,1,3,3,3-hexafluoropropan-2-ol +c1ccc(cc1)N(N=O)O CFI 1-hydroxy-2-oxo-1-phenylhydrazine +CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N CFJ (3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide +c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N CFK 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFL 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one +S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48 CFM fe-mo-s cluster +N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 CFN fe(7)-mo-s(9)-n cluster +O([Fe])[Fe]Cl CFO chloro diiron-oxo moiety +c1[nH]c2c(n1)c(nc(n2)F)Cl CFP 6-chloro-2-fluoropurine +C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine +C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N CFS 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid +C(F)(F)F CFT trifluoromethane +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O CFU (2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O CFV [(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid +CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 CFX cefoxitin +c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N CFY [(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFZ 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) +c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N CG 4-amidinoindan-1-one-2'-amidinohydrazone +CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3 CG0 n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O CG1 5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N CG2 cytidyl-2'-5'-phospho-guanosine +c1ccc(c(c1)[N+](=O)O)O CG3 hydroxy(2-hydroxyphenyl)oxoammonium +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O CG4 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC CG5 (9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +C[C@H]([C@@H](C(=O)O)N)S CG6 beta-methyl-cysteine +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid +CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CG8 (2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid +c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 CG9 6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine +C(CC(=O)OCC(=O)O)C(C(=O)O)N CGA carboxymethylated glutamic acid +C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O CGB calystegine b2 +c1ccc2c(c1)nc(s2)O CGD 1,3-benzothiazol-2-ol +COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2 CGE clopidogrel +C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O CGF c-(1-azido-alpha-d-glucopyranosyl) formamide +c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O CGG chlorogenic acid +C1CCCC(CC1)NCC(=O)O CGH n-cycloheptylglycine +Cc1nnc2n1-c3ccccc3COC2 CGJ 1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N CGK 3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid +C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N CGL cystine-glutathione +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C CGM (4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside +C1CC(=O)N[C@@H]1C=O CGN 5-oxo-pyrrolidine-2-carbaldehyde +c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+] CGO sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N CGP 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate +c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N CGQ 3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O CGR cyclic guanosine diphosphate-ribose +CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC CGS n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride +c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO CGT carba-glucotropaeolin +C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N CGU gamma-carboxy-glutamic acid +C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O CGV s-[(r)-carboxy(hydroxy)methyl]-l-cysteine +C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CGW (2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid +CCc1c(nc(nc1N2CCCCC2)N)NC3CC3 CGX n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O CGY (1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol +C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N CH n3-protonated cytidine-5'-monophosphate +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C CH0 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O CH1 3'-deoxy-cytidine-5'-triphosphate +[CH2] CH2 methylene group +C CH3 methyl group +C(CNCC(CNCCN)C=O)N CH4 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal +C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O CH5 2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium +CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N CH6 {(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O CH7 [(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc(cc1)Oc2ccc(cc2O)Cl CH8 5-chloro-2-phenoxyphenol +c1ccc(cc1)c2ccccc2O CH9 2-hydroxybiphenyl +C1CCC(CC1)C[C@@H](CO)N CHA 1-hydroxy-2-amino-3-cyclohexylpropane +c1cc(c(cc1C(=O)O)Cl)O CHB 3-chloro-4-hydroxybenzoic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O CHC 6-ethyl-chenodeoxycholic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHD cholic acid +C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N CHF cyclohexylfluorostatone +C1CCC(CC1)[C@@H](C(=O)O)N CHG cyclohexyl-glycine +CC(=O)CCC[N+](C)(C)C CHH n,n,n-trimethyl-4-oxopentan-1-aminium +c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F CHI 5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide +CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl CHJ 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one +C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O CHK 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O CHL chlorophyll b +C(C(=O)CCl)Cl CHM 1,3-dichloro-propan-2-one +C1CC(CCC1CN)N CHN 4-aminomethyl-cyclohexylamine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHO glycochenodeoxycholic acid +c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O CHP 3-chloro-4-hydroxyphenylglycine +c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2 CHQ cyclo-(l-histidine-l-proline) inhibitor +Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC CHR neocarzinostatin-chromophore +C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N CHS 4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid +C[N+](C)(C)CCO CHT choline ion +CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC CHU n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide +c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl CHV 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O CHW 3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde +C1CCCCC1 CHX cyclohexane +c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O CHZ 1,8-dihydroxyanthracene-9,10-dione +c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI1 (2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C CI2 (5beta)-pregnane-3,20-dione +c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI3 (2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O CI4 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one +c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O CI9 n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 CIA 6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C CIB 2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O CIC citryl-thioether-coenzyme *a +c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl CID 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC CIE 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester +c1c(nc(cn1)Cl)N CIG 2-amino-6-chloropyrazine +C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O CIH (2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide +CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2 CII n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F CIJ 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C CIL cilastatin +c1cc(ccc1\C=C\C(=O)O)C(=O)O CIN 4-carboxycinnamic acid +COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N CIO cilomilast +C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O CIP inositol-2-methylene-1,2-cyclic-monophosphate +CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC CIQ 2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine +C(C[C@@H](C(=O)O)N)CNC(=O)N CIR citrulline +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O CIS (15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide +C(C(=O)O)C(CC(=O)O)(C(=O)O)O CIT citric acid +c1cc(ccc1NC(=O)NC2CCCCC2)I CIU n-cyclohexyl-n'-(4-iodophenyl)urea +c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O CIV 2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 CIW 5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O CIX n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide +COc1cc(ccc1O)/C=C/C=O CIY (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal +C/C(=C/C(=O)O)/C(=O)O CIZ (~{z})-2-methylbut-2-enedioic acid +CNc1cc(nc(n1)N)N2CCOCC2 CJ0 n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O CJ1 7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol +COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F CJ2 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide +B1(c2ccccc2C=NN1C(=S)N)O CJ3 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide +CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F CJ4 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F CJ5 1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3 CJ6 n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F CJ7 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole +CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O CJ8 (2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide +c1c(nc(nc1N2CCCCC2)N)NC3CC3 CJ9 n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2 CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CJB 1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl CJC 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one +CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC CJD 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOC(=O)[C@H](C)C(=O)C CJE ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate +c1c(nc(nc1N2CCOCC2)N)NC3CC3 CJF n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl CJG 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N CJH (2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide +c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N CJJ 5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide +Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N CJK 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4 CJL n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO CJM 2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol +CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C CJN ~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine +C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O CJO [(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN CJP 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine +c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5 CJQ 2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide +CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3 CJR n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N CJT 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide +CNc1cc(nc(n1)N)N2CCCCC2 CJU n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC CJV methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate +c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CJW 6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N CJX (2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol +c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O CJY 3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl CJZ 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N CK0 (2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1cnc(nc1c2cc(sc2Cl)Cl)N CK1 4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N CK2 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O CK3 n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F CK4 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O CK5 3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O CK6 4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] CK7 [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C CK8 n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O CK9 2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol +c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O CKA 7-chlorokynurenic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CKB 1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione +CC(=O)[C@H](CCCCN)N CKC (3s)-3,7-diaminoheptan-2-one +c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKD (s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide +CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN CKE 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine +c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2 CKG 8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F CKH 2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide +c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl CKI n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide +CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F CKJ 1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F CKK n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide +COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N CKL 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide +C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKM n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C CKN (3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide +CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 CKO e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide +C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O CKP 6-o-phosphono-beta-d-psicofuranosonic acid +c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKQ 4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid +c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N CKR 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKS n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O CKT cys-ketimine +CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O CKU (3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid +C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKV n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKW (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O CKX (2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid +C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKY n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O CKZ (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +[Cl-] CL chloride ion +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL0 chlorophyll a isomer +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL1 alpha chlorophyll a +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL2 beta chlorophyll a +CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4 CL3 n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide +c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-] CL4 n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide +C(CNCC(=O)O)C=O CL5 n-(3-oxopropyl)glycine +c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 CL6 1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole +CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C CL7 chlorophyll d +c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CL8 chloramphenicol succinate +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N CL9 2-chloro-2'-deoxyadenosine +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C CLA chlorophyll a +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLB d-para-chlorophenyl-1-acetamidoboronic acid alanine +CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O CLC n-acetyl-p-nitrophenylserinol +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLD d-para-chlorophenyl-1-acteamidoboronic acid alanine +CC(C)C[C@@H](C(=O)N)N CLE leucine amide +[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLF fe(8)-s(7) cluster +C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N CLG 2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid +C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N CLH 2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid +c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl CLI 3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid +Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C CLJ calicheamicin alpha3i +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N CLK alpha-n-dichloroacetyl-p-aminophenylserinol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C CLL cholesteryl linoleate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CLM chloramphenicol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O CLN sulfur substituted protoporphyrin ix +[Cl-] CLO chloro group +[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLP fe-s cluster +CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl CLQ n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CLR cholesterol +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O CLS cephalothin +c1ccc(cc1)CCCC(=O)O CLT 4-phenyl-butanoic acid +c1cc(c(c(c1)Cl)N=C2NCCN2)Cl CLU 2,6-dichloro-n-imidazolidin-2-ylideneaniline +C[C@@H](C1N=CC(=O)N1CC(=O)O)N CLV {(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2c(cc1Cl)NC(=O)O2 CLW chlorzoxazone +C(=O)C(Cl)(Cl)Cl CLX tri-chloro-acetaldehyde +CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl CLY clindamycin +c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N CLZ 5-chloryl-2,4,6-quinazolinetriamine +CC(=O)O CM carboxymethyl group +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O CM0 5-(carboxymethoxy) uridine-5'-monophosphate +C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O CM1 carboxymycobactin s +c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O CM2 carboxymycobactin t +C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5 CM3 (2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol +C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O CM4 (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol +C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CM5 5-cyclohexyl-1-pentyl-beta-d-maltoside +c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4 CM6 (2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide +CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O CM7 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O CM8 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2 CM9 cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N CMA n2-(carboxyethyl)-l-arginine +Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl CMB 1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O CMC carboxymethyl coenzyme *a +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O CMD 3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin +C(CSSC[C@@H](C(=O)O)N)O CME s,s-(2-hydroxyethyl)thiocysteine +c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5 CMF 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 CMG 6-o-cyclohexylmethyl guanine +C[Hg]SC[C@@H](C(=O)O)N CMH s-(methylmercury)-l-cysteine +[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N CMI 1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide +CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC CMJ (20s)-20-methyldotetracontane +C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O CMK cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid +C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O CML (2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC CMM 2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CMN (1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +[C-]#[O+] CMO carbon monoxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N CMP adenosine-3',5'-cyclic-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2 CMQ n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O CMR 2'-deoxy-cytidine-5'-rp-monomethylphosphonate +CN(CC(=O)O)C(=O)N CMS carbamoyl sarcosine +COC(=O)[C@H](CS)N CMT o-methylcysteine +[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl CMU 5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil +CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CMV (2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2 CMW 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O CMX carboxymethyldethia coenzyme *a +C(CCCNC(=O)O)CCN CMY (6-aminohexyl)carbamic acid +Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C CMZ (2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol +C#N CN cyanide +C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O CN0 (2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid +O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O CN1 oxo-iron cluster 2 +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC CN2 2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide +CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC CN3 (2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CN4 n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide +CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O CN5 (5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate +CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC CN6 (2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6 CN7 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC CN8 (4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide +Cc1c2c(ccn1)c3ccccc3[nH]2 CN9 1-methyl-9h-pyrido[3,4-b]indole +c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N CNA carba-nicotinamide-adenine-dinucleotide +O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O CNB oxo-iron cluster 1 +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O CNC cyanocobalamin +c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O CND 5-beta-d-ribofuranosylnicotinamide adenine dinucleotide +CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC CNE (3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid +O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O CNF oxo-iron cluster 3 +C1CCCC(CCC1)NCC(=O)O CNG n-cyclooctylglycine +CC(C)(C#N)O CNH 2-hydroxy-2-methylpropanenitrile +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N CNI 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile +c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CNK (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol +CC1(C2CCC(O1)(CC2)C)C CNL 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane +CC(=O)N CNM acetamide +C(#N)N CNN cyanamide +CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O CNO 2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O CNP 2-propenyl-n-acetyl-neuraminic acid +c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N CNQ 3-(4-chlorophenyl)quinoxaline-5-carboxamide +C[C@@H](C(=O)O)Cl CNR (2s)-2-chloropropanoic acid +CCCCCCCCCCCCCCCCOC(=O)CCCCCCC CNS hexadecyl octanoate +CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O CNT n-methyl-meta-chloro-tyrosine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N CNU 5-cyano-uridine-5'-monophosphate +CCC#N CNV propanenitrile +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N CNW 7-diethylamino-2-oxo-chromene-3-carboxamide +CCCCCCC#N CNX heptanenitrile +C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N CNY 13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] CNZ l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +[Co+2] CO cobalt (ii) ion +CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O CO0 (3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione +C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C CO1 17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol +C(=O)=O CO2 carbon dioxide +C(=O)([O-])[O-] CO3 carbonate ion +Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC CO4 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine +[OH2][Co+3]([OH2])([OH2])([OH2])[OH2] CO5 cobalt ion,5 waters coordinated +CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO6 isobutyryl-coenzyme a +C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O CO7 s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO8 octanoyl-coenzyme a +C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N CO9 1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O COA coenzyme a +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O COB co-methylcobalamin +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC COC cocaine +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O COD dephospho coenzyme a +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O COE furo[2,3d]pyrimidine antifolate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O COF trifluoroacetonyl coenzyme a +CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N COG 2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O COH protoporphyrin ix containing co +CC(C)CC(=O)C(=O)O COI 2-oxo-4-methylpentanoic acid +C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O COJ hydrogenobyrinic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O COK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O COL 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid +C(CS(=O)(=O)O)S COM 1-thioethanesulfonic acid +[NH3][Co+3]([NH3])([NH3])[NH3] CON cobalt tetraammine ion +CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O COO crotonyl coenzyme a +c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O COP n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid +CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N COQ 2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N COR 2,4-diamino-1,5-diphenyl-3-hydroxypentane +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O COS coenzyme a persulfide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O COT coa-s-acetyl tryptamine +c1ccc2c(c1)C=CC(=O)O2 COU coumarin +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C COV (1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O COW anthraniloyl-coenzyme a +Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N COX 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O COY co-(adenin-9-yl-pentyl)-cobalamin +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O COZ coenzyme a +C(=O)(N)OP(=O)(O)O CP phosphoric acid mono(formamide)ester +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7 CP0 (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate +CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N CP1 2-(methylamino)-ethylglycine-carbonylmethylene-cytosine +C[C@@H](CCl)Cl CP2 1,2-dichloro-propane +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C CP3 coproporphyrinogen iii +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl CP4 bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol +c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-] CP5 (2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate +CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl CP6 5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)c2ccccc2 CP7 6-ethyl-5-phenylpyrimidine-2,4-diamine +C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4 CP8 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid +Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O CP9 3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N CPA 2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate +C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O CPB 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one +C[C@H]1C[C@]1(C(=O)O)NC CPC 2-methyl-1-methylamino-cyclopropane carboxylic acid +CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl CPD [1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester +c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4 CPF 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N CPG guanosine-5'-phosphate +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O CPH (1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose +C1CCN[C@H](C1)C(=O)O CPI 6-carboxypiperidine +CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O CPJ bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane +CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O CPK bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CPL 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine +CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O CPM s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane +C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O CPN 2-aminoethylglycine-carbonylmethylene-cytosine +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO CPO coprogen +C[C@@H](CC1CC1)C=O CPP 2-cyclopropylmethylenepropanal +C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CPQ n,n-bis(3-d-gluconamidopropyl)deoxycholamide +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl CPR 6-chloropurine riboside, 5'-monophosphate +C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPS 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate +[NH3][Pt]([NH3])(Cl)Cl CPT cisplatin +c1ccc(cc1)CCCNC(=O)NC2CCCCC2 CPU n-cyclohexyl-n'-(propyl)phenyl urea +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CPV 5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid +C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CPW (s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid +CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4 CPX n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide +C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N CPY 1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one +c1cc(ccc1c2cnc[nH]2)Cl CPZ 4-(4-chlorophenyl)imidazole +Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 CQ0 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O CQ1 [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O CQ2 {(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl CQ3 n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide +[O-][Cr](=O)(=O)[O-] CQ4 chromate +C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4 CQ5 3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one +CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3 CQ6 7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine +Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6 CQ7 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide +CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3 CQ8 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide +CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4 CQ9 (3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione +CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl CQA 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol +CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O CQB (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C CQC 5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione +c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3 CQD 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione +CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F CQE n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide +Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C CQF (6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine +c1cnccc1O CQG pyridin-4-ol +CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-] CQH 5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC CQI [(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +Cc1ccnc(c1)O CQJ 4-methylpyridin-2-ol +c1cnc(cc1c2n[nH]nn2)C(=O)NO CQK ~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +c1cc2c(cc(c(c2nc1)O)I)Cl CQL 5-chloro-7-iodoquinolin-8-ol +C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O CQM citramalyl-coa +CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 CQN bepridil +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN CQO 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine +c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl CQP (4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 CQQ 4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CQR [(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N CQS 2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3 CQT ~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3 CQU n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCCc1ccc(nc1)C(=O)O CQV 5-butylpyridine-2-carboxylic acid +c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl CQW 5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CQX (2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol +CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-] CQY (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone +c1cnc(cc1C(=O)O)NCCCO CQZ 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid +[Cr+3] CR chromium ion +CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O CR0 [2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde +COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CR1 n-(methoxycarbonyl)-beta-d-glucopyranosylamine +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CR2 {(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N CR3 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] CR4 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate +C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O CR5 (2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium +CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CR6 1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O CR7 [(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N CR8 2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate +C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F CR9 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate +COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CRA 1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide +C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O CRB [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid +CCCCCCCCCC(=O)O CRC capric acid +C\C=C\C=O CRD (2e)-but-2-enal +CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C CRE germacrene a +C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O CRF [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O CRG [2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC CRH 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene +Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO CRI 5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F CRJ n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide +CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O CRK 4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate +C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2 CRL n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide +C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O CRM 3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid +CN(CC(=O)O)C(=N)N CRN n-[(e)-amino(imino)methyl]-n-methylglycine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O CRO {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl CRP ((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O CRQ [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5 CRR 3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid +Cc1cccc(c1)O CRS m-cresol +C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC CRT spirilloxanthin +[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O CRU 4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid +c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F CRV n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N CRW [2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N CRX [2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid +C(C(CO)O)O CRY propane-1,2,3-triol +c1ccc2c(c1)c3ccccc3n2CCCC(=O)O CRZ 4-(9h-carbazol-9-yl)butanoic acid +[Cs+] CS cesium ion +C(CSC[C@@H](C(=O)O)N)O CS0 s-(2-hydroxyethyl)-l-cysteine +c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N CS1 s-(2-anilinyl-sulfanyl)-cysteine +C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O CS2 d-mannonic acid +c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N CS3 s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine +c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl CS4 s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C CS5 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C CS7 n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide +CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CS8 3-thiaoctanoyl-coenzyme a +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C CS9 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide +CC(=O)CSC[C@@H](C(=O)O)N CSA s-acetonylcysteine +C([C@@H](C(=O)O)N)S[Pb+] CSB cys bound to lead ion +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O CSC 4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium +C([C@@H](C(=O)O)N)[S@@](=O)O CSD 3-sulfinoalanine +C([C@@H](C(=O)O)N)[SeH] CSE selenocysteine +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O CSF cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N CSG 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O CSH [2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid +[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O CSI amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid +c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N CSJ s-[(2-aminophenyl)carbonyl]-l-cysteine +C[Se]SC[C@@H](C(=O)O)N CSK s-(methylselanyl)-l-cysteine +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O CSL (d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate +COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O CSM 1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O CSN n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium +C([C@@H](C(=O)O)N)SO CSO s-hydroxycysteine +C([C@@H](C(=O)O)N)SP(=O)(O)O CSP s-phosphocysteine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSQ o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate +C([C@@H](C(=O)O)N)S[As](=O)(O)O CSR s-arsonocysteine +C([C@@H](C(=O)O)N)SS CSS s-mercaptocysteine +C([C@@H](C(=O)O)N)SS(=O)(=O)O CSU cysteine-s-sulfonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSV o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate +C([C@@H](C(=O)O)N)S(=O)O CSW cysteine-s-dioxide +C([C@@H](C(=O)O)N)[S@H]=O CSX s-oxy cysteine +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O CSY [(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C([C@@H](C(=O)O)N)S[SeH] CSZ s-selanyl cysteine +c1csc(n1)NC(=O)C(=O)NC2CCCC2 CT0 n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide +CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C CT1 (1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate +CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2 CT2 1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CT3 beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4 CT5 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol +c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4 CT6 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine +CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl CT7 (5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine +c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4 CT8 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N CT9 4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide +c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O CTA cyclotheonamide a +B(CNC(=O)Cc1cccs1)(O)O CTB n-2-thiophen-2-yl-acetamide boronic acid +C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O CTC 7-chlorotetracycline +C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTD 3-deazacytidine +c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N CTE 7-chlorotryptophan +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC CTF (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate +C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O CTG (5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate +C([C@H]([C@@H](C(=O)O)N)O)Cl CTH 4-chlorothreonine +C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5 CTI 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O CTJ 1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium +CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O CTK 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid +c1ccc2c(c1)CC[C@@H]([C@@H]2O)N CTL cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O CTM (2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTN 4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O CTO triacetylchitotriose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O CTP cytidine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CTR cellotriose +C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O CTS castanospermine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O CTT beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7 CTU 3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one +CC(=CCC/C(=C\C#N)/C)C CTV (2z)-3,7-dimethylocta-2,6-dienenitrile +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F CTW n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 CTX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O CTY clarithromycin +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O CTZ c2-hydroxy-coelenterazine +[Cu+2] CU copper (ii) ion +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O CU0 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[Cu+] CU1 copper (i) ion +[Cu+3] CU3 copper (iii) ion +CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F CU4 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide +COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O CU5 s-dihydrowogonin +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 CU6 [cuii(biot-et-dpea)]2+ +C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O CU7 (2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate +Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N CU8 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C CU9 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium +[Cu][Cu] CUA dinuclear copper ion +CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+] CUB cu(i)-s-mo(iv)(=o)o-nbic cluster +C1CCC(CC1)[C@@H](C(=O)O)N CUC cyclohexylglycyl +C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N CUD 3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine +c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O CUE coumestrol +c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F CUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii) +CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O CUG (2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O CUH 2,3,4-trihydroxybenzophenone +S1[Cu]S([Cu]1)([Cu])[Cu] CUK [4cu:2s] cluster +Cl[Cu]Cl CUL copper (ii) chloride +O[Mo+6](=O)S[Cu+] CUM cu(i)-s-mo(vi)(=o)oh cluster +O[Mo+4](=O)S[Cu+] CUN cu(i)-s-mo(iv)(=o)oh cluster +O1[Cu]O[Cu]1 CUO cu2-o2 cluster +c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3 CUP (n-salicyliden-l-phenylalanato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(c(c2)O)O CUQ [3,4-bis(oxidanyl)phenyl]-phenyl-methanone +COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O CUR (1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one +CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2 CUS (n-salicyliden-l-leucinato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(cc2O)O CUT [2,4-bis(oxidanyl)phenyl]-phenyl-methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N CUU [(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni] CUV fe(4)-ni(1)-s(4) cluster, oxidized +C(C[C@H]([C@@H](C(=O)O)N)O)CN CUW (2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid +c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl CUX 2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CUY tetracosyl octadecanoate +S123[Cu]4[Cu]15[Cu]24[Cu]35 CUZ (mu-4-sulfido)-tetra-nuclear copper ion +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C CV0 mesoporphyrin ix containing rh +c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N CV1 (2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide +C=C(c1ccccc1)[C@@H](N)P(=O)(O)O CV2 (s)-(1-amino-2phenylallyl)phosphonic acid +CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O CV3 (3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione +CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F CV4 n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3 CV5 (3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F CV6 tezacaftor +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O CV7 desisobuytyryl ciclesonide +C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC CV8 2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O CV9 (2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 CVA 2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide +B(c1ccc(cc1)\C=C\C(=O)O)(O)O CVB 4-(carboxyvin-2-yl)phenylboronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O CVC [(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate +COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O CVD (2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol +C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 CVE (3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid +CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O CVF 3-[4-(2-acetamidoethyl)phenyl]benzoic acid +Cc1ccc(nn1)O CVG 6-methylpyridazin-3-ol +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C CVI crystal violet +CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3 CVJ (1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4 CVK 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C CVL 5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one +C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CVM cymal-4 +c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F CVN 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one +C1CNCCC1COC(=O)N2CCC(CC2)(CN)F CVO piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate +c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4 CVP 4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide +COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC CVQ 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol +[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O CVR cyclic adenosine 5'-diphosphocarbocyclic ribose +COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3 CVT 3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide +C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O CVU l-fuculose open form +c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O CVV n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide +Cc1ccc2c(c1)c(c[nH]2)CCN CVW 2-(5-methyl-1~{h}-indol-3-yl)ethanamine +CCCCO[P@@](=O)(C)O CVX o-butlylmethylphosphonic acid ester group +CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] CVZ 3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione +c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F CW0 piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O CW1 cotylenin a +C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl CW2 n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C CW4 (4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC CW5 1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea +CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O CW6 2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol +CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O CW7 cotylenin a +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C CWA (4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C CWB 1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide +CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3 CWC 4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl CWD 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CWE r-naringenin +C[C@@H](CCCCCCC(=O)O)N CWF (8s)-8-azanylnonanoic acid +Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C CWG 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine +C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C CWH [(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate +Cc1cc2cc(ccc2[nH]1)OC CWJ 5-methoxy-2-methyl-1h-indole +c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWK 3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile +C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N CWL (3r)-3-[(1r)-1-azanylethyl]nonanedioic acid +Cc1[nH]c2c(n1)cccc2O CWM 2-methyl-1h-benzimidazol-7-ol +Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C CWN ntme polyamide +[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] CWO co(ii)-substituted wells-dawson +Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C CWP n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine +C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O CWQ 2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium +CC1=NCN(C1=O)CC(=O)O CWR (4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid +Cc1ccc2c(c1)c(ncn2)N CWS 6-methylquinazolin-4-amine +CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C CWT (5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O CWU 5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O CWV [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br CWW 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWX 4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide +COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N CWY (1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5 CWZ n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N CX0 [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4 CX1 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O CX2 2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5 CX3 [2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+) +c1cc2c(cc1Cl)ncnc2NCC3CC3 CX4 7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine +c1cc2c(cc1C(=O)N3CCCCC3)nccn2 CX5 piperidin-1-yl(quinoxalin-6-yl)methanone +c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O CX6 2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O CX7 cotylenol +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5 CX8 [2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C CX9 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione +c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N CXA phenylalanine-n-sulfonamide +B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O CXB [(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N CXC [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl CXD 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide +CCCCCCCCCCOCCOCCOCCOCCOCCO CXE pentaethylene glycol monodecyl ether +C1CCC(CC1)NC=O CXF cyclohexylformamide +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O CXG methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +c1cc(c(cc1NC(=O)CS)Cl)Cl CXH ~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide +c1c(cc(cc1F)F)[C@@H](C(=O)O)O CXJ (2s)-(3,5-difluorophenyl)(hydroxy)acetic acid +C1CCC(CC1)O CXL cyclohexanol +CSCC[C@@H](C(=O)O)NC(=O)O CXM n-carboxymethionine +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O CXN cloxacillin +C1CCC(=O)C(=O)C1 CXO cyclohexane-1,2-dione +C1CCC(CC1)CCC(=O)O CXP cyclohexane propionic acid +CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4 CXQ benztropine +[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O CXR cyclic adenosine diphosphate-ribose +C1CCC(CC1)NCCCS(=O)(=O)O CXS 3-cyclohexyl-1-propylsulfonic acid +CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O CXT carboxyatractyloside +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXU cloxacillin (open form) +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXV (2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O CXW 2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol +CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CXX 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O CXY cytidine-5'-diphospho-beta-d-xylose +c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl CXZ 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol +c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N CY0 s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine +CC(=O)NCSC[C@@H](C(=O)O)N CY1 acetamidomethylcysteine +C([C@@H](C(=O)N)N)S CY3 2-amino-3-mercapto-propionamide +CCCC(=O)SC[C@@H](C(=O)O)N CY4 s-butyryl-cystein +CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C CY6 n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide +CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N CY7 s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine +C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 CY8 cyclopamine +C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O CY9 (3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate +O.O CYA two oxygen atoms bound to sg of cys +CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C CYB phycourobilin +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C CYC phycocyanobilin +C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYD 2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid +Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C CYE 45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene +c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O CYF 5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid +C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYG 2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid +C1CCC(=O)CC1 CYH cyclohexanone +[C-]#[N+]C1CCCCC1 CYI cyclohexyl isocyanide +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O CYJ (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine +CCCCCC(=O)N[C@@H](CCS)C(=O)O CYK n-hexanoyl-l-homocysteine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CYL valienamine +CSC[C@@H](C(=O)O)N CYM s-methylcysteine +[C-]#N CYN cyanide ion +O.O.O CYO oxygens bound to cys sg +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N CYP 9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene +C([C@@H](C(=O)O)N)SCP(=O)(O)O CYQ 2-amino-3-phosphonomethylsulfanyl-propionic acid +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N CYR n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate +C([C@@H](C(=O)O)N)S CYS cysteine +C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 l-cysteine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])S CYS_LEO2H l-cysteine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)O)N)S CYS_LFOH l-cysteine free neutral +C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG l-cysteine-free neutral/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW l-cysteine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG l-cysteine-free zwitterion/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH-])S CYS_LL l-cysteine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG l-cysteine-linking embedded fragment/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 l-cysteine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg +C1=C(NC(=O)N=C1)N CYT 6-aminopyrimidin-2(1h)-one +C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O CYU calyculin a +CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C CYV ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate +C[C@H](C(=O)SC[C@@H](C(=O)O)N)O CYW s-[(2r)-2-hydroxypropanoyl]-l-cysteine +C=C(CCP(=O)(O)O)C=O CYX (3-formyl-but-3-enyl)-phosphonic acid +C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N CYY 2-deoxystreptamine +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4 CYZ cyclothiazide +CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O CZ0 8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one +C([C@@H](C(=O)O)N)S[As](O)O CZ2 s-(dihydroxyarsino)cysteine +C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC CZ3 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole] +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl CZ4 5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3 CZ5 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide +B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N CZ6 2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid +B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O CZ7 ({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ8 ({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ9 n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide +CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O CZA (6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO CZB (2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZC [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN CZD (8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O CZE (2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZF [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-] CZG 2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O CZH c2-hydroperoxy-coelenterazine +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO CZI (2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O CZJ (3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O CZK (2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24 CZL l-cluster (fe8s9) +Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C CZM 'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine' +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO CZN (2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O CZO [(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O CZP (8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one +C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F CZQ 2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone +c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N CZS 3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine +C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O CZT (2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O CZU [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F CZV 6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cccc(c1C)[C@H](C)c2c[nH]cn2 CZX 4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole +C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C CZY 6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C([C@@H](C(=O)O)N)S[As]O CZZ thiarsahydroxy-cysteine +CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D00 2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate) +c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-] D01 2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide +COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F D02 methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4 D03 (s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3 D04 4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide +CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O D05 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one +CNc1c2cnn(c2nc(n1)Cl)C D07 6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO D08 2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide +C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D09 5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F D0A n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC D0B 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one +c1cc(ccc1C[C@H](C(=O)O)N)Cl D0C 4-chloro-d-phenylalanine +COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4 D0E 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3 D0F (2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CC[C@H](C)CCCCCCCCCCCCC(=O)O D0G (14s)-14-methylhexadecanoic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C D0H 6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide +COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O D0J (2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC D0K 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O D0L (2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CCC(CC)N D0M pentan-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O D0N (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C D0O (4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid +c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O D0P n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N D0Q 5-methyl-l-tryptophan +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O D0R n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5 D0S n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O D0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c(cc1N)S)C(=O)O D0U 4-azanyl-2-sulfanyl-benzoic acid +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D0V (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0W sampatrilat-asp +CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl D0X [ru(eta(6)-p-cymene)cl-2(pta) +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl D0Y (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0Z sampatrilat +CCCCCCCCCC D10 decane +C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O D11 d-phosphothreonine +CCCCCCCCCCCC D12 dodecane +C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I D13 4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine +C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1 D14 7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide +c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl D15 n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide +CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O D16 tomudex +c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3 D17 n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid +CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N D18 2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5 D19 2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] D1A n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N D1B 2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride +c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N D1C 4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide +C1[C@H]([C@@H](CSS1)O)O D1D (4s,5s)-1,2-dithiane-4,5-diol +CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1F 1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CN(C)Cc1ccc(o1)c2cccnc2 D1G n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine +Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C D1H 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1I 3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one +CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1J 1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1K 3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl D1L 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1M 5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)ccc(c2O)O D1N naphthalene-1,2-diol +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O D1P 2'-deoxy-ribofuranose-5'-phosphate +CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1 D1Q 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4 D1R nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC D1S (4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CCCCCCCCCCS D1T decane-1-thiol +CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C D1U 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide +c1ccc2c(c1)C(=O)NC(=N2)S D1V 2-mercapto(3h)quinazolinone +CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine +C1C(=CC(=O)NC1=O)C(=O)O D1X 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid +c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O D1Y (2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5 D1Z ~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide +COCCNC(=N)NCCC[C@@H](C(=O)O)N D20 n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC D21 (2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate +CCCCCCCCNCCCCCCCC D22 n-octyloctan-1-amine +CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N D23 6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5 D24 2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan +c1ccc(cc1)c2cc(on2)c3cc[nH]n3 D25 3-phenyl-5-(1h-pyrazol-3-yl)isoxazole +c1ccc(cc1)c2ncc(s2)c3cc[nH]n3 D26 phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole +COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O D27 2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid +Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O D28 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid +c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F D29 (z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol +[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N D2A 2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine +CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2B 5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O D2C (2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide +CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2D 5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4 D2E 5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine +CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2F 5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CNCc1ccc(o1)c2cccnc2 D2G n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine +CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2H 5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O D2J 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid +CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2K ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate +CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC D2L [(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate +COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC D2M 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol +CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2N ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4 D2O 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +C([C@@H](CCl)Cl)O D2P (2s)-2,3-dichloropropan-1-ol +CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2Q ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC D2R 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid +c1cc(c(cc1O)O)SSc2ccc(cc2O)O D2S 4,4'-disulfanediyldibenzene-1,3-diol +CS[C@H]([C@@H](C(=O)O)N)C(=O)O D2T (3r)-3-(methylsulfanyl)-l-aspartic acid +Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C D2U (2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D2V (3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol +CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC D2W 4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide +Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O D2X 3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O D2Y methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside +C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2 D2Z 2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium +c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3 1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole +CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F D30 [(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid +c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5 D31 2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide +Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C D32 (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid +c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D33 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5 D34 2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5 D35 2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan +CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D36 n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D37 n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O D38 n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC D39 (2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl D3A (1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid +Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C D3B 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F D3C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC D3D (19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate +C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O D3E n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] D3F 2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene +c1cc(cnc1)c2ccc(o2)CN D3G (5-(pyridin-3-yl)furan-2-yl)methanamine +c1cc(ccc1N)NC(=O)CN D3H ~{n}-(4-aminophenyl)-2-azanyl-ethanamide +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D3J (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3K (2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine +COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3 D3L (5-methoxy-1h-indol-2-yl)-phenyl-methanone +COc1c(ccc(c1C(=O)O)Cl)Cl D3M 3,6-dichloro-2-methoxybenzoic acid +c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3N 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one +[2H][O+]([2H])[2H] D3O trideuteriooxidanium +c1c(cc(cc1O)O)[C@H](C(=O)O)N D3P (2r)-amino(3,5-dihydroxyphenyl)acetic acid +COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3 D3Q (2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O D3R ~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O D3S (6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D3T 2',3'-dideoxy-thymidine-5'-triphosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D3U 2-pcpa derivative +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O D3V 1a,20s-dihydroxyvitamin d3 +COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3W (2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine +COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO D3X n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide +c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O D3Y 3'-deoxy-3'-(d-tyrosylamino)adenosine +C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O D3Z 1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O D40 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3 D41 7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C D42 1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea +CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O D43 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3 D44 n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide +CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C D45 6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1 D46 n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl D47 (3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione +c1ccc2cc(c(cc2c1)O)O D48 naphthalene-2,3-diol +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O D49 2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D4A (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O D4B [(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O D4D 2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O D4F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate +c1cnccc1SSc2ccncc2 D4G 4,4'-dipyridyl disulfide +Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4H (2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O D4I methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D4J (2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4K (2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6 D4L 2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O D4M [(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N D4N 1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O D4O (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +c1cc(ccc1[C@@H](C(=O)O)N)O D4P (2s)-amino(4-hydroxyphenyl)acetic acid +c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N D4Q 2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide +CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC D4R (4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl D4S (6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D4T 2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate +c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O D4U (3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +Cc1cccnc1O D4V 3-methylpyridin-2-ol +c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl D4W 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O D4X (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one +c1cc2c(cc1F)[C@@H](C(=O)N2)O D4Y (3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4 D4Z 2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O D50 n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine +Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N D51 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N D52 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1ccc(cc1)CNCCS(=O)(=O)O D53 2-(benzylamino)ethanesulfonic acid +C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O D54 4-deoxy-l-threo-hex-5-ulosuronic acid +CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC D55 4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide +CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C D56 4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O D57 dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate +C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4 D58 4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide +Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl D59 n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide +c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+] D5B [8-(azaniumylmethyl)anthracen-1-yl]methylazanium +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N D5C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N D5E paromamine +C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O D5F 3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one +CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2 D5G (2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O D5H 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid +c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 D5I n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N D5M 2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F D5N (2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O D5O 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one +Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC D5Q 4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C D5T 1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione +COc1ccccc1C(=O)CCc2ccccc2C(=O)O D5U 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D5V (1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C D5W (2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide +CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D5X (2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate +COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N D5Y methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N D5Z (4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O D60 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid +c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3 D61 (2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N D62 (4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N D63 4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N D64 6-(4-methylphenyl)quinazoline-2,4-diamine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F D65 2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O D66 n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F D67 2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C D68 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione +[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D69 [[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F D6A (3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol +CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC D6C [(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO D6D (1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O D6E (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid +CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC D6F 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O D6G 2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4 D6I 6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine +CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3 D6J (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide +C[C@@H]1C[C@H](OC(O1)(C)C)O D6K (4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O D6M n-hexadecanoyl-l-glutamic acid +C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81 D6N fev +C(=C\C(=O)O)\C(=O)NC=O D6O (~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid +C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O D6P (3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid +c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F D6Q 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC D6R 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D6S (1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC D6T ~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5 D6U 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3 D6V 2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole +CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5 D6W 2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide +Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C D6X n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine +CC(C)(C)c1cc(no1)CC2(COC2)N D6Y 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine +c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F D6Z 2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D70 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4 D71 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl D72 (2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D73 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D74 (1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O D75 daidzein-7-o-glucuronide +C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1 D76 (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide +C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O D77 methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC D78 (5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide +Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C D79 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol +COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N D7A n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5 D7B (s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C D7C 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone +CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2 D7D n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide +CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F D7E 4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide +CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C D7F 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC D7G ((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N D7H (s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O D7I 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate +CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2 D7J tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O D7K 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O D7L 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2 D7M tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F D7N 2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N D7P d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide +CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O D7Q 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid +Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7R 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C D7S (5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid +Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C D7T 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7U 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one +CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3 D7V (3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl D7W 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea +Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C D7X n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide +CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 D7Y tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl D7Z ptcl2(1(r),2(r)-dach) +CCCCc1nc2c(o1)c3ccccc3nc2N D80 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine +CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3 D81 s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N D82 beta-saxitoxinol +[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N D83 2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide +c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F D84 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one +C1CCN(CC1)C(=[NH2+])N D86 [azanyl(piperidin-1-yl)methylidene]azanium +CCCCc1cc2c3ccccc3nc(c2o1)N D87 2-butylfuro[2,3-c]quinolin-4-amine +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC D88 4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C D89 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one +C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D8A (1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol +Cc1cccc(n1)C#Cc2cccc(c2)OC D8B 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine +Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C D8C n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide +CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O D8D 1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline +Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C D8E ~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide +CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] D8F (4-nitrophenyl) hexanoate +Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F D8G 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC D8H 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +COc1cccc(c1)CNCCS(=O)(=O)O D8I 2-[(3-methoxybenzyl)amino]ethanesulfonic acid +c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F D8J 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol +Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO D8K ~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide +CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O D8L (2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid +c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O D8M 2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide +CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2 D8N ~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide +Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C D8P [(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol +CN1C=C(C=CC1=O)C(=O)NCCN D8Q ~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1ccc2c(c1)ccc3c2sc(c3)C(=O)O D8S benzo[g][1]benzothiole-2-carboxylic acid +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O D8T d-arabinonic acid +[2H+] D8U deuterium(1+) +CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O D8V 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N D8W 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D8X (2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate +c1cc(cc(c1)Cl)CCc2cccnc2N D8Y 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine +C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C D8Z artemether +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D90 n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl D91 5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D92 n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D93 n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7 D94 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine +C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C D95 artesunate +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O D96 n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid +c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5 D97 (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N D98 2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide +CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O D99 (3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl D9A n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid +CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C D9B ~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC D9C 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO D9D (1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O D9F (3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one +CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] D9G n-dodecyl-n,n-dimethylglycinate +c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N D9H 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide +Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2 D9K ~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +CC(=O)NCCSC(=O)CCC(=O)O D9L 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid +c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4 D9M (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC D9N methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O D9O 4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5 D9P 1-desthiobiotinylpyrene +CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 D9Q 1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide +CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4 D9S 2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide +CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N D9T ~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN D9U 1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9V (1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br D9W ~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9Y 1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea +c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DA 2'-deoxyadenosine-5'-monophosphate +c1cc(ncc1N)N DA1 pyridine-2,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C DA2 ng,ng-dimethyl-l-arginine +C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N DA3 (2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid +C#Cc1cccc(c1)S(=O)(=O)N DA4 3-ethynylbenzenesulfonamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br DA5 5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br DA6 6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F DA7 5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O DA8 octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside +C(CS)NC(=O)CN=[N+]=[N-] DA9 2-azido-n-(2-sulfanylethyl)ethanamide +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N DAA 8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride +C(CN)[C@@H](C(=O)O)N DAB 2,4-diaminobutyric acid +CCCCCCC\C=C/C(=O)SCCNC(=O)C DAC 2-decenoyl n-acetyl cysteamine +c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N DAD 2',3'-dideoxyadenosine-5'-triphosphate +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAE o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride +C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O DAF 4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N DAG 4-amino-4,6-dideoxy-beta-d-glucopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O DAH 3,4-dihydroxyphenylalanine +CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO DAI (3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione +Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+] DAJ decarbamoyl-2,7-diaminomitosene +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O DAK 4-(n,n-dimethylamino)cinnamoyl-coa +C[C@H](C(=O)O)N DAL d-alanine +CNC(=C)C(=O)O DAM n-methyl-alpha-beta-dehydroalanine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O DAN 2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +CCCCCCCCCCCC(=O)O DAO lauric acid +c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N DAP 6-amidine-2-(4-amidino-phenyl)indole +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAQ o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride +C(C[C@H](C(=O)O)N)CNC(=[NH2+])N DAR d-arginine +C([C@H](C(=O)O)N)C(=O)O DAS d-aspartic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N DAT 2'-deoxyadenosine-5'-diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O DAU 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose +C(CC[NH3+])CC(=O)O DAV delta-amino valeric acid +c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N DAW n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide +C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br DAX 5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide +C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C DAY 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone +N[Zn]N DAZ diaminozinc +C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3 DB0 n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine +c1cc(c(c(c1)O)O)C(=O)N DB1 2,3-dihydroxybenzamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O DB3 (11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC DB4 (2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O DB5 [(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O DB6 (11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCCOC(=O)c1ccccc1C(=O)OCCCC DB7 dibutyl benzene-1,2-dicarboxylate +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N DB9 2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide +Cc1cccc(c1OCC(=O)O)C DBA (2,6-dimethyl-phenoxy)-acetic acid +CC[C@H](C(=O)O)N DBB d-alpha-aminobutyric acid +C([C@@H]1[C@H](OC(O1)O)CS)S DBC (4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol +c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3 DBD 7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +c1cc(ccc1C(=O)c2ccc(cc2)O)O DBE bis(4-hydroxyphenyl)methanone +c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O DBF dibenzofuran-4,6-dicarboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O DBG 3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester +c1cc(c(c(c1)O)O)C(=O)O DBH 2,3-dihydroxy-benzoic acid +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O DBI phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c2c(c1)OCCO2)CO DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol +CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C DBK (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O DBM 9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine +c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6 DBN 6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole +Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O DBO n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide +c1cc(cc(c1)N)CN DBP 1,3-diaminobenzyl phenylalanine +c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O DBQ debromohymenialdisine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DBR adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O DBS 2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid +CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O DBT 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione +C\C=C(\C(=O)O)/N DBU (2z)-2-aminobut-2-enoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O DBV 15,16-dihydrobiliverdin +c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O DBW 4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol +c1cc(c(cc1O)S(=O)(=O)O)O DBX 2,5-dihydroxybenzenesulfonic acid +c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N DBY 3,5 dibromotyrosine +c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N DBZ 3-(benzoylamino)-l-alanine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DC 2'-deoxycytidine-5'-monophosphate +CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N DC0 n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine +CC1(CC(=O)CC(=O)C1)C DC1 5,5-dimethylcyclohexane-1,3-dione +CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O DC2 n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine +Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N DC3 (2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine +c1ccc2c(c1)c3cc(ccc3o2)Cl DC4 2-chlorodibenzofuran +c1ccc(cc1)c2c(cccc2Cl)Cl DC5 2,6-dichlorobiphenyl +CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O DC7 4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol +c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O DC8 (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCA desulfo-coenzyme a +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F DCB 2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCC dodecyl-coa +CCN(CC)C(=S)S DCD diethylcarbamodithioic acid +C(CCl)Cl DCE 1,2-dichloroethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O DCF 2'-deoxycoformycin +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DCG 2'-deoxy-guanosine-5'-monophosphate +CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4 DCH 3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester +CC[C@H](C)CN DCI 2-methyl-butylamine +C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O DCJ n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium +C[N+](C)(C)C[C@H](CC(=O)O)O DCK (2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium +CC(C)C[C@@H](CO)N DCL 2-amino-4-methyl-pentan-1-ol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DCM 2'-deoxycytidine-5'-monophosphate +c1cc(ccc1Oc2ccc(cc2O)Cl)Cl DCN diclosan +C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O DCO 3,3-dichloro-2-phosphonomethyl-acrylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O DCP 2'-deoxycytidine-5'-triphosphate +CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C DCQ 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione +CCCCCCCCCCCCCCCCCCCC(=O)O DCR icosanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O DCS d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DCT 2',3'-dideoxycytidine 5'-triphosphate +C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N DCU 3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium +CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O DCV [(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid +C1CCC(CC1)NC(=O)NC2CCCCC2 DCW dicyclohexylurea +CCCCCCCCCCP(=O)(C)C DCX decyl(dimethyl)phosphine oxide +C([C@H](C(=O)O)N)S DCY d-cysteine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O DCZ 2'-deoxycytidine +c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F DD1 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N DD2 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N DD3 5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine +Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O DD4 (3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol +c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F DD5 (2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C DD6 (3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4 DD7 (1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5 DD8 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one +CCCCCCCCC DD9 nonane +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O DDA beta-d-olivopyranose +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O DDB 3-methyl-2,6-dideoxy-beta-d-allopyranose +c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O DDC 7-hydroxy-2-phenyl-chroman-4-one +C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O DDD (5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid +C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N DDE {3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium +c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O DDF 5,10-dideazatetrahydrofolic acid +c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N DDG 2',3'-dideoxy-guanosine-5'-monophosphate +Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C DDH [7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron +c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N DDI spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci) +COc1cc(ccc1N)c2ccc(c(c2)OC)N DDJ 3,3'-dimethoxybiphenyl-4,4'-diamine +C(CC[C@@H](C[SeH])C(=O)O)CCN DDK (2r)-7-amino-2-(selanylmethyl)heptanoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O DDL 2,6-dideoxy-beta-d-galactopyranose +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DDM 2-hydroxymethyl-piperidine-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O DDN 3,4-dihydro-2'-deoxyuridine-5'-monophosphate +C(CCO)C[C@H](C(=O)O)N DDO 6-hydroxy-d-norleucine +c1(c(nc(nc1O)N)O)N DDP 2,4-diamino-4,6-dihydroxypyrimidine +CCCCCCCCCC[N+](C)(C)[O-] DDQ decylamine-n,n-dimethyl-n-oxide +CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC DDR (2s)-3-hydroxypropane-1,2-diyl didecanoate +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N DDS 2',3'-dideoxyadenosine triphosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O DDT n,o-didansyl-l-tyrosine +C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O DDU 2'-5'dideoxyuridine +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O DDV (1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C(CC[C@@H](CS)C(=O)O)CCN DDW (2r)-7-amino-2-(sulfanylmethyl)heptanoic acid +C1=C[C@H](O[C@@H]1COP(=O)(O)O)O DDX 2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate +C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DDY 2',3'-dideoxycytosine-5'-diphosphate +[C@H](C(O)O)(C(=O)O)N DDZ 3,3-dihydroxy l-alanine +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN DE0 1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine +CCCCCCCCCCO DE1 decan-1-ol +CC(=O)[C@H](CO)O DE2 1-deoxy-l-erythrulose +CCN(CC)C(=O)c1cccc(c1)C DE3 n,n-diethyl-3-methylbenzamide +c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO DE4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol +c1csc(n1)NC(=O)CN DE5 2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN DE6 1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO DE7 (2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol +Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C DE9 3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid +c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N DEA d-eritadenine +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C DEB 6-deoxyerythronolide b +C(CCCCC(=O)O)CCCC(=O)O DEC sebacic acid +CN(C)CCO[P@@](=O)(O)OP(=O)(O)O DED 2-dimethylamino-ethyl-diphosphate +CCOC(=O)c1c([nH]nc1C)C DEE 3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C DEF deferoxamine mesylate fe(iii) complex +CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DEG butyl alpha-d-mannopyranoside +COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O DEH 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium +CS\C=C(\C(=O)O)/O DEI (2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid +CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3 DEJ tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO DEL 4-deoxylactose +CCCCCCCCCCOCO DEM decyloxy-methanol +c1ccc2c(c1)CC=C2 DEN indene +CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O DEO 2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid +CCOP(=O)OCC DEP diethyl phosphonate +Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N DEQ dequalinium +C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DER d-4-phosphoerythronic acid +CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O DES diethylstilbestrol +CCCCCCCCCCC[N+](C)(C)[O-] DET undecylamine-n,n-dimethyl-n-oxide +Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O DEU co(iii)-(deuteroporphyrin ix) +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3 DEV tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1csc2c1CN(CC2)C(=O)CN DEW 2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C DEX dexamethasone +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N DEY (2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide +C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DEZ 4-phospho-d-erythronate +c1ccc(cc1)c2ccc(cc2F)CC(=O)O DF0 (2-fluorobiphenyl-4-yl)acetic acid +C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O DF1 (2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O DF2 (2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol +c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5 DF3 n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O DF4 (3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate +COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N DF5 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium +COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 DF6 n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide +c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO DF7 [4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol +c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N DF8 (2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N DF9 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)C(c2ccccc2)C(=O)O DFA diphenylacetic acid +c1cc(c(c(c1)F)F)CO DFB 2,3-difluorobenzyl alcohol +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DFC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CCCCCCCCCCOC=O DFD decyl formate +CC(OCC(F)(F)F)(F)F DFE 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N DFF 4-benzoyl-d-phenylalanine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DFG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +CC(c1ccccc1)(c2ccccc2)O DFH 1,1-diphenylethanol +CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N DFI 2,2-difluorostatine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O DFJ n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N DFK d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide +c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O DFL 2-(4-hydroxy-phenyl)-chroman-4-one +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N DFM n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O DFN 3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N DFO 2,2-difluoro-3-hydrostatine +CC(C)OP(=O)OC(C)C DFP diisopropyl phosphonate +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC DFQ (2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide +C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O DFR 3-deoxy-3-methyl-beta-d-fructofuranose +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F DFS 2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide +Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DFT 1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate +C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O DFU (2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol +c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O DFV 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O DFW n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine +C1[C@H]([C@@H]([C@H](CO1)F)O)O DFX 1,5-anhydro-2-deoxy-2-fluoro-d-xylitol +CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4 DFY (5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO DFZ 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DG 2'-deoxyguanosine-5'-monophosphate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O DG0 4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid +c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O DG1 (4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O DG2 (2r)-2,3-diphosphoglyceric acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N DG3 2'-3'-dideoxyguanosine-5'-triphosphate +C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O DG4 phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate +C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O DG6 2-deoxy-glucitol-6-phosphate +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4 DG7 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N DG8 2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N DG9 5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC DGA diacyl glycerol +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 DGB (2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O DGC 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC DGD digalactosyl diacyl glycerol (dgdg) +C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O DGF (2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC DGG 1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol +c1cc(ccc1[C@H](C(=O)O)N)O DGH (2r)-amino(4-hydroxyphenyl)acetic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGI 2'-deoxyguanosine-5'-diphosphate +C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O DGJ (2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol +C(CC(=O)O)[C@H](C(=O)O)N DGL d-glutamic acid +[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DGM d-glucopyranosylium +C(CC(=O)N)[C@H](C(=O)O)N DGN d-glutamine +C1=CO[C@@H]([C@H]([C@@H]1O)O)CO DGO d-glucal +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DGP 2'-deoxyguanosine-5'-monophosphate +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O DGQ (s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid +c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O DGR (e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O DGS 3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGT 2'-deoxyguanosine-5'-triphosphate +C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O DGU d-galacturonic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl DGV 1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide +Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl DGW (5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O DGX digoxin +C([C@H](C(=O)O)O)O DGY (2r)-2,3-dihydroxypropanoic acid +C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O DGZ n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide +COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O DH1 2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine +c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DH2 (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N DH3 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine +CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C DH4 2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N DH5 n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc(cc1)/C=C/C(=O)N DH6 cinnamide +CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C DH7 (6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene +C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4 DH8 (2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate +CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O DH9 (2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid +C=C(C(=O)O)N DHA 2-amino-acrylic acid +c1cc(c(cc1C(=O)O)O)O DHB 3,4-dihydroxybenzoic acid +c1cc(c(cc1\C=C\C(=O)O)O)O DHC caffeic acid +C(C(=O)C(=O)O)C(=O)C(=O)O DHD 2,4-dioxo-pentanedioic acid +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O DHE heme d +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N DHF dihydrofolic acid +CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO DHG phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester +C(CCC(O)O)C[C@@H](C(=O)O)N DHH (s)-2-amino-7,7-dihydroxyheptanoic acid +c1c([nH+]c[nH]1)C[C@H](C(=O)O)N DHI d-histidine +C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O DHJ 4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid +C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O DHK 3-dehydroshikimate +C(CS)N DHL 2-amino-ethanethiol +C[C@H](CCCC(C)(C)O)C=C DHM 2,6-dimethyl-7-octen-2-ol +C(C[C@@H](C(=O)O)N)CO DHN 5-hydroxy norvaline +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DHO deoxycholic acid +CCCCCCCCCCC1=C(C(=O)NC1=O)O DHP 3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline +Cc1cccc2c1CCNC2=O DHQ 3,4-dihydro-5-methyl-isoquinolinone +c1cc(ccc1[C@@H](C#N)O)O DHR (2s)-hydroxy(4-hydroxyphenyl)ethanenitrile +C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O DHS 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DHT 5-alpha-dihydrotestosterone +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O DHU 5,6-dihydrouridine-5'-phosphate +CC(C)([C@H](C(=O)O)N)O DHV 3-hydroxy-d-valine +c1cc(c(cc1CC(=O)O)O)O DHY 2-(3,4-dihydroxyphenyl)acetic acid +C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O DHZ 3,4-dihydro-1h-pyrimidin-2-one nucleoside +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O DI 2'-deoxyinosine-5'-monophosphate +CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O DI0 dirithromycin +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C DI1 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI2 ac-(d)phe-pro-borolys-oh +B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI3 ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh +B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI4 ac-(d)phe-pro-borohomolys-oh +B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI5 ac-(d)phe-pro-borohomoornithine-oh +C(CC(=O)O)[C@H]1C(=O)NC(=O)N1 DI6 3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid +Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O DI7 2,6-dimethyl-l-tyrosine +c1ccc2c(c1)C[C@H](NC2)C(=O)O DI8 (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C1CCC(C1)OP(=O)(N)OC2CCCC2 DI9 dicyclopentyl phosphoramidate +C(CCCCN)CCCN DIA octane 1,8-diamine +CN(C)CCCN DIB 3-amino-(dimethylpropylamine) +c1ccc2c(c1)C(=C(OC2=O)Cl)Cl DIC 3,4-dichloroisocoumarin +c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N DID 4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide +CCc1cccc(c1O)CC DIE 2,6-diethylphenol +c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl DIF 2-[2,6-dichlorophenyl)amino]benzeneacetic acid +C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DIG 2,5-dideoxy-2,5-imino-d-glucitol +c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO DIH 7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +CC(C)OP(=O)(C)OC(C)C DII methylphosphonic acid diisopropyl ester +CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C DIK 5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid +CC[C@@H](C)[C@H](C(=O)O)N DIL d-isoleucine +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O DIM diimidazole lexitropsin +c1cc2cc(ccc2c(c1)O)O DIN 1,6-dihydroxy naphthalene +C1COCCO1 DIO 1,4-diethylene dioxide +CCCCCNCCCCC DIP dipentylamine +C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O DIQ 2-methyl-decahydro-isoquinoline-3-carboxylic acid +C([C@@H](C(=O)O)N)N/C(=N/O)/N DIR 3-{[(e)-amino(hydroxyimino)methyl]amino}alanine +O DIS disordered solvent +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC DIT ditercalinium +c1c(cc(c(c1C(=O)O)O)I)I DIU 2-hydroxy-3,5-diiodo-benzoic acid +CC[C@](C)(C(=O)O)N DIV d-isovaline +CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C DIW 1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium +CNCCCC1CCCC1 DIX methyl(cyclopentyl-propyl)amine +CCCC[C@@H]1CCCNC1 DIY 5-butylpiperidine +c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl DIZ (4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid +c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4 DJ1 tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N DJ2 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O DJ3 5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F DJ4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol +c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl DJ6 2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide +Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl DJ8 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4 DJ9 2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C DJB 3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F DJC 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal +Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N DJD 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O DJE 2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O DJF [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F DJH 2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O DJJ 5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br DJK n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+] DJL (1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium +Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C DJM 2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide +CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO DJN n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO DJO (phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate +c1c(cnc(n1)O)F DJP 5-fluoropyrimidin-2-ol +c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7 DJQ 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC DJR (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate +CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O DJS 2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl DJT (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3 DJU n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O DJV n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F DJW 1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one +CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4 DJX n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine +[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N DJY 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N DJZ 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile +C[C@H](Cc1ccccc1)O DK0 (2~{r})-1-phenylpropan-2-ol +c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl DK1 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid +c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O DK2 2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid +CCCCCCCCC[C@@H](CC(=O)OC)O DK3 methyl (3s)-3-hydroxydodecanoate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F DK4 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F DK5 1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +CCC(O)O DK6 propane-1,1-diol +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O DK7 n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C DK8 2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione +CCCCC(O)O DK9 pentane-1,1-diol +CCCCCCCCCC(=O)O DKA decanoic acid +c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O DKD (2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid +CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O DKE fcmaytansine +CCCCCC(O)O DKF hexane-1,1-diol +Cc1ccnnc1 DKG 4-methylpyridazine +Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C] DKH 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide +c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F DKI 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide +C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C DKJ n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide +[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N DKK n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide +CCCCCCC(O)O DKL heptane-1,1-diol +CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O DKM 5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid +C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C DKN disorazole z +CCCCCCCC(O)O DKO octane-1,1-diol +CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O DKP 2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)Cl)\N DKQ 4-chloranylbenzenecarboximidamide +Cc1ccc(cc1)CNC(=O)c2ccc[nH]2 DKR n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl DKS 2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O DKT 4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O DKU 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl DKV 2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O DKW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKX 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O DKY 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKZ 4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl DL0 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4 DL1 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl DL2 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one +CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 DL3 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C DL4 (14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N DL5 spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O DL6 n-(azidoacetyl)-beta-d-glucopyranosylamine +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C DL7 (5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid +c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O DL8 n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine +c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO DL9 (e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol +C[C@H](C(=O)O)O DLA d-lactic acid +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O DLB 3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid +C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O DLC (3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O DLD 2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside +CC(C)C[C@H](C(=O)O)N DLE d-leucine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O DLF 2-deoxy-alpha-l-fucopyranose +CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O DLG hexyl 3-deoxy-beta-d-galactopyranoside +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl DLH 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F DLI (3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DLJ 2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC DLK 2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione +c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O DLL 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine +c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O DLM 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium +CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N DLN 3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC DLP 1,2-dilinoleoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4 DLR (2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C DLS di-acetyl-lysine +C[N+](C)(CCCC(=O)O)CCF DLT 3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium +C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O DLU (4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide +CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O DLW (5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one +C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C DLX 2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione +C(CCN)C[C@H](C(=O)O)N DLY d-lysine +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C DLZ 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +CN(C)CCCC[C@@H](C(=O)O)N(C)C DM0 n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM1 daunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O DM2 doxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM3 6-deoxydaunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O DM4 1-o-demethyl-6-deoxydoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O DM5 idarubicin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O DM6 4'-epidoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I DM7 4'-deoxy-4'-iododoxorubicin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O DM8 2'-bromo-4'-epidaunorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O DM9 n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin +CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C DMA dimethylallyl diphosphate +Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O DMB 2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid +CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O DMC 3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid +Cc1cc2c(cc1C)nc[nH]2 DMD 5,6-dimethylbenzimidazole +C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C DME decamethonium ion +CN(C)C=O DMF dimethylformamide +CN(C)CC(=O)O DMG n,n-dimethylglycine +CN(C)C(=O)C[C@@H](C(=O)O)N DMH n4,n4-dimethyl-asparagine +Cc1[nH+]ccn1C DMI 2,3-dimethylimidazolium ion +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DMJ 1-deoxymannojirimycin +CC(C)([C@@H](C(=O)O)N)C(=O)O DMK 3,3-dimethyl aspartic acid +[CH3].[CH3] DML terminal dimethyl +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O DMM 3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin +CNC DMN dimethylamine +C(CC(C(F)F)(C(=O)O)N)CN DMO alpha-difluoromethylornithine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O DMP [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O DMQ [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone +C([C@H](C(=O)O)O)C(=O)O DMR 2-hydroxy-succinic acid +CS(=O)C DMS dimethyl sulfoxide +C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O DMT 3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid +CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O DMU decyl-beta-d-maltopyranoside +CC[C@](C)([C@H](C(=O)O)O)O DMV 2,3-dihydroxy-valerianic acid +CC1=C(C(=O)c2ccccc2C1=O)C DMW 2,3-dimethyl-1,4-naphthoquinone +C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1 DMX 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O DMY distamycin a +Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3 DMZ 4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)O DN unknown 2'-deoxynucleotide +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4 DN0 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide +CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN1 3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN2 3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 DN3 3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O DN4 [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DN5 (2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3 DN6 n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +c1ccnc(c1)Oc2ccc(cc2)C(=O)O DN7 4-[(pyridin-2-yl)oxy]benzoic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3 DN8 3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O DN9 (2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)O DNA 1,4-dihydroxy-2-naphthoic acid +c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N DNB (2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol +c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-] DNC 3,5-dinitrocatechol +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O DND nicotinic acid adenine dinucleotide +CCCC[C@H](C(=O)O)N DNE d-norleucine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O DNF 2,4-dinitrophenol +CCCC[C@H](C(=O)O)NC=O DNG n-formyl-d-norleucine +C1CC[C@H]([C@@H](C1)N)N DNH 1r,2r-diaminocyclohexane +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DNJ 1-deoxy-nojirimycin +CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DNK (2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +C(CCC=O)CCN DNL 6-amino-hexanal +CCCC[C@H](C(=O)O)NC DNM n-methyl-d-norleucine +C[C@@H]([C@@H](CCCCCC(=O)O)N)N DNN 7,8-diamino-nonanoic acid +C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O DNO d-mannose +C([C@@H](C(=O)O)N)[NH3+] DNP 3-amino-alanine +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-] DNQ 6,7-dinitroquinoxaline-2,3-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O DNR 2'-deoxy-n3-protonated cytidine-5'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N DNS n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine +CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] DNT 2-[1-methylhexyl]-4,6-dinitrophenol +Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DNV 2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N DNW 3-[(2,4-dinitrophenyl)amino]-l-alanine +c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-] DNX 3,4-dinitrophenol +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl DNY 2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N DNZ (2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DO1 2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C(CC(C=O)(O)O)[C@@H](C(=O)O)N DO2 5,5-dihydroxy-6-oxo-l-norleucine +C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O DO3 10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid +C(CC(=O)C(=O)O)C=O DO4 2,5-dioxopentanoic acid +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O DO5 (2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC DO6 (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O DO7 [(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O DO8 3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid +c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4 DO9 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea +C(CCCCCC(=O)O)CCCCCN DOA 12-amino-dodecanoic acid +c1cc(c(cc1O)O)C(=O)O DOB 2,4-dihydroxybenzoic acid +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N DOC 2',3'-dideoxycytidine-5'-monophosphate +[2H]O[2H] DOD deuterated water +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO DOE (s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-] DOF (s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O DOG digoxigenin +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N DOH beta-hydroxy aspartic acid +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DOI 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine +C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3 DOJ n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DOK (2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C DOL 5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O DOM 2'-deoxymaltose +C(CC(=O)CN=N)[C@@H](C(=O)O)N DON 6-diazenyl-5-oxo-l-norleucine +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5 DOO 6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CCCCCCCCOP(=O)(O)OCCCCCCCC DOP dioctylphosphate +C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O DOQ (2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid +C1[C@H](NC(=O)NC1=O)C(=O)O DOR (4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DOS delta-bis(2,2'-bipyridine)imidazole osmium (ii) +c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N DOT 3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate +CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N DOV 1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O DOW (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside +C1COCCO1 DOX dioxane +c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O DOY [(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid +CN(C)[Zn]O DOZ (dimethylamino)(hydroxy)zinc' +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O DP [(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C DP0 disopyramide +C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-] DP1 l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide +C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N DP2 l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide +C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-] DP3 n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine +C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-] DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O DP5 1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop yranose +C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O DP6 (3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid +[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C DP7 ac-(d)phe-pro-boroarg-oh +CN(C)CCOc1ccc(cc1)Oc2ccccc2 DP8 n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine +C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N DP9 l-n(omega)-nitroarginine-(4r)-amino-l-proline amide +COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O DPA 4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate) +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O DPB (s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C DPC 5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid +CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3 DPD n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine +CCCCCCCCCCC[P@@H](=O)OC DPE n-undecanylphosphonate methyl ester group +CCOP(=O)(O)OCC DPF diethyl hydrogen phosphate +CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C DPG phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester +C[C@@H](Cc1ccccc1)C(=O)O DPH deamino-methyl-phenylalanine +CCOP(=S)(O)OCC DPJ o,o-diethyl hydrogen thiophosphate +C[C@H](Cc1ccccc1)N(C)CC=C DPK deprenyl +C1[C@H](NCC1=O)C(=O)O DPL 4-oxoproline +Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O DPM 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +c1ccc(cc1)C[C@H](C(=O)O)N DPN d-phenylalanine +[O-]P(=O)([O-])OP(=O)([O-])[O-] DPO diphosphate +C([C@@H](C(=O)O)N)N DPP diaminopropanoic acid +C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O DPQ (s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid +C1C[C@@H](NC1)C(=O)O DPR d-proline +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O DPS 3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid +Cc1ccnc2c1ccc3c2nccc3C DPT 4,7-dimethyl-[1,10]phenanthroline +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N DPU mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid +CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C DPV dodecyl 2-(trimethylammonio)ethyl phosphate +CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C DPW decyl 2-trimethylazaniumylethyl phosphate +Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C DPX mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester +c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O DPY 2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate +c1c(cc(c2c1C(=O)NNC2=O)N)N DPZ 3,5-diaminophthalhydrazide +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O DQ0 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid +CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N DQ1 ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate +c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DQ2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl DQ3 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O DQ5 2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol +Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ6 (2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ7 (2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN DQ8 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O DQ9 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid +C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O DQA 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid +c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N DQB 4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid +CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F DQD n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O DQF 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DQG 2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DQH (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3 DQJ n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O DQK (2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid +c1c(cc2c(c1O)nc(s2)N)S DQL 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DQM (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC1=C(C(=O)C(=C(C1=O)C)C)C DQN duroquinone +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl DQO 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br DQP {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DQQ 2,5-dideoxy-2,5-imino-d-mannitol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O DQR beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C DQS 5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O DQT methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside +c1cc2c(cc1N)c(nc(n2)N)O DQU 2,6-diamino-3h-quinazolin-4-one +c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O DQV [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@@H](COC[C@H](C)O)O DQW (2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol +c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F DQX 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline +CS(C)CCC(=O)O DQY 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid +c1cc(ccc1CCC(=O)O)Br DQZ 3-(4-bromophenyl)propanoic acid +CCCCCC[N+](C)(C)CO DR0 n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium +Cn1c2ccccc2cc-3nc4ccccc4c13 DR1 5-methyl-5h-indolo[3,2-b]quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O DR2 6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose +CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O DR3 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O DR4 methyl 9-(beta-d-talopyranosyloxy)nonanoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O DR5 methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO DR6 alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl) +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC DR7 (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester +CC#CC#CC#C[N+](C)(C)C DR8 n,n,n-trimethylhepta-1,3,5-triyn-1-aminium +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC DR9 1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O DRA 11-deoxy-beta-rhodomycin +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 DRB delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N DRC 9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5 DRD 2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid +C(CCCNCCCCCCN)CCN DRE n-(6-aminohexyl)hexane-1,6-diamine +CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O DRF (2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid +c1ccc-2c(c1)CCc3c2nnc(c3)N DRG 5,6-dihydro-benzo[h]cinnolin-3-ylamine +CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRH (2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC DRI 2,6-dideoxy-4-o-methyl-beta-d-glucopyranose +CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRJ (2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O DRK 3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one +CC1=NC2=C(CSCC2)C(=O)N1 DRL 2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one +C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O DRM {[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid +[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C DRN bisindolylmaleimide ix +Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl DRO 1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide +c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DRP 2-deoxyribofuranosyl-pyridine-5'-monophosphate +CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DRQ (9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C DRR (9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O DRS (9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O DRT 2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DRU delta-bis(2,2'-bipyridine)imidazole ruthenium (ii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N DRV [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DRW (2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O DRX [(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5 DRY [(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid +C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O DRZ 3',4'-dihydroxy-pentanal-5'-phosphate +C1[C@H](C(=NO1)OP(=O)(O)O)N DS0 [(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate +c1c(cnc(n1)N)O DS1 2-aminopyrimidin-5-ol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O DS2 {4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid +CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O DS3 5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O DS4 [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid +CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS5 (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS6 (4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid +Cc1cc(c(n1C)C)C(=O)O DS7 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O DS8 (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F DS9 (2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one +C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DSA 4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O DSB 4,7-dioxosebacic acid +CCCCCCCCCCCCS(=O)(=O)[O-] DSC dodecanesulfonate ion +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N DSD 7-(carboxyamino)-8-amino-nonanoic acid +CN[C@H](CO)C(=O)O DSE n-methyl-d-serine +[C@H](C(F)(F)F)(OC(F)F)F DSF (2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane +C([C@H](C(=O)O)N)C(=O)N DSG d-asparagine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N DSH 5'-s-(3-aminopropyl)-5'-thioadenosine +C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4 DSI 4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +CC(=O)c1ccc(cc1O)N DSJ 1-(4-amino-2-hydroxyphenyl)ethan-1-one +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O DSK (2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name) +CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C DSL mono-trans, octa-cis decaprenyl-phosphate +CNCCCN1c2ccccc2CCc3c1cccc3 DSM 3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine +C([C@H](C(=O)O)N)O DSN d-serine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DSO adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide +C([C@H](C(=O)O)N)C(=O)O DSP d-aspartic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O DSQ (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S DSR 2,6-dideoxy-4-thio-beta-d-allopyranose +CSC[S@@](=O)C DSS methyl methylsulfinylmethyl sulfide +CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C DST dimethylallyl s-thiolodiphosphate +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O DSU ((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 DSV n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC DSX batimastat +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O DSY 5-(dimethylamino)-2-naphthalenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N DSZ 5'-o-(l-alpha-aspartylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DT thymidine-5'-monophosphate +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DT0 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N DT1 4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N DT2 4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S DT3 (2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N DT4 4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N DT5 4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO DT6 2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose +COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N DT7 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1 DT8 n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC DT9 (1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N DTA (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol] +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O DTB 6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid +c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O DTC bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone] +C1[C@@H]([C@H](CSS1)O)O DTD dithiane diol +c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N DTE 7-cl-d-tryptophan +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O DTF 4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid +CC(C)(C)CC(=O)O DTG des-amino t-butyl glycine +C[C@@H]([C@H](C(=O)O)N)O DTH d-threonine +Cc1csc[n+]1C DTI 3,4-dimethylthiazolium ion +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C DTJ 4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O DTK (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C([C@@H]([C@H](CO)O)O)O DTL l-treitol +CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N DTM 2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +[O-]S(=O)S(=O)[O-] DTN dithionite +C([C@H]([C@@H](CSO)O)O)S DTO 1-hydroxysulfanyl-4-mercapto-butane-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N DTP 2'-deoxyadenosine 5'-triphosphate +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O DTQ 4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N DTR d-tryptophan +c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O DTS 2-{[(s)-phenylsulfinyl]methyl}benzoic acid +C([C@@H]([C@H](CS)O)O)S DTT 2,3-dihydroxy-1,4-dithiobutane +C([C@H]([C@H](CS)O)O)S DTU (2r,3s)-1,4-dimercaptobutane-2,3-diol +C([C@H]([C@@H](CS)O)O)S DTV (2s,3s)-1,4-dimercaptobutane-2,3-diol +c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DTW [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O DTX digitoxigenin +c1cc(ccc1C[C@H](C(=O)O)N)O DTY d-tyrosine +S[Zn]S DTZ zinc(ii)hydrogensulfide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O DU 2'-deoxyuridine-5'-monophosphate +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1 DU0 2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol +CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride +Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU2 2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine +c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU3 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine +C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4 DU4 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine +c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3 DU5 ~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide +c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4 DU6 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea +Cc1cc(nc(n1)N)Cl DU7 4-chloro-6-methylpyrimidin-2-amine +c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N DU8 3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C DU9 6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O DUA 2',5'-dideoxy-5'-(tritylamino)uridine +c1cc(c(c(c1)Cl)O)Cl DUB 2,6-dichlorophenol +C1CNC(=O)NC1=O DUC dihydropyrimidine-2,4(1h,3h)-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O DUD deoxyuridine-5'-diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN DUE (2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid +c1cc(c(cc1OCC=O)Cl)F DUG (3-chloro-4-fluorophenoxy)acetaldehyde +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F DUH 2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide +C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1 DUK (2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide +CCSc1cccc(c1)c2ccc(s2)C(=O)N DUL 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide +* DUM dummy atoms +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O DUN 2'-deoxyuridine 5'-alpha,beta-imido-diphosphate +C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DUO 4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O DUP 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO DUQ (2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O DUR 2'-deoxyuridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O DUS 2'-deoxy-5'-o-sulfouridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O DUT deoxyuridine-5'-triphosphate +[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DUU 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine +C#CCCC[C@H](C=O)C(=O)O DUV (2r)-2-methanoylhept-6-ynoic acid +c1ccc(cc1)C[C@H](C=O)C(=O)O DUW (2r)-2-methanoyl-3-phenyl-propanoic acid +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F DUX 2,3-deoxy-3-fluoro-5-o-trityluridine +CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O DUY (2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid +c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DUZ 5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN DV0 1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O DV1 (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O DV2 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)S DV3 1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol +CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C DV4 4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O DV6 [(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium +c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N DV7 l-(7-hydroxycoumarin-4-yl)ethylglycine +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV8 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide +C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N DV9 (2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid +CC(C)[C@H](C(=O)O)N DVA d-valine +C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O DVC (2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1 DVD n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C DVE obtusifoliol +C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO DVG divanadate glycerol ester +C=C[C@@H]1CC[C@@H]([C@H](C1)O)O DVH (1s,2s,4r)-4-ethenylcyclohexane-1,2-diol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1 DVJ n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C1CN(CCN1CCCCN)CCO DVK 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol +Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O DVL 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde +CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N DVM acetylsisomicin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N DVN [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DVP methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate +C1CN(CCN1CCO)CCO DVQ 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol +c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O DVR 3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid +[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-] DVT decavanadate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C DVW five-coordinate platinum(ii) compound +[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F DVX [(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate +c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DVZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C DW0 1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O DW1 ruthenium pyridocarbazole +c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O DW2 ru-pyridocarbazole-2 +C(C=O)O DW3 2-oxidanylethanal +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW4 benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C DW5 five-coordinate platinum(ii) compound +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW7 benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O DW8 [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O DW9 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol +COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F DWA (4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine +COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl DWB (4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O DWC pyridocarbazole cyclopentadienyl os(co) complex +CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 DWD (4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWE [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F DWF n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5 DWG (6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N DWH methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate +C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5 DWJ (5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWK [2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 DWM (7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N DWN (2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4 DWP (6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWQ [2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5 DWS 3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid +Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DWT 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2 DWV (5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one +B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWW [2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWX [3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWY [4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C DWZ (2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O DX [(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O DX0 steviolmonoside +CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C DX1 6,7-bis(1-methylethyl)pteridine-2,4-diamine +c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N DX2 6-phenylpteridine-2,4,7-triamine +CC1=Nc2c(nc(nc2NC1(C)C)N)N DX3 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine +c1[nH]c2c(n1)C(=S)NC(=N2)N DX4 2-amino-1,9-dihydro-6h-purine-6-thione +C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O DX5 d-xylitol-5-phosphate +c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N DX6 2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX7 2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX8 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O DX9 (2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid +CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC DXA 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC DXB 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DXC (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXD (1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +COCCOC DXE 1,2-dimethoxyethane +CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O DXF (2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O DXG 4-deoxyglucarate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DXH 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(=CCC/C(=C/C=C/C(=O)C)/C)C DXJ (3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one +Cn1c2c(cn1)c(nc(n2)c3cccnc3)N DXK 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine +[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O DXL d-xylaric acid +Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DXM n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXN (1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C DXO 2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine +CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O DXP 1-deoxy-d-xylulose-5-phosphate +C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C DXQ 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N DXR 3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C DXS 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide +C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O DXT (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O DXU (3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O DXV 2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3 DXW 6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C(=O)O)C(=O)O DXX methylmalonic acid +CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXY n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXZ n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +[Dy+2] DY dysprosium ion +C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O DY1 [(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid +Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O DY2 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol +Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO DY3 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol +Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DY4 n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F DY5 (2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one +c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O DY6 2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid +Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br DY7 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2 DY8 morpholinohistidine +C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O DY9 fluostatin c +C(=C(/C(=O)O)\N)\C(=O)O DYA didehydroaspartate +B1(OCCO1)OCCCC[NH3+] DYB 4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium +c1cc(ccc1c2csc3n2ccn3)Br DYC 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole +C[C@@H](CC[C@H](C)O)O DYD (2s,5s)-hexane-2,5-diol +CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O DYF [(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O DYG (3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid +CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O DYH (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O DYJ 1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5 DYK n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine +C=CC[C@H](C(=O)O)N DYL (2r)-2-aminopent-4-enoic acid +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O DYM (2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO DYN 5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine +CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DYP 1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one +c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N DYR 2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN DYS s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine +c1c([nH]cn1)C[C@@H](C(=O)O)Cl DYT (2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C DYU ~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O DYV 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline +C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O DYW (2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl DYX 1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide +c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F DYY 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3 DYZ 7-ethyl-3-(phenylmethyl)purine-2,6-dione +C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O DZ [(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O DZ0 (2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C DZ1 n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide +c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl DZ2 2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br DZ3 n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N DZ4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +c1cc(ccc1/C=C(/C(=O)O)\S)F DZ5 (2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N DZ6 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide +COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2 DZ7 (2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4 DZ8 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N DZ9 3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide +CN(C)NC(=O)CCC(=O)O DZA daminozide +c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3 DZB n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5 DZC 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide +c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O DZD 5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C DZE methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N DZF 5-deazafolic acid +COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4 DZG 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5 DZH ~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide +c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O DZI 3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide +c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O DZJ 3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one +c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O DZK (2~{s})-2-(phenylmethylsulfanyl)butanedioic acid +CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5 DZL 2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide +Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DZM 3-deaza-3-methyladenine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O DZN daidzin +c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl DZO 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine +CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl DZP 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one +CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F DZR ~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide +c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl DZS 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid +CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZT (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol +Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6 DZU 8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl DZV 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one +CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZW (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol +C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O DZX deoxy-galacto-noeurostegine +Cc1c(nc(s1)C)CC(=O)O DZY (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid +COP(=S)(O)OC DZZ o,o-dimethyl hydrogen thiophosphate +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O E n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate +C[N+](C)(C)Cc1ccccc1 E00 benzyltrimethylammonium +C1CC2(CCC1N)C3CC4CC(C3)CC2C4 E01 (1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl E02 5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide +c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N E03 6-fluoro-d-tryptophan +CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C E04 3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran +CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E05 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol +[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O E06 [(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O E07 trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron +[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O E08 trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron +Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO E09 3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol +CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC E0A n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C E0B n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br E0C 5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide +CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O E0D (3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid +CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E0E (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol +CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4 E0F ~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C E0G 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl E0H 5-(3,4-dichlorophenyl)furan-2-carboxylic acid +Cc1cc(ccc1OCc2ccccn2)OC E0J 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine +Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4 E0K (2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O E0L 3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4 E0M 2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one +CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl E0N (2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)Cl E0O 2-(4-chloranylphenoxy)-2-methyl-propanoic acid +CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C E0P ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O E0Q 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O E0R 4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4 E0S 2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide +c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O E0T 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O E0U 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid +CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1 E0V 4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine +[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O E0Y (3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl E0Z 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E10 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC E11 n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E12 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C E13 n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide +CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E14 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E15 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E16 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C E17 n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide +CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 E18 2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate +C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O E1B 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid +CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O E1C 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E1D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C E1E 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N E1F 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2 E1G 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +[H]/N=C\C E1H ethanimine +COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3 E1J n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide +C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl E1K 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F E1L n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide +C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4 E1M (2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1 E1N 12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O E1O (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid +CCOC(=O)C(=O)N1CCCCC1 E1P ethyl oxo(piperidin-1-yl)acetate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O E1R (2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid +Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E1S n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine +c1cc2ccc(nc2nc1)C(=O)O E1T 1,8-naphthyridine-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O E1U (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3 E1W 6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one +CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O E1X phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester +C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C E1Z s-trichostatin a +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4 E20 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine +CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C E21 21-hydroxy-oligomycin +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3 E22 (2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide +CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F E23 n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F E24 n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide +CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C E26 (4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione +c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl E27 2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2 E28 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2 E29 (2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O E2B 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl E2C 5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4 E2F 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine +Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O E2G (2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide +CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E2I 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3 E2J 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one +c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N E2K 4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4 E2L 2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine +c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 E2M cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid +Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F E2N 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4 E2O 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine +CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O E2P prostaglandin b2 +c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] E2Q 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N E2R 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C E2T ~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN E2U 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine +CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC E2V (2r)-2-(hexadecanoyloxy)propyl nonadecanoate +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O E2W 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol +c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4 E2X 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine +c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3 E2Z 2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine +c1cc(ccc1c2[nH]nnn2)N E30 4-(1h-tetrazol-5-yl)aniline +CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N E31 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide +c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5 E32 7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC E33 (8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +CCOC(=O)c1ccc(c(c1)N)N E34 ethyl 3,4-diaminobenzoate +CCOC(=O)c1cc(cc(c1)O)O E35 ethyl 3,5-dihydroxybenzoate +c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl E36 2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N E37 n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine +c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl E38 5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F E39 (2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole +c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F E3A 1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione +CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C E3B 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone +CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N E3C 3-ethyl, cytidine-5'-monophosphate +Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C E3D dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium +c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5 E3E 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC E3F (8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E3G estrone beta-d-glucuronide +CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C E3H ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide +c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E3K azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N E3M (1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F E3N 1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O E3O (16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol +c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E3P n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C E3Q 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one +CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC E3S (1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C E3T ~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O E3U (6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one +CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C E3V {cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid +CN1CCC(=CC1)c2ccc(cc2)O E3X 4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol +COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl E3Y 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine +C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl E3Z ~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide +CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC E40 (2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide +CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 E41 n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide +c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N E42 (r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid +O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3 E43 12-polytungstate +COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl E44 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine +c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2 E46 n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C E48 6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C E49 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O E4A (4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CCOC(=O)c1ccc(cc1)O E4B ethyl 4-hydroxybenzoate +c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O E4D (2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol +CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O E4E 6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN E4F 5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O E4G (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C E4H (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O E4J 2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide +Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O E4K 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid +CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC E4L ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate +C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C E4M 1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +CC[N+](CC)(CC)CC E4N tetraethylammonium ion +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O E4O (2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide +C([C@H]([C@H](C=O)O)O)OP(=O)(O)O E4P erythose-4-phosphate +Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O E4Q 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O E4R (3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol +COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F E4S 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide +CC1CC(CC(C1)(O)O)(O)O E4T 5-methylcyclohexane-1,1,3,3-tetrol +B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O E4U [(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid +c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N E4V 4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine +Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl E4W azd5991 +C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br E4X 4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O E4Y (2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide +c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O E4Z baloxavir acid +CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl E50 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O E51 (2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide +CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O E52 methylated ruthenium pyridocarbazole +C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC E53 everolimus +CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC E55 3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose +c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N E56 3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile +CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C E57 n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E59 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O E5A (10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione +CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5C (3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C E5D (9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +c1cc(c(cc1[C@H](C[NH3+])O)O)O E5E noradrenaline +C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O E5G 5-hydroxypentyl alpha-d-glucopyranoside +c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3 E5H 2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide +CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl E5J 5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC E5K 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone +CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC E5L 2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide +C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E5M (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +C[C@H](CCC(=O)O)C(=O)O E5N (2~{r})-2-methylpentanedioic acid +CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br E5O 2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine +C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5 E5P (9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O E5Q 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol +C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5R (3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O E5S (3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O E5T 3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +COC(C(=O)O)C(=O)O E5U 2-methoxypropanedioic acid +COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O E5V (4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F E5W 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +c1cc(ccc1CO)C(=O)O E5X 4-(hydroxymethyl)benzoic acid +CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O E5Y (5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N E5Z ~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide +C1C(=O)NC(=S)S1 E60 2-sulfanylidene-1,3-thiazolidin-4-one +C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E61 (10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O E62 (3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O E63 6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one +CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O E64 n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine +Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C E65 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN E67 7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N E68 ~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide +[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O E69 n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide +c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br E6A (2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N E6B ~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide +CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O E6C n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane +CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O E6D ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 E6E 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +C1CC[C@@H]([C@H](C1)C(=O)O)N E6F (1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E6G 6-ethyl, guanosine-5'-monophosphate +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O E6J (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O E6K 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid +COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4 E6L 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide +C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E6M (10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-] E6N (4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one +C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl E6O 5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide +C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O E6P (10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6Q 3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C E6R 1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C E6S (3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6T 3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one +c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O E6U n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C E6V (3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4 E6W 2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C E6Y (5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4 E6Z 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide +COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O E70 n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide +c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5 E71 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN E72 7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O E74 (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O E75 trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol +CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O E77 (4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C E78 ~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C[C@H](CC(=O)O)N[C@@H](C(=O)O)O E79 (3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid +C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O E7A (10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide +C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C E7B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C E7C methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC E7D n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide +c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN E7E ~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide +c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O E7F 1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one +CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E7G 7-ethyl, guanosine-5'-monophosphate +c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N E7H 4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide +CC(C)C[C@H](C(=O)SCCNC(=O)C)N E7L s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5 E7M 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide +CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 E7N ~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide +C(CP(=O)(O)O)[C@@H](C(=O)O)N E7P (2s)-2-amino-4-phosphonobutanoic acid +CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O E7Q ~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide +CCCn1cnc2c1C(=O)N(C(=O)N2C)C E7R 1,3-dimethyl-7-propyl-purine-2,6-dione +Cc1cc2c(cc1C)nc([nH]2)CO E7S (5,6-dimethyl-1h-benzimidazol-2-yl)methanol +CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O E7T 5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one +C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1 E7U (1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol +CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl E7V 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN E7W (1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N E7X (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO E7Y (5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide +CN1C=C(C(=O)C=C1C(=O)O)O E7Z 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid +CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O E80 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN E82 3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide +CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3 E83 2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3 E84 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate +c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl E86 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC E87 (2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate +CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN E88 (2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid +COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 E89 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN E8B ~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide +CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F E8C (2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3 E8E (2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8F (2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8G (2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O E8H 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC E8J (1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4 E8K [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate +CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O E8L 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO E8M (3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide +CCC1(CCCCC1)C E8N 1-ethyl-1-methyl-cyclohexane +CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O E8O 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O E8P (2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC E8Q 2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid +Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO E8R (2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO E8S n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide +C(CC(=O)O)[C@H](CC(=O)C(=O)O)O E8U (4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid +c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) +CC(C)O[P@](=O)(C)OC E8W 2-[methoxy(methyl)phosphoryl]oxypropane +CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E8X (2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O E8Z ~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E90 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O E91 4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl E92 ~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N E94 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile +Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N E95 7-methyl-l-tryptophan +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O E96 4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene] +CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C E97 [3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F E98 ~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide +C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C E9A [(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate +C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N E9C (2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC E9D heteroaryldihydropyrimidine tetramethylrodamine +CCO[P@](=O)(C)OC E9E 1-[methoxy(methyl)phosphoryl]oxyethane +C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5 E9F 4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine +C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O E9G {hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid +CCCCCCCCCCCCCCCCOP(=O)(O)O E9H hexadecyl dihydrogen phosphate +C[C@@H](c1ccccc1)NC(=O)C(=O)O E9J oxo{[(1s)-1-phenylethyl]amino}acetic acid +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO E9K (1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C E9L (1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium +CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O E9M n-methyl-l-tryptophan +c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O E9N (2~{r})-2-(phenylmethylsulfanyl)butanedioic acid +CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E9O (2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +CCc1ccc(c(c1)O)Oc2ccccc2 E9P 5-ethyl-2-phenoxyphenol +C1CCN(C1)c2c(c([nH]n2)N)C#N E9Q 5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile +c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O E9R (2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid +c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O E9S (2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O E9T 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O E9U (2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid +CN[C@@H](Cc1cnc[nH]1)C(=O)O E9V n-methyl-l-histidine +C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E9W azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C E9X 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC E9Y 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl E9Z 5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine +CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C EA0 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide +c1cn2cnc3c(c2n1)nc[nH]3 EA1 3h-imidazo[2,1-i]purine +C(CO[P@@](=O)(O)OP(=O)(O)O)N EA2 aminoethanolpyrophosphate +c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO EA3 4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCOC(=O)CNC(=O)NCc1ccc(cc1)N EA4 ethyl n-[(4-aminobenzyl)carbamoyl]glycinate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O EA5 (4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C EA6 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C EA7 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EA9 (4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O EAA ethacrynic acid +c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O EAB (3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +CCOC(=O)CC(=O)C EAC ethyl 3-oxobutanoate +CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O EAD {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC EAE (1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one +CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EAF (4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O EAG 2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O EAH (5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid +COc1ccccc1c2cccc(c2)C(=O)O EAJ 3-(2-methoxyphenyl)benzoic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O EAL 1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline +CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C EAM 2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O EAN [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C EAO 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione +C(=COP(=O)(O)O)N EAP 2-amino-vinyl-phosphate +CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4 EAQ 6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide +CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl EAR ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAS 5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O EAT (2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N EAU 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide +Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAV n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide +c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br EAW n-(2-bromophenyl)pyrrolidine-1-sulfonamide +C([C@H]([C@H](C(=O)O)O)O)O EAX (2r,3r)-2,3,4-trihydroxybutanoic acid +[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O EAY (2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N EAZ (2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F EB0 1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O EB1 seocalcitol +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4 EB2 n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4 EB3 n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O EB4 n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) +CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC EB5 n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4 EB6 methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F EB7 2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC EB8 methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4 EB9 n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide +Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3 EBB 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one +C(CNC(=O)CI)NC(=O)CI EBC n,n'-ethane-1,2-diylbis(2-iodoacetamide) +Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N EBD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO EBE (2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide +COc1ccc2c(c1)OC(=O)C=C2 EBF 7-methoxychromen-2-one +C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EBG 2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside +C[C@@H](CBr)O EBH (2s)-1-bromopropan-2-ol +C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F EBI 1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide +c1c([nH]nn1)S EBJ 1h-1,2,3-triazole-5-thiol +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl EBK 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CC(C)NC(=O)c1ccccc1I EBM 2-iodo-n-(1-methylethyl)benzamide +[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl EBN (s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide +Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O EBO (2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid +CCOP(=O)(Cc1ccc(cc1)C)OCC EBP diethyl 4-methylbenzylphosphonate +C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O EBQ (3s)-3-hydroxybutyl alpha-d-glucopyranoside +CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O EBR [(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate +CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O EBS 3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium +CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O EBT n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine +[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O EBU pepide inhibtor +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N EBV (2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one +C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C EBW 4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium +CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C EBX 4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EBY n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide +c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-] EC0 7-chloranyl-5-nitro-quinolin-8-ol +c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O EC2 (2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl EC3 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EC4 6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5 EC5 (2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O EC6 n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC EC7 (s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide +c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O EC8 n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3 EC9 n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide +c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O ECA n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide) +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ECB 1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C(CC(=O)N)[C@@H](CO)N ECC (4s)-4-amino-5-hydroxypentanamide +C1[C@H](NC(=[NH2+])N1)CCC(=O)O ECD (4r)-4-(2-carboxyethyl)imidazolidin-2-iminium +C1CCC(=O)OCC1 ECE caprolactone +c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N ECF 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC ECG 3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C ECH beta,beta-caroten-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N ECI [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N ECJ (5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate +c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECL 1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl ECM 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid +c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECN 1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O ECO estradiol-6 carboxyl-methyl-oxime +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C ECP (2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O ECQ (3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one +c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F ECR 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O ECS 2,3,17beta-trihydroxy-1,3,5(10)-estratriene +Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC ECT ecteinascidin 743 +c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br ECU 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol +CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F ECV 2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +CCSC[C@@H](C(=O)O)N ECX s-ethyl-l-cysteine +Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C ECY 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid +COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F ECZ 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O ED1 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED2 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C ED3 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C ED4 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C ED5 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED7 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide +CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F ED8 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C ED9 (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O EDA 3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate +c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N EDB 2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide +c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O EDC n3,n4-etheno-2'-deoxycytidine-5'-monophosphate +CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N EDD 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide +[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N EDE edeine b +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C EDF (3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one +C1[C@@H]([C@H]([C@@H](N1)CO)O)O EDG 1,4-dideoxy-1,4-imino-l-arabinitol +CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N EDH n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI EDI 2'-deoxy-1-(2-iodoethyl)inosine +CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br EDJ 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid +CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4 EDK (2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid +CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C EDM 6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine +C(CN)N EDN ethane-1,2-diamine +C(CO)O EDO 1,2-ethanediol +CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC EDP 5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CC[N+](C)(C)c1cccc(c1)O EDR edrophonium ion +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O EDS (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide +C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O EDT {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O EDU 2'-deoxy-5-ethynyluridine +C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O EDV 1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 EDX (2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid +c1ccc(c(c1)CCO)NC(=O)Nc2cnns2 EDZ 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea +CCC[C@H](C(=O)O)N EE0 (2~{r})-2-azanylpentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N EE1 (3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O EE2 (2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N EE3 (2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid +CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC EE4 n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide +CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O EE5 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid +CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C EE6 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one +Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EE7 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCOc1ccc(cc1Cl)NC(=O)C EE8 ~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C EE9 (3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEA n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EEB uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid +c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEC n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide +C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC EED (9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol +CCOC(=O)C EEE ethyl acetate +c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEF n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEG n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC EEH n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide +CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl EEJ methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate +c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl EEK ~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide +C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O EEL (2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid +C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EEM [(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O EEN 2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O EEO (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid +C[C@@](C[C@@H](C(=O)O)N)(CO)O EEP (2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O EEQ 2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O EER (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O EES 3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol +CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O EET (5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O EEU estradiol-pyridinium tetraacetic acid +Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EEV 4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC EEW [(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid +C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O EEX (1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl EEY 2-chloro-5-nitro-n-(pyridin-4-yl)benzamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl EEZ ~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O EF0 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid +CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O EF1 (2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O EF2 s-thalidomide +[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C EF3 (e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C EF4 oligomycin c +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4 EF5 2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide +c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl EF6 n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N EF8 6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium +C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O EF9 (3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid +C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N EFA 5'-deoxy-2-ethynyl-5'-fluoroadenosine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFB oligomycin b +C(CSSC[C@@H](C(=O)O)N)F EFC s,s-(2-fluoroethyl)thiocysteine +Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F EFD avacopan +C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O EFE enantio-pyochelin fe(iii) +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N EFF 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide +c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F EFG 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one +O[Mo]=O EFK oxidanyl(oxidanylidene)molybdenum +CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C EFL 5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C EFM 5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C EFN 5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFO oligomycin a +CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC EFP n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide +COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O EFQ n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N EFR 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide +CCOP(=O)(O)O EFS ethyl dihydrogen phosphate +c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N EFT (2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4 EFU n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide +COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N EFV {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile +c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O EFW 6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide +COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O EFX 3-(3-methoxycarbonylphenyl)benzoic acid +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 EFY n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F EFZ (-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O EG0 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid +c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N EG1 aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N EG2 aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N EG3 phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6 EG5 (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O EG6 n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine +Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F EG7 (2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid +c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3 EG8 n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine +CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O EGA ethyl beta-d-galactopyranoside +CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C EGB (4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO EGC 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol +[H]/N=C(\N)/NCC EGD n-ethylguanidine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O EGE 4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid +Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4 EGF ~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O EGG (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br EGH (4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one +C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O EGJ (2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid +C(CO)O EGL ethylene glycol +CCc1ccc(cc1)C(=O)O EGM 4-ethylbenzoic acid +CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 EGN 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one +Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4 EGO 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid +CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6 EGP n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea +CCOC(=O)c1cc(c(c(c1)O)O)O EGR ethyl 3,4,5-trihydroxybenzoate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O EGT 2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol +CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl EGU 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid +[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O EGV (4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F EGW 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide +c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5 EGX 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C EGY (4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium +C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O EGZ (3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid +c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O EH0 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid +c1cc(ccc1C2CCCCC2)C(=O)O EH1 4-cyclohexylbenzoic acid +c1ccc(c(c1)/C=C/c2cccs2)C(=O)O EH2 2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid +CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl EH3 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid +COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O EH5 n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide +c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O EH6 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid +Cn1cnc(c1c2ccncc2)c3ccccc3 EH8 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine +CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N EH9 (2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol +CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5 EHA (5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid +CCN\1c2cc(ccc2S/C1=C\C(=O)C)O EHB (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one +c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl EHC 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O EHD 4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione +CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3 EHE 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one +CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O EHF (2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N EHG 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine +Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN EHH [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine +CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3 EHK 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one +Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-] EHL 5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide +C([C@H]([C@H](C(=O)NO)O)O)O EHM (2r,3r)-n,2,3,4-tetrahydroxybutanamide +CC EHN ethane +c1ccc(cc1)Nc2ccccc2C(=O)O EHO 2-phenylazanylbenzoic acid +c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP 3-hydroxyphenylalanine +Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3 EHQ 3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole +c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O EHR 2-[(2-phenylphenyl)amino]benzoic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O EHS 2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3 EHT 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole +CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O EHU 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid +Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br EHV (2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F EHW 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole +c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO EHX (9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole +c1ccc(cc1)CCNC(=S)Nc2cccnc2 EHY n-(2-phenylethyl)-n'-pyridin-3-ylthiourea +CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O EHZ ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate +CCc1c2cc(ccc2nn1c3ccc(cc3)O)O EI1 3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol +Cc1ccc(nc1)c2ccc(cn2)C EI3 5-methyl-2-(5-methylpyridin-2-yl)pyridine +C1CNCC2=C1C(=O)NO2 EI7 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4 EI8 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4 EI9 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O EIC linoleic acid +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-] EIE ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC EIJ (2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC EIM (1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O EIN (1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O EIO (3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine +C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO EIP 4-hydroxy-3-methyl butyl diphosphate +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O EIS n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3 EIT ((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +Cn1cncc1[N+](=O)[O-] EIV 1-methyl-5-nitro-1h-imidazole +[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EJ1 (2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid +[H+]([Fe](C#N)(C#N)C#[O+])[Ni] EJ2 ni-fe reduced active center +c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8 EJ4 (4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol +c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O EJ5 4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid +Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F EJ6 5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide +C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC EJ7 n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O EJ8 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C EJ9 (2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O EJA s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine +CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O EJB 7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCOc1ccc2c(c1)cc[nH]2 EJC 5-propoxy-1h-indole +c1cc(ccc1c2ccsc2)C(=O)O EJD 4-(thiophen-3-yl)benzoic acid +Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN EJE [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2 EJF n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O EJH [(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid +c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJK 4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O EJL (9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid +c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJN (2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol +CCN(CC)c1ccc2c(c1)OC(=O)C=C2 EJO 7-(diethylamino)chromen-2-one +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N EJP (3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile +c1cc(ccc1NC(=O)CN2CCCC2)F EJQ ~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F EJR n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5 EJS (4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide +c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-] EJT 1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene +CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC EJU 8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine +CCCCCCCc1ccc(cc1)C(=O)O EJV 4-heptylbenzoic acid +c1ccc(cc1)c2cc(on2)C[NH3+] EJW (3-phenyl-1,2-oxazol-5-yl)methylazanium +c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-] EJY 2-benzyl-5-nitro-1h-benzimidazole +C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-] EJZ 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl EK0 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O EK1 (2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid +c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4 EK2 {4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F EK3 n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine +c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F EK4 n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide +c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5 EK5 4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F EK6 ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate +CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O EK7 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O EK8 (2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4 EK9 n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +C1CCC(CC1)N(C(=O)C(=O)O)O EKA [cyclohexyl(hydroxy)amino](oxo)acetic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC EKB 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +C1CCC(CC1)NC(=O)C(=O)O EKD (cyclohexylamino)(oxo)acetic acid +C[C@H]([C@H](CCC(=O)O)N)O EKE (4s,5r)-4-amino-5-hydroxyhexanoic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 EKF n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O EKG (2r)-2,3-dihydroxypropyl hexadecanoate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl EKH 5-chlorotubercidin +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC EKJ 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br EKK 5-bromotubercidin +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC EKL 6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C EKM 1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium +C(CN[C@@H](CC(=O)O)C(=O)O)N EKN (2~{s})-2-(2-azanylethylamino)butanedioic acid +c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl EKO 4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C EKP 2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid +C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O EKQ (2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5 EKR n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C EKS 2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid +CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C EKT 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one +c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O EKU 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one +CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C EKV n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine +C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O EKX (1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +CC(C)(C)c1ccc(c(c1)O)O EKZ 4-tert-butylbenzene-1,2-diol +Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C EL ellipticine +CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C EL1 3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide +CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5 EL2 1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide +C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C EL3 (3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene +C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C EL5 biliverdin +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC EL6 [(2s)-2-octadecanoyloxypropyl] octadecanoate +CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EL7 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name) +C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F EL8 (6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide +CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6 EL9 cyclometalated-carbene platinum(ii) complex +CCCCCCCC\C=C\CCCCCCCC(=O)O ELA 9-octadecenoic acid +c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N ELB 4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +CCCCCCCCC=CCCCCCCCC(=O)N ELD (9e)-octadec-9-enamide +C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O ELE 2-keto 3 deoxy 6 phospho gluconate +C1C[C@H](C(=O)NC1)C[C@@H](C=O)N ELF (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O ELG (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O ELH 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O ELI 6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid +Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl ELJ chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii) +Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC ELK ~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](C=O)N ELL (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal +CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O ELM n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide +c1cc(ccc1NC(=O)CC#N)Cl ELN ~{n}-(4-chlorophenyl)-2-cyano-ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O ELP (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F ELQ [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone +C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELR phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O ELS n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +CCOP(=O)(N(C)C)O ELT ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid +C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELU phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O ELV 6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O ELW 5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C ELX (2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol +CCN(CC)CCCC[C@@H](C(=O)O)N ELY n~6~,n~6~-diethyl-l-lysine +CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O ELZ 10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C EM1 (3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O EM2 (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EM4 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO EM5 4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCC1=C(N=C2C(=CNN2C1=O)C#N)C EM6 6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N EM7 3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide +C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F EM8 (3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O EM9 n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide +c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N EMA (adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate +CCOC(=O)NC EMB methyl-carbamic acid ethyl ester +CC[Hg+] EMC ethyl mercury ion +C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC EMD 5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one +CN[C@@H](CCC(=O)O)C(=O)O EME n-methyl-l-glutamic acid +CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O EMF ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate +CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EMG n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide +CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C EMH 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile +CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O EMJ 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione +CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O EMK (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO EML 2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol +CN(C=C)C(=O)O EMM [methyl(vinyl)amino]methanol +C[C@H](COCCOC)COC[C@H](C)N EMN (2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine +Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O EMO 3-methyl-1,6,8-trihydroxyanthraquinone +CCN[C@H]1CO[C@H](C[C@@H]1OC)O EMP 2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose +CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4 EMQ 1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea +C1COCCN1CCN EMR n-aminoethylmorpholine +[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EMS (2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid +CC[Hg]Sc1ccccc1C(=O)O EMT 2-(ethylmercuri-thio)-benzoic acid +c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 EMU n-benzyl-9h-purin-6-amine +CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3 EMV (2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine +Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC EMW (3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide +COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O EMZ 6-o-methyl-beta-d-galactopyranose +Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O EN0 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1cc(ccc1/C=C(\C(=O)O)/O)O EN1 (2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid +CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F EN2 ~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2 EN3 (e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione +C1CCC(C1)N(C(=O)C(=O)O)O EN4 [cyclopentyl(hydroxy)amino](oxo)acetic acid +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN EN5 n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO EN6 n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide +C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC EN8 (2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine +c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl EN9 (2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N ENA etheno-nad +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C ENB ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CC[N+]#C ENC ethyl isocyanide +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O END 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O ENE (4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol +CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1 ENF n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O ENG (2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl ENH 1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S ENJ (4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid +c1ccc(cc1)c2nc(on2)CN ENK (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine +C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O ENL (1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F ENM (5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one +CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N ENN ~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide +c1cc(ccc1CC(=O)C(=O)O)O ENO 3-(4-hydroxy-phenyl)pyruvic acid +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O ENP etheno-nadp +c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O ENQ [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate +CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC ENR 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide +COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N ENS methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O ENT 3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC ENU 6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O ENV (2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O ENW 2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate +CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N ENX enacyloxin iia +COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O ENY (2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid +CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3 ENZ (4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one +CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC EO0 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C EO1 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine +CC(=C)C[C@@H](C(=O)O)N EO2 4,5-dehydro-l-leucine +CCCCCCCCCCCCCCCCCCCCCC(=O)O EO3 docosanoic acid +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C EO4 n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine +Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6 EO5 ~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EO6 (1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N EO7 2-chloro-5'-o-sulfamoyladenosine +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O EO8 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid +[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O EO9 [(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc(cc1)CCNC=O EOA n-phenethyl-formamide +c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOB {1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOC (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O EOD 11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid +C1C[C@H](NC1)CC(=O)O EOE beta3-proline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOF (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl EOG 1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CCO EOH ethanol +C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S EOI [[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl EOJ 1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C EOK (~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide +COc1cc(ccc1O)CC=C EOL 2-methoxy-4-(prop-2-en-1-yl)phenol +CCOC[O-] EOM ethyloxymethoxyl +COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N EON 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O EOO (1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid +C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOP {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl EOQ 4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide +CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N EOR 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C EOS 1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO EOT [(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid +COC(=O)/C=C/C(=O)OC EOU dimethyl (~{e})-but-2-enedioate +Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O EOW (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCO EOX ethyloxy group +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C EOY 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O EOZ 3,5-bis[(phosphonoacetyl)amino]benzoic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C EP epothilone a +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O EP0 n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +C1CN(CCN1CCCS(=O)(=O)O)CCO EP1 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O EP2 methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate +CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EP4 5'-deoxy-5'-(dimethylamino)adenosine +c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] EP5 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium +CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C EP6 5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC EP7 1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4 EP8 5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 EP9 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O EPA 5,8,11,14,17-eicosapentaenoic acid +Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C EPB 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O EPC (1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C EPD epothilone d +C1CN(CCN1CCO)CCS(=O)(=O)O EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid +C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EPG (2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside +CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN EPH l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine +CCC1CCNCC1 EPI 4-ethylpiperidine +c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl EPJ epibatidine +CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C EPK 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one +CCOP(=O)(OCC)Oc1ccc(cc1)OC EPL diethyl 4-methoxyphenyl phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O EPM n-palmitoyl-l-methionine +c1cc(ccc1[N+](=O)[O-])OCCCO EPN 3-(4-nitro-phenoxy)-propan-1-ol +[C@@H]1(C(O1)C(=O)O)C(=O)O EPO (2r,3r)-oxirane-2,3-dicarboxylic acid +CN(C)C(=O)CC[C@@H](C(=O)CF)N EPQ (4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide +C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O EPR {5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid +C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O EPS 5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +CCCCCCCc1ccc(cc1)O EPT heptanyl-p-phenol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O EPU uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C EPV 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O EPW cystargolide b- bound form +c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N EPY 1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EPZ (2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N EQ1 [2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid +CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 EQ2 1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C EQ3 (3'r)-3'-hydroxy-beta,beta-caroten-4-one +c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O EQ4 5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine +c1ccc2c(c1)ccn2CCC(=O)O EQ5 3-indol-1-ylpropanoic acid +CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl EQ7 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F EQ8 [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium +Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N EQ9 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one +c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F EQA (2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid +CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQB (2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid +COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O EQC arctigenin +c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl EQD 5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQE (2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid +C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C EQF (3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3 EQG benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate +c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N EQH cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O EQI equilin +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O EQJ (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine +c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O EQL 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid +CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O EQM methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C EQO 4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O EQP (1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N EQQ ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine) +c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O EQR 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EQS (1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(c(c1)Cl)c(n[nH]2)N EQT 4-chloranyl-1~{h}-indazol-3-amine +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O EQU equilenin +C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O EQV loganic acid +c1c(cnc(n1)NC2CCOCC2)Cl EQW 5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine +Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O EQX 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid +COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4 EQY methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate +COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl EQZ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O ER0 [(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate +S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34 ER2 fe4s4 +[Er+3] ER3 erbium (iii) ion +COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O ER4 (3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O ER5 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O ER6 (3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid +Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C ER7 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one +CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ER8 ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide +c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O ER9 3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid +CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O ERA (7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C ERB erythromycin b +COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O ERC 8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one +c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O ERD (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O ERE 4-epi-vancosamine +B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O ERF phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C ERG ergosterol +Cc1cc(cc(c1)O)C ERH 3,4-dimethylphenol +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C ERI 3-c-methyl-4-o-acetyl-alpha-l-olivopyranose +c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O ERJ 9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine +C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ERK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C ERM ergotamine +CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O ERN (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one +C=CC1=C(NC(=O)NC1=O)C(=O)O ERO 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERP 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine +Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC ERR 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERS (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol +CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O ERT methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate +CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N ERU (13z)-docos-13-enamide +CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ERW ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide +Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC ERX 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ERY erythromycin a +Cc1cnc(nc1)Nc2cnn(c2C)C ERZ ~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine +c1cc2c(c(c1)O)[nH]c(n2)N ES0 2-amino-1h-benzimidazol-7-ol +c1ccc2c(c1)c(ccn2)O ES1 quinolin-4-ol +c1cc2c(cc1Cl)NC(=O)C2 ES2 6-chloro-1,3-dihydro-2h-indol-2-one +c1c(nc[nH]1)Br ES3 4-bromo-1h-imidazole +c1[nH]c2c(n1)c(ncn2)Cl ES4 6-chloro-9h-purine +c1cc2cc(ccc2nc1)N ES5 quinolin-6-amine +C1=CNC(=O)C(=C1)C(=O)O ES6 2-oxo-1,2-dihydropyridine-3-carboxylic acid +Cn1c2ccccc2nc1N ES7 1-methyl-1h-benzimidazol-2-amine +c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O ES8 [(9h-fluoren-9-ylideneamino)oxy]acetic acid +c1cc2c(cc1Cl)nc[nH]2 ES9 5-chloro-1h-benzimidazole +CCS(=O)(=O)O ESA ethanesulfonic acid +CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N ESB 3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +CCSCC[C@@H](C(=O)O)N ESC 2-amino-4-ethyl sulfanyl butyric acid +C(CSCC(=O)O)N ESD (2-amino-ethylsulfanyl)-acetic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O ESE (1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O ESF (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide +CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N ESG l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N ESH 4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide +c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I ESI 4-iodobenzo[b]thiophene-2-carboxamidine +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O ESJ (4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O ESL estriol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC ESM 1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether +Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESN (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O ESO o3-phosphonoestrone +c1cc2cc(sc2nc1)C(=[NH2+])N ESP thieno[2,3-b]pyridine-2-carboxamidine +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5 ESQ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4 ESR 5-alpha-estran-3,17-dione +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ESS (1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O EST estradiol +CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESW 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide +c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX benzo[b]thiophene-2-carboxamidine +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O ESY benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O ESZ (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol +CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N ET ethidium +COc1ccc2c(c1)c(c[nH]2)CCC(=O)O ET0 3-(5-methoxy-1h-indol-3-yl)propanoic acid +COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid +c1cc2c(cc1F)[nH]c(n2)N ET2 6-fluoro-1h-benzimidazol-2-amine +CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O ET3 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide +c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN ET5 (3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ET6 (1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4 ET8 3-phenyl-5-(pyridin-4-yl)-1h-indazole +C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N ET9 [[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate +C(CO)N ETA ethanolamine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O ETB ethyl coenzyme a +CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O ETC (r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol +C#C ETD ethenylene group +COCCOCCOCCOCCO ETE 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol +C(C(F)(F)F)O ETF trifluoroethanol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4 ETG (3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C[CH2] ETH ethyl group +CCI ETI iodoethane +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O ETK 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +C[N+](C)(C)CCS ETM 2-(trimethylammonium)ethyl thiol +CCNC ETN methylethylamine +CCOC=O ETO ethoxycarbonyl group +B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O ETP 3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid +CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl ETQ 3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide +CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C ETR n-ethyl retinamide +CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C ETS (4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O ETT 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C ETU (3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone +C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F ETV 4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O ETW 5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid +CCOCCO ETX 2-ethoxyethanol +CCc1ccc(cc1)O ETY 4-ethylphenol +CCOCC ETZ diethyl ether +[Eu+2] EU europium ion +C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C EU1 (2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 EU2 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one +[Eu+3] EU3 europium (iii) ion +CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N EU4 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 EU5 (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide +C[C@@H](C12CC3CC(C1)CC(C3)C2)N EU7 (1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine +c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O EU9 [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium +c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N EUB 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile +CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C EUD eudesmane cation +CS(=O)(=O)c1ccc2c(c1)sc(n2)N EUE 6-methylsulfonyl-1,3-benzothiazol-2-amine +CCSSc1nc2ccccc2s1 EUF 2-(ethyldisulfanyl)-1,3-benzothiazole +C/C=C/c1ccc(c(c1)OC)O EUG 2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol +c1cc2c(cc1SC(F)(F)F)sc(n2)N EUH 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O EUI [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC EUJ (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl EUK 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine +c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br EUL 2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide +Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4 EUN 2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one +CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3 EUO 6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine +C([C@@H]([C@@H](C(=O)O)N)O)N EUP 4-amino-l-allothreonine +CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUQ 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl EUR 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O EUS n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide +c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F EUT (8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one +CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C EUU 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine +CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUW 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C EUX n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C EUY (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide +CCCC1=CC(=O)NC(=N1)N EV0 2-amino-6-propylpyrimidin-4(3h)-one +COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC EV1 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline +c1ccc2c(c1)nc(c(n2)N3CCCC3)N EV2 3-pyrrolidin-1-ylquinoxalin-2-amine +c1cc2c(cc1Cl)nc(n2CCCO)N EV3 3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol +CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl EV4 4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide +CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl EV5 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide +CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl EV6 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4 EV7 2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N EV8 methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC EV9 [(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate +[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O EVA (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O EVB sulfonato-calix[8]arene +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C EVC n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +c1ccc2c(c1)cc(o2)S(=O)(=O)N EVD 1-benzofuran-2-sulfonamide +c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N EVE 1h-benzimidazole-2-sulfonamide +c1ccc2c(c1)nc(s2)S(=O)(=O)N EVF 1,3-benzothiazole-2-sulfonamide +c1cc(oc1)S(=O)(=O)N EVG furan-2-sulfonamide +c1cnc([nH]1)S(=O)(=O)N EVH 1h-imidazole-2-sulfonamide +c1csc(n1)S(=O)(=O)N EVI 1,3-thiazole-2-sulfonamide +c1cc(sc1)S(=O)(=O)N EVJ thiophene-2-sulfonamide +CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl EVK 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C EVL n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O EVM l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene] +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O EVN (2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2 EVO (3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one +C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O EVP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside +C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl EVQ 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide +CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC EVR 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide +C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O EVS 16-epi-vellosimine +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O EVT (2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 EVU 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one +CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O EVV n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid +c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N EVW 2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide +CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O EVY (2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EVZ methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate +Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC EW0 7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide +Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6 EW1 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5 EW2 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F EW3 [(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C EW4 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 EW5 1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide +C[C@](CO)(C(=O)O)N EW6 alpha-methyl-l-serine +CCCCCCCCCCCCCCCCCCC(=O)O EW8 nonadecanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C EW9 (1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O EWA [(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid +[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O EWB [(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-) +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O EWC [(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3 EWD 2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O EWE [(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium +c1cc(cc(c1)C(=O)O)c2c[nH]nc2 EWG 3-(1h-pyrazol-4-yl)benzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl EWH ~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F EWJ 5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EWK 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide +CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWL 6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one +CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O EWM n-[(3s)-2-oxooxolan-3-yl]dodecanamide +CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F EWN 6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one +c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F EWO (4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CC1=CC(=O)N(c2c1cc(cc2OC)OC)C EWQ 6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O EWR (2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid +c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl EWS (2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium +c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl EWT 2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWU 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one +COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5 EWV epiberberine +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N EWW 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N EWX 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N EWY 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl EWZ 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N EX0 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C EX1 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C EX3 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine +C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F EX4 (5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one +CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC EX5 jerantinine b +c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O EX7 2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol +C1[C@@H]([C@@H]([C@H](N1)C=O)F)O EX8 (2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O EXA n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine +c1ccc2c(c1)ncn2CCC(=O)O EXB 3-(1h-benzimidazol-1-yl)propanoic acid +CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C EXC 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical +c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F EXD 2-(trifluoromethyl)-1h-benzimidazol-7-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXE (2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F EXF n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide +c1ccc(cc1)Cn2cnc3c2cccn3 EXG 1-benzyl-1h-imidazo[4,5-b]pyridine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXH (2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC EXI n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl EXJ (3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile +Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N EXL 1-methyl-l-tryptophan +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C EXM (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione +CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C EXN [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium +C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O EXO (1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol +CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br EXP 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N EXR (2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid +CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O EXS (2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O EXT {5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate +CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C EXU 1,3,7-trimethyl-9h-purine-2,6,8-trione +c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O EXV 3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid +CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C EXW 2-fluoro-3,7,18-dolabellatriene +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br EXX 4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole +C1[C@H](O1)CCCC[C@@H](C(=O)O)N EXY 6-[(2r)-oxiran-2-yl]-l-norleucine +Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O EY0 3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione +c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5 EY1 2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide +CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C EY2 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium +CC(C)Oc1ccc2c(c1)cc[nH]2 EY3 5-propan-2-yloxy-1h-indole +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C EY4 (3a,5a)-3-hydroxypregnane-11,20-dione +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C EY5 erythromycin d +c1cc2c(cc[nH]2)cc1OCCF EY6 5-(2-fluoranylethoxy)-1h-indole +COc1c(nc2ccccc2n1)CCC(=O)O EY7 3-(3-methoxyquinoxalin-2-yl)propanoic acid +c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2 EY8 [(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide +COCCOc1ccc2c(c1)cc[nH]2 EY9 5-(2-methoxyethoxy)-1h-indole +CN1C(=Nc2ccccc2C1=O)CCC(=O)O EYA 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid +CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C EYB [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl EYC 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid} +CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C EYE [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO EYF 1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide +CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N EYG {(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid +Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl EYH (4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +c1ccc2c(c1)nc(s2)CCC(=O)O EYJ 3-(1,3-benzothiazol-2-yl)propanoic acid +CC(C)(C)c1cc(ccc1O)O EYK 2-tert-butylbenzene-1,4-diol +c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO EYL ~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide +CN1c2ccccc2N=C(C1=O)CCC(=O)O EYM 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC EYN 2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +C1COCCOCCOCCOCCO1 EYO 1,4,7,10,13-pentaoxacyclopentadecane +c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O EYP 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5 EYQ ~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide +CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C EYR (6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene +C([C@@H](C=O)[NH3+])S[SeH] EYS s-selanylcysteinal +c1ccc2c(c1)nc(s2)CC(=O)O EYV (1,3-benzothiazol-2-yl)acetic acid +C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 EYW 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide +c1ccc2c(c1)ccc(n2)CCC(=O)O EYY 3-(quinolin-2-yl)propanoic acid +c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O EYZ (2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid +C=CC[Se]c1ccc(cc1)S(=O)(=O)N EZ1 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide +C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3 EZ2 ~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide +C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O EZ3 (3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O EZ4 (2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC EZ5 ~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide +CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F EZ6 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid +CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C EZ7 n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide +c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO EZ8 [1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium +CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F EZ9 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C EZA n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide +Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4 EZB 5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one +CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 EZC 2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O EZE trans-oxyresveratrol +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN EZF methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-] EZG n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide +c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O EZH cis-oxyresveratrol +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4 EZK [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium +CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-] EZM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide +c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN EZN [3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine +CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O EZO 2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O EZP n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide +CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N EZR 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C EZS 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O EZT (17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol +C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 EZU 1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 EZW 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate +c1ccc(c(c1)CNCC(=O)O)N(=O)=O EZY n-[(2-nitrophenyl)methyl]glycine +CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O EZZ (3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +[F-] F fluoride ion +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O F00 (2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F F01 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one +CCN(CC)c1ccc(cc1)C(=O)NN F02 4-(diethylamino)benzohydrazide +CC(=O)NC1=Nc2ccccc2C(=O)N1 F03 n-(4-oxo-3h-quinazolin-2-yl)acetamide +CCN1C(=O)c2ccccc2C(=N1)C F04 2-ethyl-4-methyl-phthalazin-1-one +c1ccc2c(c1)CN=C2N F05 1h-isoindol-3-amine +[H]/N=C(\N)/SCc1ccccc1Cl F06 2-chlorobenzyl carbamimidothioate +c1cncc2c1ncc3c2scc3 F07 thieno[3,2-c][1,6]naphthyridine +COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 F08 methyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCCCCCCCO F09 nonan-1-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC F0A 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0B (3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +COc1ccc(cc1)CC2=NCCC3=C2CCCC3 F0C 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr F0D 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8 F0E cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate +CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2 F0F (1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O F0G (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl F0H [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +COc1ccc(c(c1)OC)O F0J 2,4-dimethoxyphenol +Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0K (3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0L nickel-sirohydrochlorin +COc1cc(ccc1O)N(=O)=O F0M 2-methoxy-4-nitrophenol +c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4 F0N (3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1c(sc(n1)Cl)C(=O)O F0O 2-chloranyl-1,3-thiazole-5-carboxylic acid +c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O F0P (2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br F0Q 1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea +Cc1ccccc1NC(=S)NCc2ccco2 F0R 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5 F0S (4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2 F0T ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate +Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl F0U 5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide +Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C F0V 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C F0W ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0X cobalt-sirohydrochlorin +Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC F0Y methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate +c1ccc(c(c1)C2=NCCCN2)S F0Z 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol +c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F F10 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6 F11 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine +CC(=O)Nc1c(ccs1)C(=O)O F12 2-(acetylamino)thiophene-3-carboxylic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3 F13 3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC F14 2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCCCCCCCCCCCCCC(=O)O F15 pentadecanoic acid +c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O F16 5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O F17 n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide +c1cc(ccc1/N=N\c2c([nH]nc2N)N)O F18 4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O F19 2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N)C F1A 2,4,6-trimethylbenzenesulfonamide +CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2 F1B (3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C F1C 3,5-bis(3-acetamidophenyl)benzoic acid +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC F1D methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C F1E ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate +Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F F1G 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide +c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS F1H n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide +COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC F1I n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F F1J (2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F F1K (2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide +COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br F1L n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N F1M n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide +Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N F1N n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide +C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1P 1-o-phosphono-beta-d-fructopyranose +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2 F1Q ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate +COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N F1R n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4 F1S n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide +Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F F1T 3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine +CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O F1U (1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol +CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC F1V n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C F1W 4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1X 1-o-phosphono-beta-d-fructofuranose +CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO F1Y n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide +CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N F1Z ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4 F20 n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide +c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF F21 (3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O F22 (4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid +CCCCCCCCCCCCCCCCCCCCCCC(=O)O F23 tricosanoic acid +C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C F24 (7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid +c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F F25 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine +Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C F26 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene +c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O F27 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N F29 1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N F2A 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine +c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N F2B n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide +c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O F2C 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C F2D 3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one +C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO F2E 1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea +c1cc(c(cc1C[C@@H](C(=O)O)N)F)F F2F 3,4-difluoro-l-phenylalanine +CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1 F2G 3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-] F2H 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C F2I n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4 F2J n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide +c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl F2K (5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile +CC(=O)Nc1c(cccc1F)F F2L ~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide +C/C=C/N(C)Cc1ccco1 F2M (~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7 F2N [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +O([Fe])[Fe] F2O mu-oxo-diiron(iii) +C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O F2P 1,6-di-o-phosphono-d-allitol +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O F2R adp-ribosyl-l-arginine +CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C F2S 11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F F2T 2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine +C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F F2U 2'-deoxy-5-ethynyl-2',2'-difluorouridine +C[NH+]1CCc2cc(c(cc2C1)OC)OC F2W 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium +C[C@@H]1CC(=O)c2c(cccc2O)C1=O F2X (2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N F2Y 3,5-difluoro-l-tyrosine +COc1cc2c(cc1OC)CNC(=O)C2 F2Z 6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one +CC(=O)c1ccc(c(c1)OC)N F31 1-(4-azanyl-3-methoxy-phenyl)ethanone +c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5 F32 (5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O F33 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one +CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O F34 n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O F35 3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione +CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F36 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one +C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 F37 (5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N F38 [4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide +CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O F39 [(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N F3A 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F F3B 1,3,5-trichloro-2,4,6-trifluorobenzene +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O F3C 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4 F3D 4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide +c1ccc(cc1)c2ccnc(n2)N F3E 4-phenylpyrimidin-2-amine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F F3F s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O F3H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O F3I (mi2-acetato-o, o')-hexaaquo-dirhodium (ii) +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7 F3J 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br F3K ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine) +COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O F3M methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3N 3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3O 3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate) +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O F3P (1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6 F3Q ~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide +S1[Fe]2S[Fe]3[S]2[Fe]1S3 F3S fe3-s4 cluster +C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O F3T 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid +CC(=O)CN F3V 1-aminopropan-2-one +c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N F3W (~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7 F3Z (3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide +c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F40 2-phenyl-3h-quinazolin-4-one +c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2 F41 n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O F42 coenzyme f420 +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O F43 factor 430 +c1ccnc(c1)CCCc2ccccn2 F44 2,2'-(propane-1,3-diyl)dipyridine +c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O F45 [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6 F46 n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide +c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O F47 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol +c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F48 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile +COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O F49 [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2 F4A 4-[(9h-purin-6-yl)amino]benzamide +c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F4B (~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile +c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F F4C 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N F4D 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide +COC(=O)c1cc2c([nH]1)cco2 F4E methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate +CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O F4F (5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid +c1cc(cnc1)c2cnc3n2cccc3C(=O)N F4G 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O F4H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol +c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O F4J 5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one +c1ccn(c1)c2ccc(cc2)CO F4K (4-pyrrol-1-ylphenyl)methanol +CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O F4M 1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] F4N ~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide +Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O F4O 6-methoxy-streptovaricin c +c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F F4P 1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N F4Q [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CCCCCCCCCCCCNC=S F4R n-dodecylmethanethioamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3 F4S fe4-s3 cluster +COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC F4T methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate +c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O F4U 2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione +C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 F4W 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C F4X 8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid +c1c(c(nc(c1Cl)Cl)O)Cl F4Z 3,5,6-trichloro-2-pyridinol +CC(=O)OO F50 ethaneperoxoic acid +Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O F51 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid +c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O F52 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO F53 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate +Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C F54 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl F55 n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O F56 3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O F57 (2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate +C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F58 n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O F59 n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid +c1c(c(c(c(c1F)F)F)F)F F5B 1,2,3,4,5-pentafluorobenzene +C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F F5C penta-fluorocinnamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N F5D 5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C F5E ~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide +C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C F5F 3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O F5G (2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O F5H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol +CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O F5I cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii) +c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O F5J 7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F5L (1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O F5M 5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2 F5N 2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide +CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC F5O 4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N F5P (2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5 F5Q 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide +[H]/N=C(\c1ccc(cc1)Br)/N F5R 4-bromanylbenzenecarboximidamide +C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O F5S (1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one +CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O F5T cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii) +COc1ccc2c(c1)c(c[nH]2)CCN F5U 2-(5-methoxy-1h-indol-3-yl)ethanamine +Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C F5V n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide +COc1ccc2c(c1)[nH]cc2CCN F5X 2-(6-methoxy-1h-indol-3-yl)ethanamine +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC F5Y 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2 F5Z 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide +c1cc(cc2c1cc[nH]2)O F60 1h-indol-6-ol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O F61 n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C F62 n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide +CNCc1ccc(o1)Oc2cccnc2 F63 n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine +C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C F64 (2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC F65 methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate +Cc1c(c2ccccc2[nH]1)CCN F66 2-(2-methyl-1h-indol-3-yl)ethanamine +C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3 F67 (3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one +Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F68 n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(c(c1)CO)c2cccs2 F69 (2-thiophen-2-ylphenyl)methanol +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F6A n-biphenyl-3-yl-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F F6B n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C F6C chlorophyll f +Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N F6D (3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile +CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4 F6E (6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one +c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F F6F 2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O F6G 6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O F6H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol +CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4 F6J 2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O F6K homosalinosporamide a - bound form +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C F6L 4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid +CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C F6M n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide +c1c(nc(o1)CN)C(=O)O F6N 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid +CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C F6O n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O F6P 6-o-phosphono-beta-d-fructofuranose +c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F6Q n,n-pyridylbenzimidazole derivative-pd complex +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O F6R fructose -6-phosphate +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F F6T (3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O F6U [(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N F6W 4-(2-phenylethylsulfanyl)benzenesulfonamide +C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O F6X [(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F6Y 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid +c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F6Z 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N F70 cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 F71 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O F72 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O F73 [(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O F74 8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate) +c1c(nc(s1)CN)C(=O)O F75 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N F76 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate +CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F77 3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O F78 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F79 2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid +c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F7A n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide +c1cc2c(cc1Cl)C(=O)CCS2 F7B 6-chloranyl-2,3-dihydrothiochromen-4-one +[C@H](C(=O)C(=O)O)(C(=O)O)O F7C (2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C F7D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O F7E [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate +Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O F7F 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O F7H 4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one +c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4 F7I ~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N F7J 3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N F7K 2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one +c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F F7L (2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol +Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5 F7M 4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide +CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3 F7N [(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium +c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N F7O [(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O F7P 1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO F7Q (2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid +C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O F7R [(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@@H](C[C@@H](C(=O)O)NC)CO F7S (4s)-5-hydroxy-n-methyl-l-leucine +c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F7T alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex +c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N F7U 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide +C/C=C/C[C@@H](C(=O)O)N F7V (2s,4e)-2-aminohex-4-enoic acid +c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N F7W 7-fluorotryptophan +c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N F7X [(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC F80 n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine +COc1cccc(c1O)Br F81 2-bromo-6-methoxyphenol +CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC F82 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl F83 (3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F85 n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N F86 [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C F87 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F88 ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O F89 s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F F8A 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F8B ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F8C (1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO F8D 1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2 F8E methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate +[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N F8F (2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid +C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O F8G s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3 F8H ~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3 F8I ~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C F8J 2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C F8L [(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate +CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O F8M 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4 F8N ~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide +c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O F8P 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C F8R 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone +c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O F8S 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O F8U (2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid +CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F F8V (3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide +c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid +[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N F8X 2-amino-2-deoxy-beta-d-altropyranuronic acid +CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C F8Y (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO F8Z 1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea +[H]/N=C(\N)/SCc1ccc(cc1)Cl F90 4-chlorobenzyl carbamimidothioate +c1cc2c(cc1NCc3ccncc3)OCCO2 F91 n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine +c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F F92 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol +c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O F93 (2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid +c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O F94 7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one +c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O F95 (7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid +CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5 F97 n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine +CC(=O)N(CCCP(=O)(O)O)O F98 3-[ethanoyl(hydroxy)amino]propylphosphonic acid +CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F F9A n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide +c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O F9B 2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol +C#CC[C@H](C(=O)O)N F9D (2r)-2-aminopent-4-ynoic acid +CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N F9E [(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate +c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O F9F 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate +COc1ccc(cc1O)Br F9G 5-bromo-2-methoxyphenol +Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4 F9J 5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine +CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F F9K (1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline +CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 F9N 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide +C1CCC(CC1)C(=O)NO F9P n-hydroxycyclohexanecarboxamide +Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O F9R digitoxin +c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O F9S 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O F9T 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C F9U (3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O F9V (2s)-2-phenylbutanedioic acid +c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO F9W (1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O F9X (2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid +c1cc(cc2c1cc[nH]2)C#N F9Y 1h-indole-6-carbonitrile +CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O F9Z 2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FA folic acid +c1cc(c(cc1F)N)C(=O)O FA0 2-amino-4-fluorobenzoic acid +C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O FA1 2,3 -anhydro-quinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N FA2 5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O FA3 2-anhydro-3-fluoro-quinic acid +[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO FA4 sm-25453 +c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FA5 adenosine-5'-[phenylalaninyl-phosphate] +C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O FA6 3-hydroxyimino quinic acid +CC(C)C\C=C\C=C/C(=O)O FA7 (2z,4e)-7-methylocta-2,4-dienoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FA8 [[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8 FA9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O FAA n5-(4-hydroxybenzyl)flavin-adenine dinucleotide +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C FAB flavin-adenine dinucleotide-n5-isobutyl ketone +C(C(F)(F)F)(C(F)(F)F)(O)O FAC 1,1,1,3,3,3-hexafluoropropanediol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAD flavin-adenine dinucleotide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O FAE flavin-n7 protonated-adenine dinucleotide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C FAF 2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O FAG [1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group +C(C(=O)O)F FAH fluoroacetic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N FAI 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O FAJ fad-trans-2-phenylcyclopropylamine adduct +C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N FAK n~6~-(trifluoroacetyl)-l-lysine +CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FAL (2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O FAM alpha-fluoro-amidocarboxymethyldethia coenzyme a complex +c1ccc(cc1)NC=O FAN formanilide +Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAO [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FAP (2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O FAQ phenylacetyl coenzyme a +C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C FAR farnesyl +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAS arabino-flavin-adenine dinucleotide +CCCCCCCCCCCCCCCC(=O)O FAT 1-hexyldecanoic acid +CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3 FAV n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC FAW (2s)-3-hydroxypropane-1,2-diyl ditetradecanoate +c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N FAX [(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAY [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate +CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl FAZ 8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O FB 5a-formylbicyclomycin +C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C FB0 (2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1ccc(c(c1)S(=O)(=O)N)Cl FB1 2-chlorobenzenesulfonamide +c1ccc(cc1)S(=O)(=O)N FB2 benzenesulfonamide +c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl FB4 2-(2-amino-4-chlorophenoxy)-5-chlorophenol +B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O FB5 2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine +B(CCCCC(C)(C(=O)O)N)(O)O FB6 6-(dihydroxyboranyl)-2-methyl-l-norleucine +c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N FB7 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine +COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6 FB9 (3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +c1cc(ccc1C[NH3+])F FBA 4-fluorobenzylamine +c1cc2c(cc1F)sc(n2)N FBB 6-fluoro-1,3-benzothiazol-2-amine +c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O FBC 3',5'-difluorobiphenyl-4-carboxylic acid +c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FBD n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid +C(/C=C/CN)C(=O)O FBE (3e)-5-aminopent-3-enoic acid +[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N FBF 4-(trifluoromethyl)benzenecarboximidamide +c1c(cc(c2c1COCO2)C(=O)O)F FBG 6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid +CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O FBI 7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid +C1CC=C(C1)C(=O)NO FBJ n-hydroxycyclopent-1-ene-1-carboxamide +c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O FBK 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FBL (2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +C1CCC(=CC1)C(=O)NO FBM n-hydroxycyclohex-1-ene-1-carboxamide +c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-] FBN 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N FBO l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O FBP 1,6-di-o-phosphono-beta-d-fructofuranose +Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O FBQ 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol +CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br FBR (9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one +c1cc(ccc1F)S(=O)(=O)N FBS 4-fluorobenzenesulfonamide +c1cc(c(c(c1)F)S(=O)(=O)N)F FBT 2,6-difluorobenzenesulfonamide +c1c(cc(cc1F)S(=O)(=O)N)F FBU 3,5-difluorobenzenesulfonamide +c1ccc(c(c1)F)S(=O)(=O)N FBV 2-fluorobenzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)F FBW 3-fluorobenzenesulfonamide +CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F FBX ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate +CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F FBY (7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one +C[C@@H](CC(=O)O)c1ccccc1 FBZ (3s)-3-phenylbutanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O FC0 n-carboxy-l-phenylalanine +CN(C)CCCOC1=CC(=O)Sc2c1cccc2 FC1 thiocoumarin +c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl FC2 5-(2,5-dichlorophenyl)-2-furoic acid +c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F FC3 5-[2-(trifluoromethyl)phenyl]-2-furoic acid +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl FC4 (2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)C=CC(=S)O2 FC5 6-hydroxy-2h-chromene-2-thione +C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N FC6 hexacyanoferrate(3-) +C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC FC7 fusicoccin a-thf +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N FC8 ~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine +c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N FC9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O FCA alpha-d-fucopyranose +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O FCB beta-d-fucopyranose +c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5 FCC 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one +c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl FCD 5-(2-chlorophenyl)furan-2-carboxylic acid +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C FCE ferrichrome +c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2 FCF 3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O FCG (n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide +c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N FCH (2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C FCI ferricrocin-iron +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N FCJ 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine +c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2 FCK 3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid +c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL 3-chloro-l-phenylalanine +CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F FCM (9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@H]1[C@H](O1)P(=O)(O)O FCN fosfomycin +C(#N)[Fe](=C=O)C#N FCO carbonmonoxide-(dicyano) iron +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FCP (2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1 FCQ 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1cc(ccc1C(F)(F)F)O FCR alpha,alpha,alpha-trifluoro-p-cresol +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C FCS (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O FCT deoxy-2-fluoro-b-d-cellotrioside +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3 FCV 3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide +c1cc2c(cc1C3CCCCC3)CC(=O)N2 FCW 5-cyclohexyl-1,3-dihydroindol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O FCX alpha-fluoro-carboxymethyldethia coenzyme a complex +C([C@@H](C(=O)O)N)S FCY free cysteine +Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N FCZ 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N FD1 n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N FD2 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N FD3 n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide +CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3 FD4 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine +Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O FD5 [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl FD6 n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine +[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC FD7 n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea +c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F FD8 n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide +Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N FD9 (2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FDA dihydroflavine-adenine dinucleotide +Cc1c[nH]c2c1C(=O)NC(=N2)N FDB 2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O] FDC iron(iii) dicitrate +Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C FDD fe(iii) 2,4-dimethyl deuteroporphyrin ix +Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C FDE fe(iii) deuteroporphyrin ix +C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF FDF (2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O FDG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl FDH 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O FDI 4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FDJ 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO FDK (1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol +CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N FDL n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F FDM 3'-fluoro-3'-deoxythymidine monophosphate +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F FDN (5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O FDP 2,6-di-o-phosphono-beta-d-fructofuranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O FDQ 2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol +CC1=Nc2c(c3c(s2)CCC3)C(=O)N1 FDR 2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one +c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O FDS fluorescin +Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O FDT (7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F FDU 1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O FDV 5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N FDW 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O FDY 5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2 FDZ 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea +[Fe+3] FE fe (iii) ion +C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O FE0 (1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC FE1 methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate +[Fe+2] FE2 fe (ii) ion +c1cc(c(cc1C(=O)O)Cl)CCN FE3 4-(2-aminoethyl)-3-chlorobenzoic acid +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N FE5 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl FE6 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2 FE7 n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide +[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N FE8 (10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S FE9 iron-guanylyl pyridinol cofactor +[N-]=[N+]=N[Fe]O[Fe] FEA monoazido-mu-oxo-diiron +CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O FEB n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O FEC 1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O FED [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name) +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O FEE n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide +c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2 FEF (2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime} +Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O FEG 5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine +c1ccc(cc1)[C@H](CO)O FEH (1r)-1-phenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O FEJ (2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name) +C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO FEK (1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +[OH2][Fe+3]([OH2])[OH2] FEL hydrated fe +C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12 FEM n-(2-ferrocenylethyl)maleimide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C FEN n-(4-hydroxyphenyl)all-trans retinamide +O([Fe])[Fe] FEO mu-oxo-diiron +c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FEP [(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO FEQ (1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol +COc1cc(ccc1O)\C=C\C(=O)O FER 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid +S1[Fe]S[Fe]1 FES fe2/s2 (inorganic) cluster +COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F FEU 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine +CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O FEV (2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid +CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C FEW 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide +CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4 FEX methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FEY (1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O FEZ (1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate +c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O FF0 (2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol +Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C FF1 (4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1cc2c(cc(s2)C(=O)NO)c(c1)Cl FF2 4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide +c1(nnc(s1)N)C(F)(F)S(=O)(=O)N FF3 1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O FF4 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N FF5 ~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FF7 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O FF8 (2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid +CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O FF9 (2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C FFA (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one +c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N FFB n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O FFC 2-deoxy-2-fluoro-b-d-cellobioside +c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O FFD (1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol +O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O FFE [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron +CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C FFF trifluorofurnesyl diphosphate +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O FFG (r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN FFH 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O FFJ 2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C FFK [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate +C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N FFM s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine +CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1 FFN 5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one +c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N FFO n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1cc(c(c(c1)F)O)F FFP 2,6-difluorophenol +CC[C@H](O)P(=O)(O)O FFQ [(1r)-1-hydroxypropyl]phosphonic acid +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O FFR 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid +c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4 FFS n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine +CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C FFT (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C FFU n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide +C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F FFV n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O FFW 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one +C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O FFX (2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol +C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5 FFY n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC FFZ 3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide +c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2 FG0 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] +c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O FG1 n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC FG2 5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC FG3 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3 FG4 {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3 FG5 (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3 FG6 {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +CCOC(=O)c1cccc(c1)N FG7 ethyl 3-aminobenzoate +c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl FG8 (~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide +c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N FG9 ~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine +C(CC(=O)O)[C@H](C(=O)O)N FGA gamma-d-glutamic acid +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N FGD n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3 FGE ~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC FGF n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C FGG (2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate +CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C FGH 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC FGJ (2r)-3-hydroxypropane-1,2-diyl dihexanoate +C(C(=O)O)(C(=O)O)N FGL 2-aminopropanedioic acid +CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O FGM (2r,3r)-2-hexyl-3-hydroxytridecanoic acid +c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl FGN (~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide +c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N FGO [(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate +[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N FGP 2-amino-3-hydroxy-3-phosphonooxy-propionic acid +Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F FGQ 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O FGR n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine +CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O FGS 5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol +c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O FGT 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one +CC(C)C[C@@H](C(=O)SCCNC(=O)C)N FGU s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate +C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O FGV (1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)] +CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C FGW dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium +[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O FGX [(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO FGY n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide +c1c(cc(c(c1Cl)O)Cl)C(=O)O FGZ 3,5-dichloro-4-hydroxybenzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5 FH0 ~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH1 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO FH2 (1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C FH3 (s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide +CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH4 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C FH5 (s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide +C(C[C@H](C(=O)O)N)CN(C=O)O FH7 n^5^-formyl-n^5^-hydroxy-d-ornithine +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O FH8 5-carboxy methylrhodamine +CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O FH9 (2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N FHA 2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(=O)O)F)O FHB 3-fluoro-4-hydroxybenzoic acid +c1cc(ccc1\C=C(/C(=O)[O-])\F)O FHC 2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate +CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C FHD 3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide +CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N FHE 2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F FHF n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N FHG 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O FHH methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O FHI 2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid +Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4 FHJ dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O FHK 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid +C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N FHL (e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine +C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O FHM s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O FHN (2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium +C(C[C@@H](C(=O)O)N)CN(C=O)O FHO n^5^-formyl-n^5^-hydroxy-l-ornithine +CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C FHP 1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid +c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br FHQ ~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FHR ~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FHS (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br FHT [[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O FHU (5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate +Cc1cccc(c1)NC(=O)N2CCCC2 FHV n-(3-methylphenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHW (2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N FHX 3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O FHY (2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid +COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHZ (2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O FI0 (2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5 FI1 6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl FI3 n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide +C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O FI4 (2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol +CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C FI8 fidaxomicin +c1(c(c(c(c(c1F)F)I)F)F)F FIB 1,2,3,4,5-pentafluoro-6-iodobenzene +c1cc2c(cc1F)cc([nH]2)C(=O)O FIC 5-fluoroindole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FID (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F FIF 2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid +c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O FIG 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F FIH 5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C FII [(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid +C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl FIJ 4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIK (1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC FIL (1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O FIN (1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N FIO n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine +c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O FIP 5-fluoroindole propanol phosphate +CN1C(=O)C=C(NC1=O)C2CC2 FIQ 6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione +c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3 FIR (2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FIS (2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C FIT (4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide +c1ccc2cc(ccc2c1)C(=O)O FIV naphthalene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIW (1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O FIX d-fructuronic acid +Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6 FJ0 2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide +CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C FJ1 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC FJ2 n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide +CC(C)c1cc(c(cc1O)O)c2cc(on2)N FJ3 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol +COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl FJ4 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5 FJ5 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC FJ6 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O FJ7 (1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 FJ8 ~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5 FJ9 n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide +CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC FJA fusicoccin j aglycone +c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+] FJB [[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FJC ~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl FJD 3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F FJE [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O FJF 5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione +C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5 FJG trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5 FJH ~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 FJI 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O FJJ (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O FJK 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea +C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O FJL (2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O FJM (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8 FJN [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium +C(CO)C(O)(O)O FJO propane-1,1,1,3-tetrol +CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C FJP (2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl FJQ tioconazole +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C FJR 2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6 FJS n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2 FJT ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC FJU 2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide +C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1 FJV 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine +c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O FJX 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol +Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C FJY 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline +c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3 FJZ n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide +c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O FK0 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol +c1cc(cc2c1cc[nH]2)Br FK1 6-bromo-1h-indole +C(C=O)C(=O)O FK2 3-oxidanylidenepropanoic acid +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O FK3 (3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O FK4 s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC FK5 8-deethyl-8-[but-3-enyl]-ascomycin +c1ccc(cc1)COC(=O)N FK8 (phenylmethyl) carbamate +CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O FK9 3-(propylsulfanyl)propyl alpha-d-mannopyranoside +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC FKA benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester +C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N FKB (2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C FKC (4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O FKD 3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N FKE 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C FKF (4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1 FKG 3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N FKH n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +C([C@@H](C(=O)C(=O)O)N)C(F)F FKI 5,5-di-fluoro-2-keto-3-aminopentanoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3 FKJ 3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F FKK 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5 FKL n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide +C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O FKM n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide +CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl FKN 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine +c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl FKO 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole +CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C FKP methylpiperazinoforskolin +c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O FKQ 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide +CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F FKR 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C(CCC(C(F)(F)F)(O)O)CCNCCCN FKS 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol +CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F FKU 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3 FKV 3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-] FKW 2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide +Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N FKY 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide +CCCCCCCCN FKZ octan-1-amine +c1ccc(cc1)C(=O)CBr FL0 2-bromanyl-1-phenyl-ethanone +c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N FL1 5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC FL2 flurbiprofen methyl ester +CC(=O)c1ccc2ccccc2c1 FL3 1-naphthalen-2-ylethanone +Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F FL4 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine +CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C FL5 12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium +COC(=O)C[C@@H](C(=O)O)N FL6 (2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl FL7 flurazepam +CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br FL8 6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone +c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O FL9 3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone +[C@H](C(=O)O)(C(F)(F)F)N FLA trifluoroalanine +CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F FLB 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene +C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O FLC citrate anion +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC FLD bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine +CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1 FLE furoyl-leucine +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F FLF 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid +CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O FLG fluoresceinylthioureido +C=O FLH formaldehyde +CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O FLI (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one +Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5 FLJ (3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +C1C[NH+]=C(N1)NNC(=O)CCCl FLK 3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide +c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl FLL octahedral ru-pyridocarbazole +Cc1c(cccc1F)N FLM 3-fluoro-2-methyl-aniline +c1ccc(cc1)C2=CC(=O)c3ccccc3O2 FLN 2-phenyl-4h-chromen-4-one +[F-] FLO fluoro group +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLP flurbiprofen +CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O FLQ n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide +C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLR (2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid +C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLS 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F FLT fluoromalonyl tyrosine +c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O FLU 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid +c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O FLV flaviolin +CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F FLW 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3 FLX n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid +CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLY 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4 FLZ 8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O FM0 (3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid +CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1 FM1 2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol +C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FM2 2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O FM4 [(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid +CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O FM5 3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid +c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O FM6 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid +c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F FM7 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid +c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O FM8 [(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid +CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F FM9 4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide +CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C FMA 6-(3-tetradecanoic acid) flavine mononucleotide +C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMB formycin b +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMC (1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol +C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O FMD 4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +CSCC[C@@H](C(=O)O)NC=O FME n-formylmethionine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O FMF 2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F FMG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N FMH 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide +CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C FMI fe-(4-mesoporphyrinone)-r-isomer +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N FMJ 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine +C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C FMK 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F FML 6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F FMM n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FMN flavin mononucleotide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O FMO 2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O FMP formycin-5'-monophosphate +Cc1c(cnn1c2ccc(cc2)F)CO FMQ [1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol +C(=C/C(=O)[O-])\C(=O)[O-] FMR fumarate +C(F)(F)(F)S(=O)(=O)N FMS trifluoromethane sulfonamide +C(=O)O FMT formic acid +C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F FMU 5-fluoro-5-methyluridine-5'-monophosphate +C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C FMV (1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol +CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C FMW ~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4 FMX famoxadone +c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 FMY n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C FMZ (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid +CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O FN0 (3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one +CN1CCC[C@H]1c2cc(cnc2)F FN1 5-fluoronicotine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FN2 (1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O FN3 [(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O FN5 cmp-3f(a)-neu5ac +c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N FN6 (2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +Cc1cc(nc(c1C(=O)O)C)C FN7 2,4,6-trimethylpyridine-3-carboxylic acid +CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O FN8 (~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide +Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C FN9 3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one +c1ccc(cc1)Nc2cccc3c2cccc3 FNA n-phenylnaphthalen-1-amine +C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC FNB 1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4 FNC 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C FND 11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C(#O)[Fe]1(S[Ni]1)(C#O)C#O FNE (mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni) +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O FNF (2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N FNG 5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4 FNH (2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid +c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5 FNI 3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide +CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O FNJ 4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C FNK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3 FNM (5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one +c1cc(c(cc1O)F)[N+](=O)[O-] FNN 3-fluoro-4-nitrophenol +CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C FNO 2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione +c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FNP {[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid +c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FNQ 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FNR 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-] FNS n-sulfo-flavin mononucleotide +C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O FNT (2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O FNU 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) +Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F FNV 4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N FNX (4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O FNY 1-fructofuranosyl-d-nystose +c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F FNZ 4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O FO0 6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O FO1 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol +CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 FO2 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O FO4 sphingomyelin +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N FO5 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile +c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F FO7 {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol +c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FO8 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N FO9 famotidine +c1cc(oc1)C(=O)O FOA 2-furoic acid +CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O FOB [(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O FOC fucitol +c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N FOD (2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid +CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N FOE 2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide +CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C FOF (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N FOG (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C FOH (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO FOI methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate +c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O FOJ 3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile +CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O FOK forskolin +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FOL folic acid +C(CN(C=O)O)CP(=O)(O)O FOM 3-[formyl(hydroxy)amino]propylphosphonic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FON n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O FOO (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid +C[C@H](C[NH3+])O FOP 2-hydroxy-propyl-ammonium +CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O FOQ [(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C=O FOR formyl group +c1ccc(cc1)COC(=O)NCP(=O)(O)O FOS [[n-(benzyloxycarbonyl)amino]methyl]phosphate +C1(=C(NC(=O)NC1=O)C(=O)O)F FOT 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +[C@H]1(C([C@H](NC(=O)N1)O)F)O FOU (5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F FOV n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline +c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FOW 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O FOX ((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 FOY 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FOZ n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO FP0 (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate +CN\1C=CC=C/C1=C/NO FP1 n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine +c1ccc(c(c1)O)F FP2 2-fluorophenol +c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl FP3 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol +c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO FP4 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol +B(CNC(=O)Cc1ccccc1)(O)O FP5 phenylacetamidomethyl boronic acid +C1CCN(C1)C=O FP6 pyrrolidine-1-carbaldehyde +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O FP7 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FP8 (1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C1[C@H](CN[C@@H]1C(=O)O)F FP9 (4r)-4-fluoro-l-proline +C(=O)(C(F)(F)Br)O FPA bromo(difluoro)acetic acid +c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N FPB n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide +C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O FPC d-fructose-6-phosphate (open form) +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O FPD 5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin +C([C@@H](C(=O)O)OP(=O)(O)O)F FPE 3-fluoro-2-(phosphonooxy)propanoic acid +CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C FPF (2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O FPG (1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1 FPH 3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol +C1CCN(CC1)C=O FPI n-formylpiperidine +CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FPJ 5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine +C1C[C@H](N(C1)C=O)C(=O)O FPK 1-formyl-l-proline +c1ccc(cc1)Oc2ccc(cc2O)F FPL 5-fluoro-2-phenoxyphenol +C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O FPM (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +c1cc(ccc1O)F FPN 4-fluorophenol +[O-]P(=O)([O-])F FPO fluoro-phosphite ion +CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPP farnesyl diphosphate +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C FPQ (2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid +c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N FPR (3s)-3-amino-4-oxo-7-phenylheptanoic acid +CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPS s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N FPT n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5 FPU 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5 FPW 1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F FPX n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide +C1=C([C@@H](NC(=O)N1)O)F FPY (4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one +c1ccc(cc1)P(c2ccccc2)c3ccccc3 FPZ triphenylphosphane +CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C FQ0 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ4 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQ5 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl FQ7 2-[(3,5-dichlorophenyl)amino]benzoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O FQ8 [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate +c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N FQA n~6~-benzyl-l-lysine +CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQB 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl FQC 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one +c1cc(ccc1c2csc3c2C(=O)NC=N3)F FQD 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one +CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQE 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C FQF (2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O FQG 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide +c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQH 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1C(=O)N)Cl FQI 5-chloro-2-thiophenecarboxamide +Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl FQJ 2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5 FQK 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O FQL (2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide +c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N FQM 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5 FQN 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O FQP 4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate +CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl FQQ 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQR [(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate +CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC FQT [(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate +C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQU 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +CC#CC[Se]c1ccc(cc1)S(=O)(=O)N FQV 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide +c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N FQW 2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-] FQX [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide +c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2 FQY 4-(cyclohexylselanyl)benzene-1-sulfonamide +C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O FQZ (1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid +c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N FR0 n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O FR1 2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid +c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N FR2 1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide +c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N FR3 1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR4 1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N FR5 1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O FR6 1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O FR7 1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide +c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR8 1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR9 1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide +CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O FRA [4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid +c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N FRB 2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide +C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O FRC 1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide +C[C@H](Cc1ccccc1)N FRD 1-phenyl-2-aminopropane +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O FRE feruloyl coenzyme a +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N FRF phe-reduced-phe +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC FRG 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester +[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O FRH 5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid +CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N FRI 2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br FRJ 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide +CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O FRK n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide +C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O FRL 1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide +Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F FRM 2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone +C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O FRO (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N FRP n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide +c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F FRQ 5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione +C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O FRR (3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4 FRS 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC FRT n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O FRU beta-d-fructofuranose +Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC FRV 4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O FRW 4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl FRX (s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl FRY (2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N FRZ 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +S[Fe]1S[Fe]S1 FS0 fe2/s3 cluster +S=[Fe] FS1 iron/sulfur cluster +O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6 FS2 fe-s-o hybrid cluster +S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6 FS3 fe3-s4 cluster +[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92 FS4 iron/sulfur cluster +S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 FS5 iron/sulfur penta-sulfide connected clusters +C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1 FS7 (2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O FS8 n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide +c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F FS9 1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide +C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O FSA 1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose +c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F FSB n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC FSC fusicoccin +C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O FSD amicetin +c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O FSE 3,7,3',4'-tetrahydroxyflavone +O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3 FSF 4fe-2s-o hybrid cluster +[C@H](C(=O)NO)(F)P(=O)(O)O FSG [(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid +Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FSH (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O FSI 5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O FSJ (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF FSK 6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O FSL (2r)-2-phenylbutanedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O FSM forsmann antigen +c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F FSN (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine +O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S] FSO iron/sulfur/oxygen hybrid cluster +CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F FSP [1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate +C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O FSQ (1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O FSR (2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C FSS 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C FST o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate +COCCCN1Cc2cccc(c2C1=O)C(=O)N FSU 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O FSV 5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O FSW methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside +[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5 FSX bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii) +Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O FSY fevipiprant +[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2 FSZ 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine +c1ccc(cc1)Oc2ccc(cc2O)C=O FT0 3-hydroxy-4-phenoxybenzaldehyde +c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl FT1 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde +c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl FT2 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol +c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl FT3 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol +CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F FT4 [(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid +C1[C@H](C(C(CC1C(=O)O)O)O)O FT5 (3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N FT6 6-fluoro-l-tryptophan +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C FT7 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S FT8 omapatrilat +c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3 FTA 3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F FTB n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl FTC n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F FTD [(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +c1ccc(cc1)N=C=S FTE phenylisothiocyanate +c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O FTG (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide +Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N FTH 1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N FTI 1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl FTJ (2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid +c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F FTK 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione +Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N FTL 4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile +C(C(=O)N)F FTM 2-fluoroacetamide +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F FTN n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O FTO ~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate +Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-] FTP 3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium +CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C FTQ bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold +c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N FTR fluorotryptophane +c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF FTS (3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CCCCCCCCCCC[C@H](CC(=O)O)O FTT 3-hydroxy-tetradecanoic acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F FTU 5-fluorotubercidin +C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl FTV (2r)-2-(2,4-dichlorophenoxy)propanoic acid +CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC FTW 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl FTX (1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O FTY deoxy-difluoromethelene-phosphotyrosine +c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F FTZ n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine +c1cc(oc1)CCOC(=O)O FU0 2-(furan-2-yl)ethyl hydrogen carbonate +C1CCOC1 FU1 tetrahydrofuran +c1cc(oc1)C=O FU2 furfural +c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl FU3 2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O FU4 2,6-anhydro-1-deoxy-d-galactitol +Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F FU5 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine +C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2 FU6 3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide +CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F FU7 2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] FU8 dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+) +c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F FU9 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid +C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C FUA fusidic acid +C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O FUB beta-l-arabinofuranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O FUC alpha-l-fucopyranose +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O FUD d-fructose +C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C FUE 2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O FUF 2-deoxy-2-fluoro-beta-l-fucopyranose +CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C FUG fumagillin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O FUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl FUI n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea +COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O FUJ [(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C FUK 2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O FUL beta-l-fucopyranose +C(=C/C(=O)O)\C(=O)O FUM fumaric acid +c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl FUN 5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5 FUO 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F FUP 2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate +O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O FUQ mo5 cluster +c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-] FUR furazolidone +NS(=O)(=O)N FUS sulfuric diamide +c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3 FUU 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid +c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O FUV (5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine +c1cc(oc1CO)C=O FUX 5-hydroxymethyl-furfural +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O FUY beta-l-fucosyl-azide +c1ccc(c(c1)C(=O)O)NCc2ccco2 FUZ 2-[(furan-2-ylmethyl)amino]benzoic acid +CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O FV0 (2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol +C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O FV1 dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium +[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O] FV2 mo8 cluster +CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C FV3 (2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl FV4 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FV5 (1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl FV7 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O FV8 (4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O FV9 {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +CC(C)[C@@H](C(=O)O)NC=O FVA n-formyl-l-valine +B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O FVC [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl FVD 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FVE (1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O FVF o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl FVG 1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N FVH [[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl FVJ 6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O FVK ~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl FVM 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole +C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O FVN ~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O FVP 2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside +c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O FVQ 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5 FVR 3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O FVS (7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol +C(CC(=O)O)C(=O)CN FVT 5-azanyl-4-oxidanylidene-pentanoic acid +c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F FVV 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole +CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O FVW (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F FVX fluvoxamine +Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F FVY 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine +c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FVZ (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC FW1 fusicoccin a aglycone +C([C@H]([C@H](CO)O)O)C(=O)C(=O)O FW2 l-2-keto-3deoxy-gluconate +Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F FW4 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole +COC[C@H](CO)O FW5 (2~{s})-3-methoxypropane-1,2-diol +CCc1cccc(c1)OP(=O)(O)O FW6 (3-ethylphenyl) dihydrogen phosphate +c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F FW7 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O FW8 1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea +COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4 FW9 n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl FWA 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole +C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N FWB 3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O FWC n-methylanthraniloyl-coa +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F FWD 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N FWE 4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C FWF n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4 FWG cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C FWH 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FWI (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F FWJ 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FWK (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol +C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O FWL 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4 FWM 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CCOCCOCCOCCO FWN 2-[2-(2-ethoxyethoxy)ethoxy]ethanol +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N FWO (2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid +COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWP 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWQ p-sulfonatocalix[6]arene +C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5 FWS (2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWT p-sulfonatocalix[8]arene +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl FWV n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O FWW 4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C FWX 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide +c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWY hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium +Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O FWZ (2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O FX0 (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid +C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O FX1 beta-d-threo-hexo-2,4-diulo-2,5-furanose +CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC FX2 7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one +COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O FX3 5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose +COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O FX4 [(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid +c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol +CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N FX6 (2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid +CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate +Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O FX8 (2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl FXA n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate +Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC FXE 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea +CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2 FXG n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide +CN(C)Cc1c2ccccc2ccc1O FXH 1-[(dimethylamino)methyl]naphthalen-2-ol +CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C FXI 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXJ 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate +c1ccc2c(c1)c(c[nH]2)CO FXK 1~{h}-indol-3-ylmethanol +CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C FXM 2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate +c1cc2c(cc1F)cc([nH]2)C(=O)NCCS FXN 5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide +[H]/N=C(/N)\NCCCCNC(=N)N FXQ 1-(4-carbamimidamidobutyl)guanidine +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O FXR 6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-] FXS 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate +[H]/N=C(/N)\NCCCCCNC(=N)N FXT 1-(5-carbamimidamidopentyl)guanidine +CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N FXU (2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide +C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-] FXV methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate +c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6 FXW 6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N FXX (3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid +CCCCCC[C@@H](C)NC=O FXY 1-methylheptylformamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O FY0 (2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid +COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FY1 n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide +c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O FY2 2,3-difluoro-l-tyrosine +c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N FY3 2,3,5-trifluoro-l-tyrosine +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-] FY4 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate +C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O FY5 estrone 3-sulfate +C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O FY6 (1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol +c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FY7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate +c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O FY8 n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide +CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O FY9 (2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one +c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FYA adenosine-5'-[phenylalaninol-phosphate] +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O FYB ~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide +C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3 FYC 3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide +COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FYD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O FYE 6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide +C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O FYF (1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol +C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N FYG (2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3 FYH 3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC FYI n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide +c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O FYJ phenyl 1-thio-beta-d-glucopyranosiduronic acid +c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O FYK 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O FYL 2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3 FYM 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O FYN s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate +C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N FYO 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F FYP ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N FYQ n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide +c1ccc(cc1)c2ccc(c(c2)O)C(=O)O FYR 2-oxidanyl-4-phenyl-benzoic acid +CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O FYS 4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol +C1=C(C(=O)NC(=O)N1)C=O FYU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde +c1cc2ncc(n2nc1)c3ccncc3 FYV 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F FYW 6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide +c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N FYX 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile +B(c1ccccc1)(c2ccc(cc2)Br)OCCN FYY 2-aminoethyl (4-bromophenyl)phenylborinate +c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FYZ (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol +c1cc(cc(c1)OC(F)(F)F)NC(=O)CN FZ0 2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide +COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5 FZ1 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline +c1cc(ccc1CCCn2ccnc2)Cl FZ3 1-[3-(4-chlorophenyl)propyl]imidazole +B(c1ccccc1)(c2ccccc2)OCCN FZ4 2-aminoethyl diphenylborinate +CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FZ5 scorzodihydrostilbene a +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N FZ6 (2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide +c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4 FZ8 4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine +c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4 FZ9 4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine +CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC FZA (13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one +CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C FZB 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5 FZE 8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5 FZF 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5 FZH 8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FZI (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C FZJ 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZK 5'-o-(n-(l-seryl)-sulfamoyl)uridine +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O FZL 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(cc1)c2cn3c(n2)CCC3 FZM 2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O FZN (2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O FZO 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F FZP (4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZQ 5'-o-(n-(l-seryl)-sulfamoyl)cytidine +Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4 FZR 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O FZS (2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZT 5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine +C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O FZU (2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 FZV tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F FZW 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(cc1)Cn2ccnc2C(=O)O FZX 1-(phenylmethyl)imidazole-2-carboxylic acid +Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C FZZ 1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G guanosine-5'-monophosphate +[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC G00 4-butoxy-3-chlorobenzyl imidothiocarbamate +C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O G01 n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F G02 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O G03 methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC G04 (3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC G05 (4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O G06 methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O G07 4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N G08 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5 G09 2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N G0B (1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O G0C [6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0D tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F G0E 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O G0F [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5 G0G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide) +Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0H 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0J nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide +Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0K 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0M tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F G0N 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2 G0O (s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide +c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O G0P n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl G0Q ~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +[H]/N=C(/N)\NCCCCNC(=O)C G0R n-(4-carbamimidamidobutyl)ethanamide +C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O G0S 3-(beta-d-galactopyranosylthio)propanoic acid +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O G0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O G0U 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0V tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] G0W 1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil +c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl G0X 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0Y tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O G0Z [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N G10 (3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4 G11 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide +CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br G12 3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC G13 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide +c1ccc(cc1)c2[nH]cc(n2)C(=O)O G14 2-phenyl-1h-imidazole-4-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl G15 5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O G16 1,6-di-o-phosphono-alpha-d-glucopyranose +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F G17 n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc2c(c1)-c3ccsc3NC2=O G18 4h-thieno[2,3-c]isoquinolin-5-one +C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O G19 (2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N G1C 5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G1D nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N G1E (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O G1G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine +C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C G1H 2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3 G1J tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O G1K 5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid +CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F G1L 3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide +C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G1M 2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine +c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O G1N 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC1=CNC(=O)c2c1c(ccc2)N G1O 5-amino-4-methylisoquinolin-1(2h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O G1P 1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N G1R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC G1S diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1T 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO G1W methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate +C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N G1X (2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid +c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4 G1Y n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1Z 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O G20 5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C G21 5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C G23 (2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid +Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O G24 [4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G25 guanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C G26 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide +c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO G27 (3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol +CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C G28 5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C G29 (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO G2A 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate +C[C@@H]([C@@H](CNC(=O)N)N)O G2B 1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N G2C 2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5 G2D n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O G2F 2-deoxy-2-fluoro-alpha-d-glucopyranose +Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6 G2G 5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium +C(C(CO)OP(=O)(O)O)O G2H 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO G2I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5 G2J n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O G2K 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O G2L 3'-o-methyoxyethyl-guanosine-5'-monophosphate +CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G2M 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3 G2N ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C G2O chlorophyll a ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N G2P phosphomethylphosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N G2Q guanosine diphosphate ribose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N G2R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N G2S guanosine-5'-dithiophosphorate +CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC G2T diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate +CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4 G2V 6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline +C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F G2X 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O G2Y 1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside +C[C@@H](CNC(=O)O)N G2Z [(2~{s})-2-azanylpropyl]carbamic acid +c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F G30 (1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid +C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N G31 3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G32 o6-methyl-2'-deoxy-guanosine-5'-monophosphate +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N G33 8-methyl-2'-deoxyguanosine 3'-monophosphate +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C G34 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate +[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O G35 (5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G36 o6-ethyl-2'-deoxyguanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C G37 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N G38 3'-amino-2'-deoxy-guanosine-5'-monophosphate +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O G39 (3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G3A guanosine-p3-adenosine-5',5'-triphosphate +Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C G3B 2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole +c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O G3C (1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N G3D guanosine-3'-monophosphate-5'-diphosphate +c1ccc2c(c1)C=C(C(=O)N2)O G3E 3-hydroxyquinolin-2(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O G3F 3-deoxy-3-fluoro-beta-d-glucopyranose +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N G3G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide) +C([C@H](C=O)O)OP(=O)(O)O G3H glyceraldehyde-3-phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO G3I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl G3J 1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one +CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl G3K 2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C G3L nomilin +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O G3M (3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N G3N (2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O G3O (1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol +C([C@H](COP(=O)(O)O)O)O G3P sn-glycerol-3-phosphate +CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O G3Q r-talinolol +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2 G3R 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol +CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O G3S 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid +CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3 G3T 1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F G3U 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO G3V n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid +c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F G3W 2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O G3X (4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol +CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4 G3Z 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O G40 methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O G42 8-oxo-2'-deoxy-guanosine-5'-monophosphate +CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC G43 [(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate +[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N G44 4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N G45 5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N G46 guanosine-5'-monothiophosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS G47 n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O G48 2'-o-methyoxyethyl-guanosine-5'-monophosphate +CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 G49 n2-methyl-2'-deoxy-guanosine-5'-monophosphate +CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O G4A 2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium +CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C G4B thalassospiramide c +C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O G4C 2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone +C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO G4D 4-deoxy-alpha-d-glucopyranose +Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4 G4E ~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N G4F [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N G4G 4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4H ~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide +Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F G4J [(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4K borussertib +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O G4M [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4N ~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide +CC(C)N G4O propan-2-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N G4P guanosine-5',3'-tetraphosphate +CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4Q ~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O G4S 4-o-sulfo-beta-d-galactopyranose +CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4T ~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide +CCCCCCCCCCCCCC=S G4U tetradecanethial +[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F G4V (z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine +c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N G4W 6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile +CCCCCCCCCCCCCCCC=S G4X hexadecanethial +[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5 G4Y n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl G4Z (1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol +c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O G50 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F G51 (5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G52 (3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC G53 methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate +C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N G54 [(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC G55 (5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F G56 (2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N G57 2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F G58 n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C G59 (5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N G5A 5'-o-(glycylsulfamoyl)adenosine +C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl G5B (3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N G5C 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N G5D 4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide +c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F G5E 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione +C[C@](C[C@@H](C(=O)O)N)(CO)O G5G (2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5H 5'-o-(n-(l-aspartyl)-sulfamoyl)uridine +COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O G5J 5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G5K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one +CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O G5L 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O G5M (2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5N 5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl G5O 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G5P p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5Q 5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine +Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4 G5R 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea +c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3 G5T 3-(6-morpholin-4-ylpyridin-2-yl)phenol +CC1=C(C(=O)C(=CO1)O)C(=O)O G5V 5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N G5W (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N G5X 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide +C1=COC(=C(C1=O)O)C(=O)O G5Y 3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N G5Z (2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide +Cc1c(c2cc(ccc2[nH]1)Cl)CCN G60 2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC G61 tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4 G62 3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N G63 mannose-alpha-1,3-2-aminodeoxymannojirimycin +Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O G64 n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C G65 masitinib +CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC G67 (3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide +c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 G68 3-[6-(oxan-4-yl)pyridin-2-yl]phenol +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO G69 n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de +Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4 G6A n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N G6B (2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide +C1=CC(=O)NC=C1O G6C 5-oxidanyl-1h-pyridin-2-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O G6D alpha-d-quinovopyranose +C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N G6E (2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N G6F 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C G6G n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F G6H n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F G6I n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide +CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F G6J (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one +CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G6K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one +CCCN[C@H]1CCc2c(sc(n2)N)C1 G6L (6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3 G6M 2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O G6O (4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O G6P 6-o-phosphono-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O G6Q glucose-6-phosphate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G6R n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O G6S 6-o-sulfo-beta-d-galactopyranose +c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N G6T 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide +CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F G6U ~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3 G6V 2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N G6W 2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O G6X 2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O G6Y 3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid +CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N G6Z 1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C G70 (2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid +c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G71 n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O G72 (1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N G73 (2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C G74 ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 G75 ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] G76 [2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate) +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G77 (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G79 (3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F G7A (5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid +CC(=O)c1csc(n1)NC(=O)C(C)(C)N G7B 2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide +c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O G7D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid +CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4 G7E ~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O G7G genistein-7-o-glucuronide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O G7H (2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1C=C2C=C(C(=O)C=C2N1)O G7J 5-hydroxy-1,2-dihydro-6h-indol-6-one +COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F G7K trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O G7M n7-methyl-guanosine-5'-monophosphate +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C G7N (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O G7P 6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose +CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F G7Q (2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F G7T ~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N G7V 4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N G7W (~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C G7X ispinesib mesilate +CNC(=O)CCN1C(=O)CCC1=O G7Z 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C G80 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C G81 ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G82 ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G83 ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5 G84 o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3 G85 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C G86 n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl G87 metosulam +C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O G88 (2s)-2-(phosphonomethyl)pentanedioic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC G89 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC G8A ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N G8B 3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC G8C 1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O G8D [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N G8E 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide +COc1cccc(c1)S(=O)(=O)N G8F 3-methoxybenzenesulfonamide +Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C G8G (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate +c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3 G8H 2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3 G8J 6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4 G8K [2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +c1cc2cccnc2c(c1)S(=O)(=O)N G8L quinoline-8-sulfonamide +C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O G8M (1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N G8N 3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +COc1cc(c(cc1c2cccs2)C(=O)O)OC G8O 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid +CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O G8Q (1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G8R (1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl G8S 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O G8T (1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol +Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl G8U 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +CN(C)c1cc[n+](cc1)Cc2ccccc2 G8V 1-benzyl-4-(dimethylamino)pyridinium +c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F G8W (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1CN[C@@H]([C@@H]1O)C(=O)O G8X (2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid +c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G8Y (8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO G8Z prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside +CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O G90 2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile +c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G91 (8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F G92 [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone +CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4 G93 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol +c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G94 n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4 G95 n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide +CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4 G97 n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide +CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4 G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C(/C=C/C(=O)O)C(=O)O G9A (2e)-pent-2-enedioic acid +CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N G9B n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide +C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F G9C n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide +c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4 G9D 3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one +COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F G9E [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone +CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O G9F 2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3 G9G 2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one +CN(C)Cc1nc2cccc3c2n1CCNC3=O G9H 2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5 G9I 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O G9J (2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol +COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5 G9K [2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4 G9L 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one +c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O G9M n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide +COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl G9N (2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide +CCCCCCCCCCCCCC(=O)NO G9O n-oxidanyltetradecanamide +c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O G9P (11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid +CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C G9Q 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C G9R chlorophyll d isomer +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O G9S s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br G9U (6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5 G9V 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O G9W (3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl G9X (6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4 G9Y 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O G9Z agropinic acid +[Ga+3] GA gallium (iii) ion +C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN GA0 glycylalanyl-n-2-naphthyl-l-prolineamide +c1nc2c(n1COC(CO)CO)N=C(NC2=O)N GA2 9-(1,3-dihydroxy-propoxymethane)guanine +C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O GA3 gibberellin a3 +C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O GA4 gibberellin a4 +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA5 tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O GA6 3-[4-(methylsulfonylamino)phenyl]benzoic acid +C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O GA7 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA8 tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate +c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl GA9 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one +c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] GAA 3-nitrophenyl alpha-d-galactopyranoside +c1cc(cc(c1)N)C(=O)O GAB 3-aminobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO GAC dihydro-acarbose +C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O GAD 2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid +[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O GAE d-galactaric acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O GAF 2-deoxy-2-fluoro-alpha-d-galactopyranose +c1c(c(no1)O)C(=O)O GAG 3-hydroxyisoxazole-4-carboxylic acid +[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N GAH n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide +C(=N)(N)N GAI guanidine +c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4 GAJ n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide +S1[Ga]S[Ga]1 GAK [2ga-2s] cluster +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GAL beta-d-galactopyranose +C[C@](CCC(=O)O)(C(=O)O)N GAM alpha-methyl-l-glutamic acid +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N GAN 2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N GAO guanine arabinose-5'-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N GAP glycyl-adenosine-5'-phosphate +C(CCO)CC=O GAQ 5-hydroxypentanal +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-] GAR glycinamide ribonucleotide +c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N GAS n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid +c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O GAT 4-aminophenyl alpha-d-galactopyranoside +C(CC(=O)O)[C@@H](CO)N GAU (4s)-4-amino-5-hydroxypentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N GAV guanosine-5'-rp-alpha-thio-triphosphate +Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C GAW 2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide +c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 GAX 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea +COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GAZ l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine +CP(=O)(O)O GB methylphosphonic acid ester group +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GB0 bacteriochlorophyll g' +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB1 (2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB2 (2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O GB3 (2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol +c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO GB4 (2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide +c1cc(ccc1\C=C\C(=O)NO)Cl GB5 (2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O GB6 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one +CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2 GB7 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N GB8 (2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F GB9 n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N GBA 8-bromoadenosine +C1CC(C=C(C1)C(=O)O)N GBC gabaculine +c1(c(nsn1)O)C(=O)O GBD 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid +C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O GBE 3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GBF bacteriochlorophyll g +[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N GBG n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine +C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O GBH 2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid +c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBI s-(3-iodobenzyl)glutathione +CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C GBJ 4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol +COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3 GBK (2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine +C1CC(=O)OC1 GBL gamma-butyrolactone +COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl GBM 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide +C1CCC(CC1)(CC(=O)O)CN GBN [1-(aminomethyl)cyclohexyl]acetic acid +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 GBO (2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br GBP s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F GBQ 5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N GBR 5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O GBS 4-carbamimidamidobenzoic acid +Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5 GBT (8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one +Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C GBU (1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol +c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3 GBV n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O GBW (2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBX 2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid +c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O GBZ (2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O GC1 2,6-anhydro-l-gulonic acid +CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O GC2 6-acetamido-6-deoxy-castanospermine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O GC3 (3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O GC4 4-deoxy-beta-d-glucopyranuronic acid +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N GC6 [(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone +C(CCCN)CCCNC(N)N GC7 1-guanidinium-7-aminoheptane +c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl GC8 2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide +C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O GC9 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C GCA 6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil +[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O GCB (2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid +C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N GCC [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O GCD 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC GCE (2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N GCF 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N GCG bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C GCH glycocholic acid +c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O GCK phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O GCL 1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane +CC(=O)CN GCM glycylmethylene group +C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N GCN 2-amino-2,3-dideoxy-alpha-d-glucoyranose +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O GCO d-gluconic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GCP phosphomethylphosphonic acid guanylate ester +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F GCQ gemcitabine diphosphate +CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C GCR gallichrome +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O GCS 2-amino-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O GCT 2,6-anhydro-3-deoxy-l-xylo-hexonic acid +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O GCU alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O GCV 4-o-methyl-alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O GCW 4-o-methyl-beta-d-glucopyranuronic acid +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O GCY n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2 GCZ n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide +[Gd] GD gadolinium atom +CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I GD0 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol +[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N GD1 2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[Gd+3] GD3 gadolinium ion +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C GD4 (5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione +Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl GD5 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +C[C@H](C(C)(C)C)O[P@@H](=O)C GD7 (1r)-1,2,2-trimethylpropyl (r)-methylphosphinate +C[C@H](C(C)(C)C)O[P@H](=O)C GD8 (1r)-1,2,2-trimethylpropyl (s)-methylphosphinate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6 GD9 2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O GDA 4-amino-4-deoxy-beta-d-glucopyranose +c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDB 1-(s-glutathionyl)-2,4-dinitrobenzene +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDC guanosine-5'-diphosphate-beta-l-galactose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDD guanosine-5'-diphosphate-alpha-d-mannose +c1c(cc(c(c1O)O)O)C(=O)O GDE 3,4,5-trihydroxybenzoic acid +CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC GDF vinorelbine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N GDG gdp-alpha-d-glucose +Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC GDH 7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3 GDI (2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide +Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3 GDK 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O GDL 2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC GDM geldanamycin +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDN glutathione s-(2,4 dinitrobenzene) +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N GDO 3'-deoxy-guanosine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GDP guanosine-5'-diphosphate +C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO GDQ (1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GDR guanosine-5'-diphosphate-rhamnose +C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GDS oxidized glutathione disulfide +CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O GDT (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O GDU galactose-uridine-5'-diphosphate +CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3 GDV (5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide +CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2 GDW 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N GDX guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester +c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3 GDY (5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C GDZ 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one +CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O GE0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate +C1C[C@H]([C@H](O[C@@H]1CN)O)N GE1 2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose +C1[C@H](CC(C[C@H]1N)O)N GE2 3,5-diamino-cyclohexanol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O GE3 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC GE5 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F GE6 [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C GE7 (2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid +CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl GE8 2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide +C1CN(CCN1CCC=O)CCC=O GEB 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal +COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O GEC 4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +CCOC(=O)CN GEE ethyl glycinate +COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O GEF 4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +C\C=C(/CCC(=O)O)\N GEG (4e)-4-aminohex-4-enoic acid +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl GEH 2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F GEI (2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N GEK (2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate +CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O GEL 1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine +C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N GEM (2-guanidinoethylmercapto)succinic acid +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O GEN genistein +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F GEO gemcitabine +C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O GEP n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion +c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6 GEQ 5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C GER geran-8-yl geran +CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C GES 3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name) +C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O GET geneticin +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C GEU 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione +Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 GEV (5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC GEW 3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide +CSc1ccccc1N2CCNCC2 GEX 1-(2-methylsulfanylphenyl)piperazine +CCCCCCCCC/C=C\C(=O)O GEY (2z)-dodec-2-enoic acid +Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C GEZ 6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N GF0 2'-deoxy-2'-fluoroguanosine +C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O GF1 (2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GF2 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)COC23CCNCC3 GF3 spiro[1h-2-benzofuran-3,4'-piperidine] +CCC1=C(NN(C1=O)c2[nH]nnn2)C GF4 4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one +C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GF5 (2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +c1cc(cc(c1)NC(=O)N)C(F)(F)F GF6 1-[3-(trifluoromethyl)phenyl]urea +CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O GF7 (3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid +c1cc(c(cc1CC(=O)NCCS)Cl)Cl GF8 2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide +CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl GF9 2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl GFA 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GFB guanosine-5'-diphosphate-beta-l-fucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GFC 5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C GFE 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N GFF 2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N GFH 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6 GFJ 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine +COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F GFK 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GFL 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O GFM 2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F GFN 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4 GFO 2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O GFP 2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose +CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GFQ 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O GFR 4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1 GFT (2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid +COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O GFU 4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O GFV hydroxy pioglitazone (m-iv) +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C GFW ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5 GFZ 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide +C(C(=O)NCC(=O)O)N GG0 2-(2-azanylethanoylamino)ethanoic acid +CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4 GG1 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid +COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O GG2 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide +C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O GG3 {1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-] GG4 (2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide +c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F GG5 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine +C[C@@H]([C@@H](O)P(=O)(O)O)O GG6 [(1s,2s)-1,2-dihydroxypropyl]phosphonic acid +C[C@H](N)P(=O)(O)O GG7 [(1r)-1-aminoethyl]phosphonic acid +c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GG8 ~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O GG9 (3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N GGA d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide +[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N GGB l-canavanine +c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GGC 1-menaphthyl glutathione conjugate +CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC GGD nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester +COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O GGE (1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N GGF 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one +C(C(=O)NCC(=O)NCC(=O)O)N GGG glycylglycylglycine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N GGH 2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine +COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N GGJ 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine +CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GGK 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)N GGL gamma-l-glutamic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O GGM 3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate +CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GGN 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2 GGO (4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one +c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O GGP beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose +CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C GGS phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid +Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O GGT trioxacarcin a +CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC GGV methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC GGW methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate +Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C GGX methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C GGY 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N GGZ (2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide +COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3 GH1 (5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GH2 ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N GH3 3'-deoxy-guanosine-5'-triphosphate +[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F GH4 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile +c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F GH5 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one +C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O GH7 (3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5 GH8 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide +C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O GHA 1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt +CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F GHB 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHC n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O GHE (2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid +C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O GHG (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name) +C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C GHJ (3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N GHK 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide +c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O GHM benzene-1,2,4-tricarboxylic acid +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GHN ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1cc(ccc1[C@H](C(=O)O)N)O GHP (2r)-amino(4-hydroxyphenyl)ethanoic acid +c1ccc(cc1)C(=O)NCCC(F)(F)F GHQ ~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl GHR [[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate +[H]/N=C(\N)/NCCCCCC(=O)O GHS 6-carbamimidamidohexanoic acid +CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O GHT boldine +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC GHU ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate +CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO GHV (2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide +Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHW n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 GHX (phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHY propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHZ 2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O GI1 methoxycarbonyl-substituted glucoimidazole +COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GI2 methyl acetate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O GI3 carboxylate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O GI4 methyl acetic acid-substituted glucoimidazole +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N GI6 (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N GI8 (4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O GIA 3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O GIC n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine +C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO GIF d-galacto-isofagomine +COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F GIG methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate +[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N GIL 2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid +c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GIM glucoimidazole +CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3 GIN 2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide +C1C[C@H]2C(=O)NCC(=O)N2C1 GIO cyclo-(glycine-l-proline) inhibitor +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I GIP s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione +Cn1c2ccc3c(c2nc1N)cccn3 GIQ 3-methyl-3h-imidazo[4,5-f]quinolin-2-amine +c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O GIR girodazole +CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl GIS ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate +CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3 GIT [1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate +C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O GIV beta-l-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C GIX protoporphyrin ix containing ga +Cc1cc(ccc1OCc2cccc(n2)CO)OC GJ1 {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GJ2 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GJ5 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N GJ7 2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GJ8 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N GJA 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O GJB 1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N GJD 4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide +c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-] GJE 4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ncc1C(=O)N)NC2CCCCC2 GJG 6-(cyclohexylamino)pyridine-3-carboxamide +CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N GJJ 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide +CC(=O)/C=C/c1ccc(c(c1)OC)O GJK (~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one +Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C GJL 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one +CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-] GJO 4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide +c1ccc2c(c1)c(c(cn2)C(=O)O)O GJP 4-hydroxyquinoline-3-carboxylic acid +c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-] GJQ (2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine +c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl GJR 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine +c1cc(c(cc1O)C(=O)O)C(=O)O GJS 4-hydroxybenzene-1,2-dicarboxylic acid +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O GJT (3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid +C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl GJU 9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N GJV 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine +c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4 GJW 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one +CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F GJY methyl-9z,12z,15z-octadecatrienylphosphonofluoridate +c1ccc(cc1)[C@@H]2C[C@H]2N GJZ (1r,2s)-2-phenylcyclopropanamine +c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O GK0 3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide +Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O GK1 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde +B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O GK2 [(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid +Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C GK3 n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C GK4 n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4 GK5 n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5 GK6 n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C GK7 methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N GK8 {[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl +COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl GK9 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C GKA (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide +Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F GKB (2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide +C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GKC (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N GKD guanosine 5'-diphosphate-4-keto-beta-l-gulose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GKE guanosine 5'-diphosphate-beta-l-gulose +c1cc(c2c(c1)c(n[nH]2)I)C=O GKF 3-iodanyl-1~{h}-indazole-7-carbaldehyde +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C GKG 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O GKH [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate +CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C GKJ pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N GKK 2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile +CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N GKL n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C GKM 1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O GKN 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid +c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O GKP (2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid +c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4 GKQ ~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide +[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O GKR d-glucarate +C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O GKS 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol +Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4 GKT 3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +C[C@H](Cc1ccc(cc1)O)NC GKU 4-[(2r)-2-(methylamino)propyl]phenol +COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO GKW 1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2 GKX (2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid +CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC GKY n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine +Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl GKZ 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide +C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O GL0 beta-d-gulopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O GL1 1-o-phosphono-alpha-d-galactopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O GL2 (5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +C(C(=O)S)N GL3 thioglycin +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O GL4 (5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O GL5 (5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC GL6 n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine +CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL7 8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O GL8 galanthamine derivative +CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL9 n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLA alpha-d-galactopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GLB beta-d-galactose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLC alpha-d-glucopyranose +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O GLD 4,6-dideoxy-alpha-d-xylo-hexopyranose +CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC GLE 1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O GLF alpha-d-glucopyranosyl fluoride +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O GLG alpha-d-glucopyranosyl-2-carboxylic acid amide +C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N GLH n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O GLI ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome +C(CC(O)O)[C@@H](C(=O)O)N GLJ 5,5-dihydroxy-l-norvaline +C(CC(=O)O)[C@@H](C(O)O)N GLK (4s)-4-amino-5,5-dihydroxypentanoic acid +C12C(NC(=O)N1)NC(=O)N2 GLL glycoluril +CC(=O)CN GLM 1-amino-propan-2-one +C(CC(=O)N)[C@@H](C(=O)O)N GLN glutamine +C(CC(=O)N)[C@@H](C(=O)[O-])[NH-] GLN_LEO2 l-glutamine c-terminal deprotonated fragment +C(CC(=O)N)[C@@H](C(=O)O)[NH-] GLN_LEO2H l-glutamine c-terminal protonated fragment +C(CC(=O)N)[C@@H](C(=O)O)N GLN_LFOH l-glutamine free neutral +C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] GLN_LFZW l-glutamine free zwitterion +C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL l-glutamine - linking embedded fragment +C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 l-glutamine n-terminal protonated fragment +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O GLO d-glucose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O GLP 2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C(CC(=O)O)C(C=O)N GLQ 4-amino-5-oxo-pentanoic acid +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] GLR 2,3-dihydroxy-5-oxo-hexanedioate +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O GLS beta-d-glucopyranose spirohydantoin +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O GLT 5-thio-alpha-d-glucopyranose +C(CC(=O)O)[C@@H](C(=O)O)N GLU glutamic acid +C(CC(=O)O)[C@@H](C(=O)[O-])[NH-] GLU_LEO2 l-glutamic acid c-terminal deprotonated fragment +C(CC(=O)O)[C@@H](C(=O)O)[NH-] GLU_LEO2H l-glutamic acid c-terminal protonated fragment +C(CC(=O)[O-])[C@@H](C(=O)O)[NH-] GLU_LEO2H_DHE2 l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2 +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-] GLU_LEO2_DHE2 l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)O)N GLU_LFOH l-glutamic acid free neutral +C(CC(=O)[O-])[C@@H](C(=O)O)N GLU_LFOH_DHE2 l-glutamic acid-free neutral/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+] GLU_LFZW l-glutamic acid free zwitterion +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GLU_LFZW_DHE2 l-glutamic acid-free zwitterion/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL l-glutamic acid - linking embedded fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 l-glutamic acid n-terminal protonated fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2 +C(=O)C(=O)O GLV glyoxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O GLW 6-deoxyglucose +*=C(*)CC[C@@H](C(=O)O)N GLX glu/gln ambiguous +C(C(=O)O)N GLY glycine +C(C(=O)[O-])[NH-] GLY_LEO2 l-glycine c-terminal deprotonated fragment +C(C(=O)O)[NH-] GLY_LEO2H l-glycine c-terminal protonated fragment +C(C(=O)O)N GLY_LFOH l-glycine free neutral +C(C(=O)[O-])[NH3+] GLY_LFZW l-glycine free zwitterion +C([C-]=O)[NH-] GLY_LL l-glycine - linking embedded fragment +C([C-]=O)[NH3+] GLY_LSN3 l-glycine n-terminal protonated fragment +C(C=O)N GLZ amino-acetaldehyde +C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O GM0 4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose +C(C(=O)N)N GM1 aminomethylamide +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O GM2 n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O GM3 n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide +C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O GM4 (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol +c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO GM5 ~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC GM6 3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide +c1cc(c(cc1N)C(=O)O)C(=O)O GM7 4-aminobenzene-1,2-dicarboxylic acid +CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O GM8 (2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid +CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3 GM9 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +C(CC(=O)O)[C@@H](C(=O)N)N GMA 4-amido-4-carbamoyl-butyric acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMB 1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O GMC (2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO GMD (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol +COC(=O)CC[C@@H](C(=O)O)N GME 5-o-methyl-glutamic acid +[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC GMF 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine +c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O GMG [4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O GMH l-glycero-alpha-d-manno-heptopyranose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O GMI [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F GMJ 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O GMK (3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GMM glucose monomycolate +CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC GMN 2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium] +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O GMO {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N GMP guanosine +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C GMQ 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one +CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C GMR 3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N GMS 2'-deoxyguanosine-5'-monoselenophosphate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O GMT (2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N GMU 2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N GMV guanosine-5'-phosphovanadate +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O GMW (9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O GMX 2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one +C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC GMY geldanamycin +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMZ 1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN0 (2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O GN1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN2 (2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N GN3 [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O GN4 2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose +CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 GN5 2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one +c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N GN6 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N GN7 n7-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S GN8 (z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C GN9 gallinamide a, bound form +CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N GNA 2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid +c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GNB s-p-nitrobenzyloxycarbonylglutathione +CN[C@@H](CCC(=O)N)C(=O)O GNC n~2~-methyl-l-glutamine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+] GND 2-amino-5-guanidino-pentanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O GNE 1,n2-ethenoguanine +COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3 GNF n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N GNG 2'-deoxy-guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N GNH aminophosphonic acid-guanylate ester +c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl GNI (3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid +c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O GNJ 4-hydroxy-8-sulfoquinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl GNK (1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one +CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O GNL (3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O GNM 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4 GNO 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GNP phosphoaminophosphonic acid-guanylate ester +C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3 GNQ n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide +c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO GNR 2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O GNS 2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose +C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O GNT (-)-galanthamine +COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO GNU (2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O GNV 4-hydroxyquinoline-3,8-dicarboxylic acid +c1cc(cc(c1)Cl)CN2CCNCC2 GNW 1-[(3-chlorophenyl)methyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O GNX 2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +CC(C)c1cccc2c1ncc(c2O)C(=O)O GNY 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F GNZ (1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one +c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl GO0 3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid +c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl GO1 3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid +[H]/N=C(/N)\Nc1nc2ccccc2s1 GO2 1-(1,3-benzothiazol-2-yl)guanidine +c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl GO5 (1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one +COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO GO6 (2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O GO7 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide +CC(C)Sc1[nH]c2c(ncnc2n1)N GO8 8-propan-2-ylsulfanyl-7~{h}-purin-6-amine +C(COCCOCC(CO)(COCCO)COCCO)O GO9 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol +C(C(=O)O)O GOA glycolic acid +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC GOB 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOC n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F GOD 6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide +CCCNC(=O)Nc1cccc(n1)C GOE 1-(6-methylpyridin-2-yl)-3-propyl-urea +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOF n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +c1cc(c(c(c1)O)C(=O)O)C(=O)O GOG 3-hydroxybenzene-1,2-dicarboxylic acid +c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4 GOH 5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole +c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O GOI 2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside +CCOC(=O)c1c[nH]nc1 GOJ ethyl 1~{h}-pyrazole-4-carboxylate +Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO GOK 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide +C(C(CO)O)O GOL glycerol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N GOM glutamol-amp +c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N GON 1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide +CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N GOO (1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol +C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O GOP glucopine +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid +C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O GOS d-glucitol-1,6-bisphosphate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC GOT phospholipid pg(16:0/cy17:0) +CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GOU 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine +C[C@@H](CNCc1ccc2c(c1)OCO2)O GOV (2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol +Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GOW 3-benzamido-4-methyl-~{n}-oxidanyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O GOX (2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol +C1CCN(CC1)C(=O)N2CCCCC2 GOY di(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N GOZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F GP0 5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O GP1 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GP2 phosphomethylphosphonic acid guanosyl ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP3 diguanosine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O GP4 2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP5 diguanosine-pentaphosphate +[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N GP6 1-(4-amidinophenyl)-3-(4-chlorophenyl)urea +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC GP7 (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N GP8 1-(2-amidinophenyl)-3-(phenoxyphenyl)urea +C(C(COP(=O)([O-])[O-])O)O GP9 (2r)-2,3-dihydroxypropyl phosphate +[H]/N=C(/N)\NC[C@@H](C(=O)O)N GPA 2-amino-3-guanidino-propionic acid +Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GPB n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N GPC 2'-fluoroguanylyl-(3'-5')-phosphocytidine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N GPD (2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl +C(CO[P@](=O)(O)OC[C@@H](CO)O)N GPE l-alpha-glycerophosphorylethanolamine +C(C(=O)O)NCP(=O)(O)O GPF n-(phosphonomethyl)glycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N GPG guanylyl-2',5'-phosphoguanosine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPH 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2 GPI (2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate +C(C(=O)O)[NH2+]CP(=O)(O)O GPJ glyphosate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F GPK 5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N GPL lysine guanosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O GPM (1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N GPN 2-aminoethylglycine-carbonylmethylene-guanine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPO 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C GPP geranyl diphosphate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl GPQ 5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPR (9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene +c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPS l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O GPT (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br GPU 5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I GPV 1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F GPW 1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N GPX guanosine 5'-diphosphate 2':3'-cyclic monophosphate +CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GQ0 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O GQ1 4-o-sulfo-alpha-d-glucopyranose +CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N GQ3 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C GQ5 1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N GQ6 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine +c1cc(ccc1c2ccc(o2)CO)N GQ7 [5-(4-aminophenyl)furan-2-yl]methanol +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6 GQ8 1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N GQ9 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine +CN1C=CC=C(C1=S)O GQA 1-methyl-3-oxidanyl-pyridine-2-thione +c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N GQB ~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide +Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br GQC 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium +C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O GQD (e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GQE 3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3 GQG n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine +C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQH (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O GQJ methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GQK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O GQL (e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol +COc1ccc(c(c1)O)c2cc[nH]n2 GQM 5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol +COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO GQN 4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C GQO 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)F GQP 1-[(4-fluorophenyl)methyl]benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2 GQQ ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide +c1ccc2c(c1)CC[C@@H]2N GQR (1~{s})-2,3-dihydro-1~{h}-inden-1-amine +Cc1nnc(s1)Nc2cccc(c2)F GQS n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQT (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O GQU (3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CN1C=CC=C(C1=O)O GQV 1-methyl-3-oxidanyl-pyridin-2-one +c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO GQW ~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide +COc1cc(ccc1N)N2CCOCC2 GQY 2-methoxy-4-morpholin-4-yl-aniline +c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO GQZ ~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide +CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C GR0 geranylgeranyl monophosphate +CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O GR1 6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid +CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O GR2 (3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C GR3 3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C GR4 r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR5 (2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR6 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate +COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR8 (2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N GR9 3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O GRA glutaryl-coenzyme a +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O GRB 8-bromoguanosine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GRC 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3 GRD benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate +c1cc(c(c(c1)O)C(=O)O)O GRE 2,6-dihydroxybenzoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O GRF 5-o-phosphono-beta-d-ribofuranosylamine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C GRG geranylgeranyl diphosphate +C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl GRH (2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide +COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O GRI 6-formyl-9-methoxyphenazine-1-carboxylic acid +COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO GRK 4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO GRL (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5 GRM n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +C[C@@](c1ccccc1)(C(=O)O)N GRN 2-phenyl-l-alanine +C[C@H](c1ccccc1)C(=O)O GRO r-2-phenyl-proprionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O GRP [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC(=CCC/C(=C/C=O)/C)C GRQ geranaldehyde +CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O GRR (2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid +CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GRT (2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +Cc1c(n2ccccc2n1)C(=O)NCC(C)C GRV 2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide +C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O GRW (2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O GRX (1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol +Cc1cc(nc(n1)Nc2ccc(cc2)N)C GRY ~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine +c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F GRZ 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N GS guanosine-5'-thio-monophosphate +CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C GS0 bacteriochlorophyll a isomer +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O GS1 1-thio-beta-d-glucopyranose +CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC GS2 2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide +CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F GS3 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GS4 4-thio-beta-d-glucopyranose +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl GS5 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl GS6 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C GS7 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GS8 s-hydroxy-glutathione +c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O GS9 naphthalen-2-yl 1-thio-beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O GSA o4-sulfonylgalactose +c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSB s-benzyl-glutathione +CCS[C@@H](C(=O)O)N GSC 2-ethylthio glycine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GSD 4-thio-d-glucose +C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O GSE l-alpha-glycerophosphorylserine +C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSF l-gamma-glutamyl-3-sulfino-l-alanylglycine +CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C GSG 1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSH glutathione +CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSI 2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide +CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl GSJ 1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)- +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl GSK 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O GSL (2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid +CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSM l-gamma-glutamyl-s-methylcysteinylglycine +C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N GSN 2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate +c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O GSO l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N GSP 5'-guanosine-diphosphate-monothiophosphate +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl GSQ 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide +c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSR 2'-deoxy-n2-(r)styrene oxide guanosine monophosphate +c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSS 2'-deoxy-n2-(s)styrene oxide guanosine monophosphate +CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C GST geranyl s-thiolodiphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N GSU o5'-(l-glutamyl-sulfamoyl)-adenosine +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSV 2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N GSW d-gamma-glutamyl-l-cysteinylglycine +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl GSX 5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide +C(CO)n1c2c(nc1S)N=C(NC2=O)N GSY 7-(2-hydroxyethyl)-8-mercaptoguanine +CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 GSZ n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide +Cc1c(c(c(cn1)CO)COC)O GT0 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)COC)O GT1 [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl GT2 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O GT3 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide +COCC(=O)Nc1ccc(cc1)O GT4 ~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN GT5 ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC GT6 (2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] +C1CCC(CC1)NC(=O)CC#N GT7 2-cyano-~{n}-cyclohexyl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GT8 (2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCCCSC[C@@H](C(=O)O)N GT9 s-nonyl-cysteine +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O GTA p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTB s-(p-nitrobenzyl)glutathione +C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O GTC (1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid +C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTD 1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene +[OH] GTE glucose 4-o4 group +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F GTF 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O GTG 7-methyl-guanosine-5'-triphosphate-5'-guanosine +C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C GTH 3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside] +c1ccc(cc1)c2nc(sn2)N3CCNCC3 GTI 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine +CCCn1c2ccccc2nc1NC(=O)CC GTJ ~{n}-(1-propylbenzimidazol-2-yl)propanamide +[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O GTK beta-d-galactofuranuronic acid +C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O GTL (2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O GTM methyl 4-thio-beta-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GTN phosphoaminophosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GTO phosphomethylphosphonic acid-guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GTP guanosine-5'-triphosphate +c1cc(c(cc1O)C(=O)O)O GTQ 2,5-dihydroxybenzoic acid +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O GTR beta-d-galactopyranuronic acid +C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GTS glutathione sulfonic acid +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] GTT glutathione +CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N GTU n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C GTV [(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN GTW ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] GTX s-hexylglutathione +CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GTY l-gamma-glutamyl-s-octyl-d-cysteinylglycine +C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O GTZ (5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] GU0 2,3,6-tri-o-sulfonato-beta-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU1 2,3-di-o-methyl-beta-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU2 2,3-di-o-methyl-alpha-l-idopyranuronic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O GU3 methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O GU4 2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O GU5 2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O GU6 2,3,6-tri-o-sulfo-alpha-d-glucopyranose +c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N GU7 2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O GU8 2,3,6-tri-o-methyl-beta-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O GU9 2,3,6-tri-o-methyl-alpha-d-glucopyranose +C(CC(=O)O)CC(=O)O GUA glutaric acid +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O GUB 9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N GUC n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GUD glucose-uridine-c1,5'-diphosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N GUE 5,10-methenyltetrahydrofolate +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O GUF 2-deoxy-2-fluoro-beta-d-glucopyranuronic acid +CC(C)NC(=O)c1ccc2ccccc2n1 GUG ~{n}-propan-2-ylquinoline-2-carboxamide +O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O GUH mo6 cluster +CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl GUI 5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine +Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4 GUJ 3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine +CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl GUK 6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine +C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O GUL (2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C GUM 4-methyl-umbelliferyl-n-acetyl-chitobiose +c1[nH]c2c(n1)C(=O)NC(=N2)N GUN guanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N GUO [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O GUP alpha-l-gulopyranose +COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3 GUQ 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione +C12C(NC(=O)N1)NC(=O)N2 GUR glycoluril +[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O GUS (e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine +CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O GUT ~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C GUU 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide +Cc1nccc(n1)c2cccc(c2)NC(=O)NC GUV 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea +COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C GUW ~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide +C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-] GUX (1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +CCCn1c(nnn1)NC(=O)c2ccco2 GUY ~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O GUZ 2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F GV0 golvatinib +Cc1c(sc2c1c(ncn2)N(C)C)C GV1 ~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6 GV2 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide +Cc1c(c(n(n1)C)C)NC(=O)CC#N GV4 2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide +CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C GV5 8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N GV6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O GV7 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol +Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C GV8 8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC(=O)Nc1ccsc1C(=O)O GV9 3-(acetylamino)thiophene-2-carboxylic acid +[H]/N=C(/N)\NCCCCC(=O)O GVA 5-{[amino(imino)methyl]amino}pentanoic acid +Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC GVB (3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine +Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O GVC 1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5 GVD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile +COC(=O)CCCN GVE methyl 4-aminobutanoate +c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O GVF benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1c(c[nH]n1)c2ccccc2 GVG 3-methyl-4-phenyl-1h-pyrazole +c1cc2cc[nH]c2nc1 GVH 1h-pyrrolo[2,3-b]pyridine +CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2 GVI n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N GVJ (s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl GVK 6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O GVL o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine +CC(C)(C)C[C@H](CC(=O)O)O GVM (3r)-3-hydroxy-5,5-dimethylhexanoic acid +c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl GVN (2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl GVO (2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl GVP 4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine +c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl GVQ (2r)-2-(4-chlorophenyl)-2-phenylethanamine +c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3 GVR (2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide +CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 GVS ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate +CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO GVT 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol +CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O GVU (2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid +CCC(=O)Nc1ccc(cc1O)C GVV ~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVW (2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GVX l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine +c1cc(ccc1c2nnc(s2)N)O GVY 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVZ (2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C GW0 {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid +Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 GW1 (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone +C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O GW2 (2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N GW3 7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5 GW4 n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide +CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3 GW5 (2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid +C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F GW6 (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate +CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F GW7 n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C GW8 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea +c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] GW9 2-chloro-5-nitro-n-phenylbenzamide +CC(=O)Nc1cccc(c1)NC(=O)COC GWA ~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide +CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3 GWB 4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one +c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2 GWD (3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O GWE n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide +c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F GWF tropifexor +Cn1c2ccccc2c(n1)C(=O)N GWG 1-methylindazole-3-carboxamide +C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C GWH 3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine +CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl GWI n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N GWJ 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide +CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 GWK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N GWL 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide +Cc1ccc(cc1)OP(=O)(O)O GWM (4-methylphenyl) dihydrogen phosphate +O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O GWN mo8 cluster +c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O GWO (2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid +c1c(nc([nH]1)C2CC2)C(=O)N GWP 2-cyclopropyl-1~{h}-imidazole-4-carboxamide +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N GWQ ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine) +CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO GWR 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione +c1cc(cnc1)NC(=O)CC2CCCCC2 GWS 2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4 GWT (2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide +CC(C)NCc1ccc(cc1)N(C)C GWV ~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline +O[Mo](O)(O)(O)O GWW pentakis(oxidanyl)molybdenum +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O GWX (2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid +CN(C[C@@H]1CCOC1)c2c(cncn2)Cl GWY 5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine +CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3 GWZ (2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4 GX0 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N GX1 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine +O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O GX2 mo14o47 cluster +CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C GX3 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F GX4 cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone +CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N GX6 n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +C1CCC(CC1)NC2=CNC(=O)NC2=O GX7 5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC GX8 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid +Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F GXA 5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide +CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O GXB sialylated precision glycomacromolecule +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C GXC n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide +c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl GXD 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)[SeH] GXE benzeneselenol +c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F GXG 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC GXH 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O GXJ (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2 GXK 6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O GXL alpha-l-galactopyranose +c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-] GXM (2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid +COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N GXN [2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate +CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C GXO [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate +C([C@@H](C=O)O)C(=O)C(=O)O GXP (4s)-4-hydroxy-2,5-dioxopentanoic acid +C1CC(CCC1NCCCN)NCCCN GXQ n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine +C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C GXR (8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one +C([C@H](C=O)O)C(=O)C(=O)O GXS (4r)-4-hydroxy-2,5-dioxopentanoic acid +C(=O)C=O GXT ethanedial +Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC GXU 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione +C([C@@H](C=O)O)O GXV l-glyceraldehyde +[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXW cu(ii)-substituted wells-dawson +COc1cc(c(cc1Br)OC)N GXY 4-bromo-2,5-dimethoxyaniline +[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXZ ni(ii)-substituted wells-dawson +C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O GY0 methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate +CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C GY3 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione +c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl GY4 2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O GY5 5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O GY6 2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O GY7 2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O GY8 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O GY9 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O GYA 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3 GYB (8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O GYC [(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N GYD n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide +C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O GYE beta-d-fucofuranose +COC(=O)CCS GYF methyl 3-sulfanylpropanoate +[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O GYG (1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C GYI 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3 GYK (8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F GYL n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)O GYM (2r)-2,3-dihydroxypropyl tetradecanoate +C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O GYN gymnodimine a +COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4 GYO ~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O GYP methyl alpha-d-glucopyranoside +c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N GYQ 2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile +Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4 GYR {(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O GYS [(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O GYT bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine +CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C GYU 2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O GYV 2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose +c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5 GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C GYX n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN GYY n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide +C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O GYZ [(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N GZ0 [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +C1CC(=CC(=O)C1)Nc2[nH]nnn2 GZ2 3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one +C/C(=C\P(=O)(O)O)/C(=O)O GZ3 (e)-2-methyl-3-phosphonoacrylate +Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4 GZ4 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N GZ5 (2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +C(=[NH2+])(N)N GZ6 guanidinium +Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O GZ7 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium +C1=CC(=S)C=C(C1C(=O)O)C(=O)O GZ8 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid +Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C GZ9 (2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3 GZA 2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one +c1ccc(cc1)C(=O)NCC(=O)O GZB 2-benzamidoethanoic acid +[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N GZC n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine +C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2 GZD n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N GZE [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N GZF [(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4 GZG 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid +c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N GZH 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC[C@@H](C(=O)O)NC(=O)C GZJ (2s)-2-(acetylamino)butanoic acid +c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl GZK 1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one +C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O GZL beta-d-galactofuranose +CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl GZM 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl GZN 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC GZO methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate +c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O GZP 1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol +CC(=O)N(C)c1ccc(cc1Cl)Cl GZQ ~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide +Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F GZR 1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one +CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F GZT 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide +Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F GZV (2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl GZW 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C GZX (1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)OC GZY 1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one +[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N GZZ n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine +[H+] H etnam h hydrogen atom +C(CC(=O)O)CS H00 4-sulfanylbutanoic acid +Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O H01 protoporphyrin ix 2,4-disulfonic acid +CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C H02 n-methyl protoporphyrin ix 2,4-disulfonic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C H03 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide +CCOc1ccccc1N2CCNCC2 H04 1-(2-ethoxyphenyl)piperazine +CCCc1nc2ccccc2c3n1nc(n3)N H05 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine +[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N H06 (e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide +CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl H07 (2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl H08 2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC H0A 1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl H0B 6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O H0C [(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate +CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl H0D n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea +CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C H0E (10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol +Cc1cccc(c1)CC(=O)Nc2ccon2 H0G 2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4 H0H ~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O H0I 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid +c1ccnc(c1)c2ccc(s2)C(=S)N H0J 5-(pyridin-2-yl)thiophene-2-carbothioamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO H0K 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol +COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F H0L (2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +c1ccnc(c1)NC(=O)Cc2cccc(c2)O H0M 2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide +c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl H0N 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(cc(c1)O)CC(=O)Nc2cccnc2 H0P 2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl H0Q 2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F H0R (2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 H0S n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5 H0T [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N H0U ~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide +c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N H0V 5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8 H0W 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N H0X [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O H0Y 6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid +CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 H0Z bicuculline methochloride +C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O H10 1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea +CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C H11 (5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one +CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H12 6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one +CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO H13 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide +c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O H14 (2s,3r)-beta-hydroxy-phenylalanine +CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO H15 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3 H16 6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one +C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H17 2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3 H18 6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one +c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+] H19 huprine 19 +CCC(CC)C(=O)Nc1ccccc1O H1A 2-ethyl-n-(2-hydroxyphenyl)butanamide +CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F H1B n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC H1C methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate +C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N H1D (2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3 H1F 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide +COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3 H1G 2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide +C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C H1H 5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid +C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5 H1I n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide +c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F H1J n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide +COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC H1K 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl H1L (2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO H1M methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside +CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5 H1N n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide +Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC H1O 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole +c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O H1P 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one +c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N H1Q adenosine divanadate +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F H1R (2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-] H1S heparin disaccharide i-s +O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O] H1T [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium +c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4 H1U n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C H1V n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +O[V](O)(O)(O)O H1W pentakis(oxidanyl)vanadium +Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C H1X 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H1Y n-(3-chlorophenyl)-2-phenylacetamide +CCCCOc1ccc(cc1)S(=O)(=O)N H1Z 4-butoxybenzenesulfonamide +CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H20 6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl H21 5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl H22 5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide +CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O H23 (1-hydroxydodecane-1,1-diyl)bis(phosphonic acid) +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC H24 (6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl H25 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide +c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O H26 {2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 H27 (2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 H28 (3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione +c1cc(ncc1N)N2CCc3c(ccs3)C2 H29 6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine +CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] H2A (6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate +C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O H2B 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one +c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F H2C 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one +CC[C@H](c1ccccc1)C(=O)Nc2ccon2 H2D (2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide +C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6 H2E 2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one +Cc1ccc(s1)CNC[C@H](C)O H2G (2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C H2H (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H2J n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide +c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3 H2K 1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea +c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 H2L 1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea +c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O H2M 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one +C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C H2N (2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O H2P 1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C H2Q (2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4 H2R n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide +S H2S hydrosulfuric acid +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O H2U 5,6-dihydrouridine-5'-monophosphate +CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O H2V s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate +c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl H2W 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one +C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC H2X 4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol +COc1ccc(cc1)CC(=O)Nc2cccnc2 H2Y 2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide +C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C H2Z (2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide +CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N H30 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine +Cc1ccc(cc1)c2ccccc2N3CCCC3=O H31 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O H32 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C H33 8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO H34 (1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol +c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 H35 n-(furan-2-ylmethyl)-7h-purin-6-amine +[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H36 n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N H37 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide +[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H38 n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3 H39 5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid +COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl H3A n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide +C[Si](C)(C)CCCS(=O)(=O)O H3B 3-trimethylsilylpropane-1-sulfonic acid +C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N H3C n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3 H3D n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5 H3E 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine +Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC H3F tafenoquine +CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 H3G (4-tert-butylpiperidin-1-yl)(phenyl)methanone +CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C H3H 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine +CC1=C(C(=O)C=C1)Oc2cccnc2 H3J 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one +c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O H3K 1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea +C[C@@H](c1ncnn1C)N H3L (1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine +CC1=C[C@@H](OC1=O)O H3M (5r)-5-hydroxy-3-methylfuran-2(5h)-one +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5 H3N 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine +c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl H3P 2,2'-methanediylbis(3,4,6-trichlorophenol) +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5 H3Q 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine +Cc1cc([nH]n1)c2ccccc2 H3R 5-methyl-3-phenyl-1h-pyrazole +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-] H3S heparin disaccharide iii-s +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC H3T phospholipid pg(16:0/cy17:0) +Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O H3U 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid +c1ccc(cc1)CC(=O)Nc2ccon2 H3V n-(1,2-oxazol-3-yl)-2-phenylacetamide +CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O H3W bisphenol-b +C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C H3X methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate +c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O H3Y (3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +CC(C)c1ccc(cc1)O H3Z 4-propan-2-ylphenol +CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO H41 n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1cc2c(cc1O)CCCC2 H42 5,6,7,8-tetrahydronaphthalen-2-ol +C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O H43 2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4 H44 n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4 H45 n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5 H46 ~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide +COc1cccc(c1)CC(=O)Nc2ccon2 H47 2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide +CC(c1ccc(cc1)O)c2ccc(cc2)O H48 4-[1-(4-hydroxyphenyl)ethyl]phenol +c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3 H49 (s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide +c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O H4A (3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O H4B 5,6,7,8-tetrahydrobiopterin +CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C H4C 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O H4D 3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid +CCOC(=O)c1ccc(c(c1)Br)N H4E ethyl 4-azanyl-3-bromanyl-benzoate +c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F H4G 2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide +c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N H4H (1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide +c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N H4K 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O H4L 3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol +C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C H4M 5,10-dimethylene tetrahydromethanopterin +c1cc2c(cc[nH]2)cc1Br H4N 5-bromanyl-1~{h}-indole +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O H4O 5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O H4P 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol +CC[C@@H](C)c1ccc(cc1)O H4Q 4-[(2~{r})-butan-2-yl]phenol +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O H4R 4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O H4S n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide +c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl H4T 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3 H4U 6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine +COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I H4V methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F H4W 6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C H4X (6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene +COc1ccc(cc1)c2ccccc2N3CCCC3=O H4Y 1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O H4Z 5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol +c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl H50 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid +Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C H52 (s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine +c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O H53 (1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol +Cc1cccc(c1)CC(=O)Nc2cccnc2 H54 2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N H55 3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide +c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O H56 (3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one +CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H57 (3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene +CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H58 (3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene +CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O H59 n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +COc1cc(cc(c1OC)OC)C(=O)O H5A 3,4,5-trimethoxybenzoic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)Br H5B 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid +CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O H5C 9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H5D 2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O H5E 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N H5F 6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one +c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl H5G n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O H5H (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc2c(cc1N(=O)=O)cno2 H5J 5-nitro-1,2-benzoxazole +c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O H5K 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O H5L s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate +C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O H5M trans-3-hydroxy-5-methylproline +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O H5N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F H5O (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O H5P hydantocidin-5'-phosphate +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O H5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H5R 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C H5S (5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O H5T (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O H5U n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide +C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O H5V 7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F H5W 6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O H5Y 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O H5Z (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H60 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O H61 2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid +C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N H62 (1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H63 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4 H64 8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine +Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C H65 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine +CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1 H66 2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide +C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5 H67 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC H68 tetrahydrocolumbamine +c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl H69 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5 H6A 2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid +CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O H6B (1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N H6D 4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile +C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3 H6E 2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2 H6F ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide +C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6G n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine +CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N H6H ~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide +C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6J n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N H6K 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] H6L ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide +c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O H6M n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1cc(c(cc1C=O)O)O H6N protocatechuic aldehyde +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O H6O (2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO H6P (2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O H6Q 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose +C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H6R (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide +CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6S 2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6T 2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O H6U 2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide +c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H6V 2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4 H6W ~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC H6X 5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N H6Y 8-oxo-adenosine-5'-triphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O H6Z 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl H70 2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 H71 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N H72 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C H73 5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine +C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H74 2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(ccc1N2C=C3CCCCN3C2=O)Br H75 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one +C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O H76 (2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol +CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H77 2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O H78 [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O H79 [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron +Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O H7A 4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC H7B 2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4 H7C 2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine +C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2 H7D (1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC H7E [1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4 H7F [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol +c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O H7G (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid +C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2 H7J n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide +COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O H7K methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4 H7L [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol +Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl H7M 3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide +CCCCCC[P@@](=O)(O)OCCCC H7N butoxy(hexyl)phosphinic acid +COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5 H7O 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl H7P (2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide +c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N H7Q 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine +COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 H7R 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline +c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O H7S (3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C H7T 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone +CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H7U 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine +CN[C@@H](CC1CCCCC1)C(=O)O H7V 3-cyclohexyl-n-methyl-l-alanine +C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7W (1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4 H7X 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid +C/C=C/c1ccc(c(c1)OC)O H7Y isoeugenol +C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7Z (1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4 H80 [2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F H82 3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN H83 ~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N H84 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F H86 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium +Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C H88 ~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide +c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H89 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N H8A 3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile +CNCc1ccccc1OCc2ccc3ccc(nc3c2)N H8B 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5 H8C 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8D (8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide +CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3 H8E benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate +CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C H8F 2-(aminomethyl)-3,5-ditert-butyl-phenol +CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8G n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea +CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl H8H n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C H8J (8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide +c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5 H8K trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol +Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC H8L o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate +Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC H8M (1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +c1cc(ccc1C#N)O H8N 4-hydroxybenzonitrile +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O H8O (s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol +CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C H8Q ~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide +CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O H8R (2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3 H8S n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C H8T (10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone +C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O H8U paraherquamide a +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4 H8V (2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide +CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O H8W 3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid +CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O H8X n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N H8Z 1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one +c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H90 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl H91 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one +c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N H92 4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N H93 2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one +c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F H94 6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile +C[C@H](CC[C@H](C)O)O H95 (2~{s},5~{r})-hexane-2,5-diol +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4 H96 [2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O H97 (1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O H98 ~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4 H99 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +CCP(=O)(O)OC(C)C H9A propan-2-yl hydrogen (r)-ethylphosphonate +CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N H9B (2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide +c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8 H9C bis(1,10-phenanthroline)platinum(ii) +[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O H9E [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO H9F 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5 H9G (3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N H9H 1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide +CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O H9I 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O H9J 2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O H9K 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3 H9M (2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide +B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O H9O 2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4 H9P n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O H9R 2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4 H9S (2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O H9T (1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C H9U (2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid +c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF H9V (2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F H9Y 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C H9Z 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide +CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O HA0 heteroarylalanine 5-phenyl oxazole +c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N HA1 9-(5,5-difluoro-5-phosphonopentyl)guanine +c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N HA2 6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid) +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO HA3 n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide +C1c2c(onc2O)CN[C@H]1C(=O)O HA5 (5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid +c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3 HA6 2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one +C1CN[C@@H](c2c1c(no2)O)C(=O)O HA7 (7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid +C=CC\C=N\c1c2c(nc[nH]2)ncn1 HA8 n6-(buta-2,3-dienyl)adenine +c1cc(c(cc1CC(=O)O)O)O HAA 2-(3,4-dihydroxyphenyl)acetic acid +c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O HAB 2-((4'-hydroxyphenyl)-azo)benzoic acid +C1CCC(CC1)C[C@@H](C(=O)O)N HAC beta-cyclohexyl-alanine +C(C(=O)O)N(C(=O)O)O HAD (carboxyhydroxyamino)ethanoic acid +CC(=O)NO HAE acetohydroxamic acid +CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4 HAF tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N HAG 4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol +c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O HAH (1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +C1CCC(CC1)[NH3+] HAI cyclohexylammonium ion +c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N HAJ 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6 HAK 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide +c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O HAL n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine +c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+] HAM histidyl-adenosine monophosphate +Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O HAN 2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid +COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O HAO {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC HAP (n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine +c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O HAQ 5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid +C(C[C@@H](C(=O)O)N)CNC(=N)NO HAR n-omega-hydroxy-l-arginine +Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C HAS heme-as +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C HAT 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C HAU 1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide +CC(C)[C@H](C(=O)NO)N HAV hydroxyaminovaline +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6 HAW 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O HAX n-hydroxyamidocarboxymethyldethia coenzyme *a +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HAY (2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-] HAZ 4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid +C1CC(CCC1CO)O HB0 trans-4-(hydroxymethyl)cyclohexanol +c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O HB1 ruthenium-pyridocarbazole-1 +CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N HB2 1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol +c1nc([nH]n1)SCCN HB3 2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine +c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N HB4 n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N HB5 (2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide +CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3 HB7 n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide +[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O HB8 [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO HB9 ~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide +c1cc(ccc1C=O)O HBA p-hydroxybenzaldehyde +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3 HBB n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide +c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N HBC (2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone +c1cc(ccc1C(=O)N)O HBD 4-hydroxybenzamide +C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O HBE (2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2 HBF ferrocene homobiotin derivative +Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C HBG n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3 HBH 2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBI 7,8-dihydrobiopterin +Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C HBJ 4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide +COc1ccc2c(c1)O[C@@H](C(=O)N2O)O HBK (2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBL 7,8-dihydro-l-biopterin +CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O HBM 2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide +c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N HBN n-(2-naphthyl)histidinamide +COc1ccc2c(c1)O[C@H](C(=O)N2O)O HBO 2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one +c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O HBP 1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime +CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F HBQ isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate +C[C@H](C(=O)C)O HBR r,3-hydroxybutan-2-one +C[C@@H](C(=O)C)O HBS s,3-hydroxybutan-2-one +C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1 HBT (6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[P@](=O)(CC(=O)CC(=O)O)O HBU 4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid +CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3 HBV 3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide +CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl HBW (2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide +c1ccc(cc1)C=O HBX benzaldehyde +CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC HBY (s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O HBZ n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O HC0 2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2] HC1 2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster +CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HC2 20-hydroxycholesterol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C HC3 25-hydroxycholesterol +c1cc(ccc1\C=C\C(=O)O)O HC4 4'-hydroxycinnamic acid +CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C HC5 (r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C HC6 (2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C HC7 (2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium +CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC HC8 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O HC9 (3alpha,8alpha,22r)-cholest-5-ene-3,22-diol +C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O HCA 3-hydroxy-3-carboxy-adipic acid +CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO HCB 5-hydroxybenzimidazolylcobamide +c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O HCC 2',4,4'-trihydroxychalcone +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HCD (3alpha,8alpha)-cholest-5-ene-3,20-diol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N HCE {(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O HCG delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine +[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O HCH (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide +c1ccc(cc1)CCC(=O)O HCI hydrocinnamic acid +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3 HCJ (2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one +COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O HCK 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid +c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O HCL (2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid +CSSCC[C@@H](C(=O)O)N HCM (2s)-2-amino-4-(methyldisulfanyl)butanoic acid +C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N HCN 2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O HCO 2-acetyl-protoporphyrin ix +Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O HCP 1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid +[B-](c1cc2cc(ccc2s1)CN)(O)(O)O HCQ [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C HCR 7-hydroxycholesterol +C(CS)[C@@H](C(=O)O)N HCS 2-amino-4-mercapto-butyric acid +C(CC(=O)O)[C@H](CC(=O)O)C(=O)O HCT (2r)-butane-1,2,4-tricarboxylic acid +c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N HCU [(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N HCV n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine +C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C HCW 1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea +C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O HCX (south) bicyclo[3.1.0]hexane +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 HCZ 6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HD1 6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide +c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O HD2 4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD3 2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O HD4 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol +B(c1cc2cc(ccc2s1)CN)(O)O HD5 [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid +CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HD6 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD9 (2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C(C(=O)O)N(C=O)O HDA hadacidin +[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO HDB (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine +CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O HDC 3r-hydroxydecanoyl-coenzyme a +Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O HDD cis-heme d hydroxychlorin gamma-spirolactone +CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C HDE cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O HDF 8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine +COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N HDG (2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) +c1cc(ccc1C(=O)NN)O HDH 4-oxidanylbenzohydrazide +COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O HDI 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester +Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F HDJ (2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O HDL d-arabinohydroxamic acid +Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC HDM dimethyl propionate ester heme +CN=N HDN methylhydrazine +CCCCCCCCC(=O)CCCO HDO 1-hydroxydodecan-4-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O HDP [(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O HDQ 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +CCCCCCCCCCCCCCCC[S@](=O)O HDR hexadecane-1-sulfinic acid +CCCCCCCCCCCCCCCCS(=O)(=O)O HDS 1-hexadecanosulfonic acid +c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N HDT 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide +Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C HDU n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide +Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N HDV 9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine +C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O HDW (2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid +C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O HDX ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid +Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O HDY 1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +N#N HDZ nitrogen molecule +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C HE0 (2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O HE1 4-(2-hydroxyphenylthio)-1-butenylphosphonic acid +CCCCCCO HE2 hexan-1-ol +Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O HE3 2-hydroxyethyl dihydrothiachrome diphosphate +CCCCCCCO HE4 heptan-1-ol +Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C HE5 zinc(ii)-deuteroporphyrin dimethylester +Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C HE6 6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O HE7 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid +[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O HE8 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +COC(=O)c1ccc(c(c1)O)O HE9 methyl 3,4-bis(oxidanyl)benzoate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C HEA heme-a +CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C HEB heme b/c +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HEC heme c +C(CSSCCO)O HED 2-hydroxyethyl disulfide +CCCCCC[P@](=O)(O)OCC HEE n-hexylphosphonate ethyl ester +CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2 HEF 1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C HEG protoporphyrin ix containing mg +Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O HEH hedamycin +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O HEI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N HEJ 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine +CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O HEK 3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C HEL (2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O HEM protoporphyrin ix containing fe +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O HEN 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O HEO heme o +CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1 HEP phenyl[1-(n-succinylamino)pentyl]phosphonate +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C HEQ 3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone +COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O HER 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HES zinc substituted heme c +CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O HET 3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O HEU 3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate +CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O HEV 5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex +c1cnc(cc1Br)N HEW 4-bromanylpyridin-2-amine +CCCCCC HEX hexane +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O HEY (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid +C(CCCO)CCO HEZ hexane-1,6-diol +COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O HF0 (2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one +c1cc(c(cc1F)SCCC=CP(=O)(O)O)O HF1 4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid +c1ccc(cc1)C[C@H](C(=O)O)O HF2 (2r)-2-hydroxy-3-phenylpropanoic acid +O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O HF3 smallest hf-oxo-phosphate cluster hf3 +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O HF4 4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O HF5 hf oxo cluster hf5 +COC(=O)/C=C/c1ccc(cc1)O HF6 methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate +Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N HF7 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O HF8 [(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +COC(=O)c1ccc(cc1O)O HF9 methyl 2,4-bis(oxidanyl)benzoate +c1ccc(cc1)C[C@@H](C(=O)O)O HFA alpha-hydroxy-beta-phenyl-propionic acid +c1(c(c(c(c(c1F)F)F)F)F)F HFB hexafluorobenzene +c1c2c(cc(c1O)O)OC(=O)C=C2 HFC 6,7-bis(oxidanyl)chromen-2-one +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N HFD 2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine +c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O HFG 7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C HFH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O HFK 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one +COc1cc(cc(c1O)O)\C=C\C(O)O HFL 5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O HFM 2-formyl-protoporphryn ix +Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 HFN 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one +CC(=O)c1ccc(c(c1)O)O HFO 1-[3,4-bis(oxidanyl)phenyl]ethanone +CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O HFP alpha-hydroxyfarnesylphosphonic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O HFQ 2,4-dihydroxyphenacyl coenzyme a +c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HFR [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate +c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3 HFS 1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine +CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O HFT hydroxyflutamide +Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6 HFU 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O HFV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline + HFW dawson-type polyoxometalate +CS(=O)c1c2c(c(s1)Cl)CCCC2=O HFX 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one +c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl HFY 8-{[(2-chlorophenyl)methyl]amino}adenosine +c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F HFZ 6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +[Hg+2] HG mercury (ii) ion +CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N HG0 n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide +C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O HG1 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol +Br[Hg]Br HG2 dibromomercury +C([C@H](C(O)O)O)OP(=O)(O)O HG3 [(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N HG4 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide} +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG5 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one +c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O HG6 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid +CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N HG7 (2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG8 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one +CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O HG9 1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol +C(CC(=O)NO)[C@@H](C(=O)O)N HGA glutamine hydroxamate +c1cc(ccc1C(=O)O)[Hg]O HGB 4-(hydroxymercury)benzoic acid +C[Hg+] HGC methyl mercury ion +C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N HGD mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine) +CCOC(=O)C1CCN(CC1)c2cnccn2 HGE ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate +COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2 HGF 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O HGG (3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O HGH 2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid +I[Hg]I HGI mercury (ii) iodide +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N HGJ 2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide +c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2 HGK 2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid +c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N HGL (2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid +CN[C@H](c1ccc(cc1)O)C(=O)O HGM (2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid +[Hg][Hg] HGN mercuriomercury +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC HGP (1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline +C1=CNC(=O)C=C1Br HGQ 4-bromanyl-1~{h}-pyridin-2-one +C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O HGR hygromycin a +C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N HGS d-gamma-glutamyl-l-cysteinyl-beta-alanine +C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N HGT (2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol +C(=N)(N)NO HGU n-hydroxyguanidine +C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O HGV 2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine +c1c(cncn1)I HGW 5-iodanylpyrimidine +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C HGX 1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline +[C@H](C(=O)O)(N)O HGY (2s)-amino(hydroxy)ethanoic acid +CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC HGZ 6,7,8-trimethoxy-4-methylquinolin-2(1h)-one +C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O HH0 methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 HH1 (3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O HH2 6-hydroxymethylpterin-diphosphate +c1ccc(cc1)C(=O)N[C@H](C(=O)O)O HH3 (2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid +CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O HH4 4-(4-tert-butylphenyl)-4-oxobutanoic acid +c1[nH]c2c(n1)nc(nc2I)N HH5 6-iodanyl-7~{h}-purin-2-amine +c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O HH6 3-(4-hydroxyphenyl)-1h-indazol-6-ol +c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2 HH7 n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine +c1cc2c(ccnc2nc1)Br HH8 4-bromanyl-1,8-naphthyridine +c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O HH9 4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid +C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O HHA (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid +c1cc(cc(c1)Nc2ccncn2)CC(=O)O HHB 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid +c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O HHC ~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide +C(C[C@@H](CC(=O)O)O)CC(=O)O HHD (3s)-3-hydroxyheptanedioic acid +CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HHE (2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide +c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O HHF 3,7-dihydroxy-2-phenyl-4h-chromen-4-one +CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O HHG (2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate +c1cc(ccc1[C@@H](C(=O)O)O)O HHH (2s)-hydroxy(4-hydroxyphenyl)ethanoic acid +[H]/N=C(/Cc1cnc[nH]1)\C(=O)O HHI (2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O HHJ 5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine +C(CCCN)CC[C@@H](C(=O)O)N HHK (2s)-2,8-diaminooctanoic acid +Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F HHL n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide +c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3 HHM n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide +c1c(cncn1)Br HHN 5-bromanylpyrimidine +C(CCCCO)CCCNCO HHO 1-(hydroxymethyleneamino)-8-hydroxy-octane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO HHP 6-hydroxymethyl-7,8-dihydropterin +C1C(=CC=NC1=O)I HHQ 4-iodanyl-3~{h}-pyridin-2-one +c1c(nc2c(n1)N=C(NC2=O)N)CO HHR 6-hydroxymethylpterin +c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O HHS 6-carboxypterin +COc1cc(ccc1CC(=O)O)Br HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid +c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N HHV 5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O HHW (~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid +c1ccc(cc1)c2nnc(o2)CCC(=O)O HHY 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO HHZ [[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl HI0 (r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC HI1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F HI3 n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O HI4 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC HI5 2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate +c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N HI6 4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO HI9 (2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol +c1c([nH]cn1)C[C@@H](C(=O)N)N HIA l-histidine amide +Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O HIB 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N HIC 4-methyl-histidine +c1cc2c(cc1O)c(c[nH]2)CC(=O)O HID (5-hydroxy-1h-indol-3-yl)acetic acid +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C HIE 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide +CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C HIF fe(iii)-(4-mesoporphyrinone) +CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C HIG 2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine +C[C@@H](Cc1csc(n1)N)C=O HII 2-methyl-3-(2-aminothiazolo)propanal +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO HIK 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C HIN (2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone +CC(C)N(C(=O)C(=O)O)O HIO n-hydroxy-n-isopropyloxamic acid +c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N HIP nd1-phosphonohistidine +c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N HIQ 1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2 l-histidine c-terminal deprotonated fragment +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H l-histidine c-terminal protonated fragment +c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHD1 l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHE2 l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2 +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHD1 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHE2 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS_LFOH l-histidine free neutral +c1c(nc[nH]1)C[C@@H](C(=O)O)N HIS_LFOH_DHD1 l-histidine-free neutral/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N HIS_LFOH_DHE2 l-histidine-free neutral/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW l-histidine free zwitterion +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHD1 l-histidine-free zwitterion/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHE2 l-histidine-free zwitterion/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL l-histidine - linking embedded fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHD1 l-histidine-linking embedded fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHE2 l-histidine-linking embedded fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3 l-histidine n-terminal protonated fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHD1 l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHE2 l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2 +CC(C)C(C(=O)[C@H](C)C(=O)O)O HIT 2-(alpha-hydroxyisovaleryl) propionic acid +C[C@H](CO)C(=O)O HIU (2r)-3-hydroxy-2-methylpropanoic acid +[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O HIW (2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid +c1c([nH]nn1)C[C@@H](C(=O)O)N HIX 3-(1h-1,2,3-triazol-5-yl)-l-alanine +c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N HIZ 1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea +Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C HJ0 4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide +c1cc(c(cc1CCNC(=O)CCN)O)O HJ1 n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O HJ2 (2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C HJ3 (2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C HJ4 (8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name) +C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+] HJ5 [(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium +C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O HJ7 (2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid +CCn1c(c(nn1)O)C[C@@H](C(=O)O)N HJ8 (2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O HJ9 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid +C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S HJA (2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid +[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O HJB 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid +c1c([nH]cn1)CCNC(=O)CCN HJD n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide +CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C HJF 5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine +CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O HJG 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol +Cn1nc(c(n1)O)C[C@@H](C(=O)O)N HJH (2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O HJI (2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C HJJ 4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O HJK 2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N HJL [(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC HJM (5beta)-12-methoxyibogamine +Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O HJN [(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N HJO n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide +CC1=CC(=O)C(=C(O1)C(=O)O)O HJP 3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C HJQ (2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine +C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O HJR n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C(CS(=O)(=O)O)[C@@H](C(=O)O)N HJT (2~{s})-2-azanyl-4-sulfo-butanoic acid +CN[C@H](CCC(=O)N)C(=O)O HJV n~2~-methyl-d-glutamine +CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 HJW ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate +CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O HJX 2-hydroxy-6-(tetradecyloxy)benzoic acid +CN[C@H](Cc1ccc(cc1)I)C(=O)O HJY 4-iodo-n-methyl-d-phenylalanine +CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4 HJZ 3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid +COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O HK0 3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2 HK1 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol +c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O HK2 (1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate +COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O HK3 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol +COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC HK4 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol +COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N HK5 4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl HK6 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N HK7 2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide +c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl HK8 (3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid +COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O HK9 2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid +COc1cc(ccc1Oc2ccccc2)C(=O)O HKA 3-methoxy-4-phenoxybenzoic acid +CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O HKB ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide +COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2 HKC 6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole +CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O HKD 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid +C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2 HKE propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate +Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5 HKG 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4 HKH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide +CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 HKI n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5 HKJ n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine +CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 HKK ~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide +CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C HKL fe(iii) pyropheophorbide-a methyl ester +Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N HKM 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile +Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4 HKN ~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide +CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O HKO n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide +CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl HKP (7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one +c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3 HKQ ~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide +CCCn1ccnc1C(=O)O HKR 1-propylimidazole-2-carboxylic acid +c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N HKS 3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine +CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F HKT 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine +CC(C)n1ccnc1C(=O)O HKU 1-propan-2-ylimidazole-2-carboxylic acid +C(CC(=O)O)C(=O)C=O HKV 4,5-dioxopentanoic acid +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C HKW 6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3 HKX n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide +c1cc2c(cc1C(=O)O)CCNC2 HKY 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid +Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4 HKZ 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole +CCCCCCCCCC(=O)N[C@H]1CCOC1=O HL0 n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N HL1 (2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine +CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid +CC[C@@H](C)n1ccnc1C(=O)O HL3 1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid +CCCC(=O)N[C@H]1CCOC1=O HL4 n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C[C@H](C[C@@H](C(=O)O)N)CO HL5 (2s,4r)-5-hydroxyleucine +CCCCCC(=O)N[C@H]1CCOC1=O HL6 n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7 HL7 (1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate +Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F HL8 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid +c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 HL9 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O HLA 1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol +CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C HLB 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide +c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl HLC 4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C1=C(OC(=CC1=O)C(=O)O)C(=O)O HLD 4-oxo-4h-pyran-2,6-dicarboxylic acid +CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O HLE 3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide +C=CCCn1ccnc1C(=O)O HLF 1-but-3-enylimidazole-2-carboxylic acid +CC(=O)NCCCNCCCCN HLG n-{3-[(4-aminobutyl)amino]propyl}acetamide +CCCCCCCC1=CC(=O)c2ccccc2N1 HLH 2-heptyl-1~{h}-quinolin-4-one +CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1 HLI (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C HLJ n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide +c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F HLK ~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1cn(c(n1)C(=O)O)CCn2ccnn2 HLL 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid +C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3 HLM n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide +CCCCCCP(=O)(O)Oc1ccc2ccccc2c1 HLN hexyl(naphthalen-2-yloxy)phosphinic acid +c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O HLO 1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium +c1cc(oc1Cn2ccnc2)C(=O)O HLP 5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid +c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F HLQ ~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1ccc2c(c1)c(no2)N HLR 1,2-benzoxazol-3-amine +COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F HLS 3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide +[C@@H](C(F)(F)F)(Cl)Br HLT 2-bromo-2-chloro-1,1,1-trifluoroethane +CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU beta-hydroxyleucine +c1ccc2c(c1)c3cc(ccc3o2)OCCN HLV 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine +c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3 HLW 3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +CC(C)CC[C@@H](C(=O)O)N HLX 5-methyl-l-norleucine +C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O HLY (3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +c1ccc2c(c1)cnnc2NN HLZ 1-hydrazinophthalazine +c1cn(c(n1)C(=O)O)C2CCC2 HM0 1-cyclobutylimidazole-2-carboxylic acid +Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl HM2 5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine +c1cnc(cc1Cl)CO HM3 (4-chloropyridin-2-yl)methanol +CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2 HM4 tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate +CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2 HM5 3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide +c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO HM6 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O HM7 3-methylthioethane-pyrazinedione +C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O HM8 2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid +C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N HM9 6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid +C[C@@H](C(=O)NO)N HMA hydroxyaminoalanine +COC(CCC(=O)O)O HMB (4s)-4-hydroxy-4-methoxybutanoic acid +C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO HMC 5-hydroxymethyl-chonduritol +C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br HMD 4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HME porphycene containing fe +c1ccc(cc1)CC[C@H](C(=O)O)N HMF 2-amino-4-phenyl-butyric acid +C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HMG 3-hydroxy-3-methylglutaryl-coenzyme a +Cc1ncc(c(n1)N)CO HMH 4-amino-5-hydroxymethyl-2-methylpyrimidine +CC(C)C[C@H](C(=O)NO)C(=O)O HMI 2-hydroxycarbamoyl-4-methyl-pentanoic acid +CN(C)CCOc1ccc2c(c1)c3ccccc3o2 HMJ 2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine +c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O HMK (6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol +c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F HML 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid +CN1C(=O)N2CC=C[C@H](N2C1=O)CO HMM 5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O HMN 2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid +COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O HMO 4'-hydroxy-7-methoxyisoflavone +CC(C)C[C@H](C(=O)NO)C(=O)O HMP 1-hydroxyamine-2-isobutylmalonic acid +C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO HMQ 2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid +C(C[C@@H](CC(=O)O)N)CNC(=N)N HMR beta-homoarginine +C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O HMS 5-o-phosphono-l-ribulose +CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O HMT (3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine +C1=C(C(=O)NC(=O)N1)CO HMU 5-hydroxymethyl uracil +CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2 HMV 2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HMW 3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl HMX 3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide +C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O HMY (1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione +COc1ccc(c(c1)O)C(=O)CCC(=O)O HMZ 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid +CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 HN0 2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) +CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O HN1 (6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN2 1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN3 1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN4 1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN5 (1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN6 (1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN7 1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5 HN8 haemanthamine +c1cc(ccc1Cn2ccnc2C(=O)O)O HN9 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O HNA 1,8-di-hydroxy-4-nitro-anthraquinone +CCCCC[C@@H]1CC[C@H](O1)O HNB (2s,5r)-5-pentyltetrahydrofuran-2-ol +CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O HNC s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine +CCCCC[C@@H](CCCO)O HND (4s)-nonane-1,4-diol +CCCCC[C@H](C=CC=O)O HNE (2e,4r)-4-hydroxynon-2-enal +c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O HNF 7-nitro-9h-fluoren-2-ol +c1c(c2c([nH]1)NC(=NC2=O)N)CN HNG 2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CN1CCC=C1c2ccc(nc2)O HNH 5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O HNI protoporphyrin ix containing ni(ii) +c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 HNJ 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione +C[N@]1CCC[C@@H]1c2ccc(nc2)O HNK 5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol +C[N@@]1CCC[C@H]1c2ccc(nc2)O HNL 5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol +CNCCCC(=O)c1ccc(nc1)O HNM 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HNN porphycene containing mn +CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl HNO n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O HNP hydantocidin-5'-monophosphate +c1cc2c(ccc(c2nc1)O)[N+](=O)[O-] HNQ 5-nitroquinolin-8-ol +CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N HNR n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide +Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNS 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO HNT [(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol +COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNV 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside +c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNW 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside +c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HNX (2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNY 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HNZ 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +[Ho] HO holmium atom +c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HO0 (2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HO1 3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid +CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O HO2 (9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +[Ho+3] HO3 holmium (iii) atom +C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HO4 5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO5 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1ccc(cc1)Sc2c(nns2)C(=O)O HO6 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid +c1cc(ccc1[C@H]2CN3CCSC3=N2)Br HO7 (6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole +Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO8 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4 HO9 (2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +NO HOA hydroxyamine +CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C HOB (3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate +CCCCCC[C@@H](C(=O)O)O HOC (2s)-2-hydroxyoctanoic acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HOE 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC HOF methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate +c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O HOG 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +O HOH water +CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC HOJ (5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOK 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C HOL alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate +CC1=C(C(=O)Oc2c1ccc(c2)O)CCO HOM 7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin +C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N HOO (2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid +c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O HOP (1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C HOQ (1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N HOR 4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile +CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C HOS phomopsin a +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOT 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4 HOU 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 HOV ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +c1conc1N HOW 1,2-oxazol-3-amine +c1cc(ccc1C[C@@H](C(=O)O)N)N HOX 4-amino-l-phenylalanine +C(CC(=O)O)[C@@H](CN)N HOZ (4s)-4,5-diaminopentanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N HP0 (3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid +Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP1 ~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP2 hydroxypyrrole-imidazole-pyrrole polyamide +C[C@H](CO)O HP3 2,3-propandiol +[O-][PH2]=O HP4 phosphinate +Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C HP5 peroxidized heme form 2 +CCCCCCC HP6 heptane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O HP7 (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid +c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O HP8 5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine +c1[nH]c2c(n1)N=CNC2=O HPA hypoxanthine +C[C@H]([C@H](Cc1ccccc1)N)O HPB 2-hydroxy-3-amino-4-phenyl butane +CC(=O)[C@H](Cc1ccccc1)N HPC 3-amino-4-phenyl-butan-2-one +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O HPD 1-hydroxy-pentane-3,4-diol-5-phosphate +c1ccc(cc1)CC[C@@H](C(=O)O)N HPE homophenylalanine +c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O HPF 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate +C(CO)CO HPG hydroxypropyloxy group +c1ccc(cc1)C[C@@H](C(O)O)N HPH (2s)-2-amino-3-phenylpropane-1,1-diol +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N HPI n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine +COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4 HPJ 1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one +c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-] HPK (3e)-2,6-dioxo-6-phenylhex-3-enoate +CCCCCCCNC=O HPL heptylformamide +COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5 HPM n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide +CCCCCCC(=O)N HPN heptanamide +CCCCCC(=O)CP(=O)(O)O HPO 2-oxoheptylphosphonic acid +c1cc(ccc1CCC(=O)O)O HPP hydroxyphenyl propionic acid +CC(=O)[C@H](CCc1ccccc1)N HPQ homophenylalaninylmethane +c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HPR 6-hydroxy-7,8-dihydro purine nucleoside +c1ccc(cc1)OP(=O)(O)O HPS phenyl dihydrogen phosphate +CC1=C(NC(=O)NC1=O)CCCO HPT 6-hydroxypropylthymine +CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3 HPU n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide +C(C(=O)C(=O)O)OP(=O)(O)O HPV 2-oxo-3-(phosphonooxy)propanoic acid +CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3 HPW n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide +c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O HPX (2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +C1=CNC(=O)N[C@H]1O HPY 4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one +c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O HPZ (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQ 2-heptyl-1,4-dihydroxy-quinolinium +Cc1cnc(n1CCC=C)C(=O)O HQ0 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid +c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O HQ2 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid +Cc1cnc(n1Cc2ccccc2)C(=O)O HQ3 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N HQ5 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine +CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O HQ6 n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide +CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C HQ7 5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid +C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O HQ8 (1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol +C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid +c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N HQA 3-(8-hydroxyquinolin-3-yl)-l-alanine +CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] HQB ~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine +c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O HQC 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid +CC1=C(C(=O)c2ccccc2N1)O HQD 3-hydroxy-2-methylquinolin-4(1h)-one +c1cc(ccc1O)O HQE benzene-1,4-diol +c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N HQF 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N HQG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O HQH piericidin a +CC(=O)Nc1ccc(c2c1cccn2)O HQI n-(8-hydroxyquinolin-5-yl)acetamide +c1cc(cc(c1)Cl)c2c[nH]cn2 HQJ 4-(3-chlorophenyl)-1h-imidazole +CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl HQK pyridaben +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4 HQL 4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O HQM (1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +c1cc(c(cc1O)O)O HQN benzene-1,2,4-triol +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQO 2-heptyl-4-hydroxy quinoline n-oxide +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5 HQP 4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile +CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3 HQQ 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione +Cc1cn(c(n1)C(=O)O)CCC=C HQR 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid +c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F HQS n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide +c1ccc2c(c1)C=CN(C2=S)O HQT 2-hydroxyisoquinoline-1(2h)-thione +c1ccc2c(c1)cc(c(n2)C(=O)O)O HQU 3-hydroxyquinaldic acid +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HQV (2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2 HQW aureothin +c1cc2cccnc2c(c1)O HQY quinolin-8-ol +[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O HQZ trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-) +Cc1c(c2nc(c3cccnc3n2n1)O)C#N HR0 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile +CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O HR1 (3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid +CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O HR2 (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HR3 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F HR4 (2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +Cc1c(cnn1C)C(=O)NCC2CCC2 HR5 ~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide +c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N HR6 (2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +C(C[C@@H](CC(=O)O)N)CN=C(N)N HR7 (3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid +CC(C)CNC(=O)c1cc(ccc1OC)Cl HR8 5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide +c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O HR9 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid +c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO HRA 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C HRB n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine +Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O HRC n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide +CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC HRD 2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl HRE 4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile +c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HRF 5-(benzylamino)pyridine-2,4-dicarboxylic acid +C(CCNC(=N)N)C[C@@H](C(=O)O)N HRG l-homoarginine +Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl HRH (4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(C)CC(C(=O)O)Cl HRI alpha-chloroisocaproic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3 HRJ 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O HRK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol +COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O HRL 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC HRM 7-methoxy-1-methyl-9h-beta-carboline +C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8 HRN 3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Cl HRO 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N HRP 5-hydroxy-l-tryptophan +Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC HRQ 7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide +c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3 HRR 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O HRS 5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide +C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl HRT (4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7 HRU (ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium +C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl HRV n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide +Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C HRW 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide +c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O HRX [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) +CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl HRY 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one +C1=CC(=O)NC=C1 HRZ 1~{h}-pyridin-2-one +c1c(cc2c(c1N)cn[nH]2)Br HS0 6-bromanyl-1~{h}-indazol-4-amine +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O HS1 2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide +COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O HS3 (2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO HS4 n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide +c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O HS5 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide +c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O HS6 2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide +c1ccc(cc1)S(=O)(=O)NCC(=O)N=O HS7 n-oxo-2-(phenylsulfonylamino)ethanamide +c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N HS8 3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine +CN[C@@H](Cc1c[nH]cn1)C(=O)N HS9 n-alpha-methyl-l-histidinamide +c1c(nc[nH]1)CC(COP(=O)(O)O)N HSA phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester +CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HSC (s)-3-hydroxydecanoyl-coa +C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO HSD (1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +C(CO)[C@@H](C(=O)O)N HSE l-homoserine +CCCCCCCCCCCCCCCCS(=O)(=O)F HSF 1-hexadecylsulfonyl fluoride +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O HSG octyl alpha-l-altropyranoside +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O HSH octyl beta-d-galactopyranoside +CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl HSI (3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid +CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O HSJ octyl beta-l-talopyranoside +c1c(n(cn1)O)C[C@@H](C(=O)O)N HSK 3-hydroxy-l-histidine +C1COC(=O)[C@H]1N HSL homoserine lactone +c1c(nc[nH]1)CCN HSM histamine +c1c([nH+]c[nH]1)C[C@@H](CO)N HSO l-histidinol +c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O HSP 4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O HSQ 2-acetylamino-2-deoxy-alpha-l-idopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O HSR 2-(acetylamino)-2-deoxy-beta-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HSS 5'-o-[(l-histidylamino)sulfonyl]adenosine +CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O HST 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O HSU beta-d-ribofuranose +c1c([nH+]c[nH]1)C[C@@H](C=O)N HSV l-histidinal +NS(=O)(=O)NO HSW n-hydroxysulfamide +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O HSX 5-o-phosphono-alpha-d-ribofuranose +C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O HSY alpha-l-xylopyranose +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O HSZ beta-d-xylopyranose +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HT 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C HT1 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N HT2 5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole +CCCC[C@@H]([C@@H](CO)O)O HT3 (2r,3s)-heptane-1,2,3-triol +Cc1ccc(c(c1)S)O HT4 4-methyl-2-sulfanylphenol +CCCCCCCCCC(=O)N[C@H]1CCSC1=O HT5 (4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium +CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N HT6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N HT7 (3s)-3-amino-4-(1h-indol-3-yl)butanoic acid +c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HT8 (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC HTA n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide +c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5 HTB n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine +c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O HTC 3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C HTD 2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate +c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2 HTE (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCCCC(=O)N[C@H]1CCOC1=O HTF n-(2-oxotetrahydrofuran-3-yl)octanamide +CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O HTG heptyl 1-thio-beta-d-glucopyranoside +CCCC[C@H]([C@H](CO)O)O HTH (2s,3r)-heptane-1,2,3-triol +C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N HTI (4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine +c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O HTJ 6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O HTK (7s)-7-hydroxy-1-phenyloctane-1,3,5-trione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O HTL 2-acetyl-thiamine diphosphate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O HTM 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CNC(=O)[C@@H]([C@H](C(=O)O)N)O HTN (3r)-3-hydroxy-n-methyl-d-asparagine +CCCC[C@H]([C@@H](CO)O)O HTO heptane-1,2,3-triol +c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO HTP 4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O HTQ homotropine +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O HTR beta-hydroxytryptophane +c1ccc(c(c1)O)S HTS 2-mercaptophenol +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl HTT 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O HTV 1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HTW (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCC(=O)C HTX heptan-2-one +c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O HTY (betar)-beta-hydroxy-d-tyrosine +CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6 HTZ [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone +c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O HU0 4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C HU1 tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C HU2 (2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid +c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br HU3 (1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C HU4 tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C HU5 (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU6 (1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O HU7 1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl HU8 ~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide +c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU9 (1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 HUB huperzine b +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br HUC 6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C HUD tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7 HUE 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O HUF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5 HUG 1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid +c1cnn[nH]1 HUH 1~{h}-1,2,3-triazole +C[C@@H](CO)C(=O)O HUI (2s)-2-methyl-3-oxidanyl-propanoic acid +B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O HUJ [(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron +CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3 HUK butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium +COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O HUL 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HUM (2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUN butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4 HUO (phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate +C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 HUP huperzine a +CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUQ butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC HUR n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3 HUT (2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide +CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HUU 6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O HUV methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO HUW huprine w +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1 HUX 3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine +CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F HUY 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C HUZ (2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HV0 5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide +CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC HV1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +C1C(CS1(=O)=O)O HV2 1,1-bis(oxidanylidene)thietan-3-ol +C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2 HV4 (5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one +CC(C)(C)[C@@H](C(=O)O)N HV5 tert-butylalanine +COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O HV6 (z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one +COc1ccc(c(c1)O)CN HV7 1-methylamine-2-hydroxy-4-methoxy-benzene +COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O HV8 benzyl-2-amino-paramethoxy-benzylstatine +Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F HV9 4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide +CC(C)([C@@H](C(=O)O)N)O HVA 3-hydroxy-l-valine +CCC(=[NH2+])N HVB 1-azanylpropylideneazanium +CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVD (1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+] HVE [1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium +C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C HVF equisetin +c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O HVG 4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid +CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 HVH ~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide +Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVJ (1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1ccnc(c1)N HVK pyridin-2-amine +C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C HVL (3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol +c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 HVM (2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O HVN 3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O HVO 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone +c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid +c1cscc1C[NH3+] HVQ thiophen-3-ylmethylazanium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO HVR 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol +C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-] HVS (1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2 HVT (3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O HVU 3-(1-methylpiperidin-4-yl)-1h-indol-5-ol +C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O HVV (4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one +CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F HVW (2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide +CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O HVX (2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C HVY n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O HVZ ~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N HW0 6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW1 6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O HW2 isoquercetin +CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O HW3 (2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F HW4 6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F HW5 6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F HW6 6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F HW7 6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3 HW8 4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW9 4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1=CC(=O)C(=C(N1)C(=O)O)O HWA 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O HWB cyanidin +C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N HWD 2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 HWE (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C HWG n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide +CC(=O)NCCc1c[nH]c2c1cc(cc2)F HWH ~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide +CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C HWI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HWJ 3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O HWK 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid +CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O HWM 5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one +CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1 HWN 3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3 HWQ 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO HWS coprogen +CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N HWT 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HWU (2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C HWV n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N HWW 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C HWX 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC HWY (3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N HWZ 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile +CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC HX0 n,n,n-trioctyloctan-1-aminium +C[C@H](CC[C@@H](C)O)O HX2 (2r,5r)-hexane-2,5-diol +c1cc(c(cc1NN)Cl)Cl HX3 (3,4-dichlorophenyl)hydrazine +c1ccc(cc1)c2cc(n[nH]2)N HX4 5-phenyl-1h-pyrazol-3-amine +CSc1nc(cc(n1)Cl)Cl HX5 4,6-dichloro-2-(methylsulfanyl)pyrimidine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO HX6 n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HX7 n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)O HX8 4-phenoxyphenol +C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C HX9 (2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O HXA docosa-4,7,10,13,16,19-hexaenoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O HXB 4'-methylthymidine 5'-(tetrahydrogen triphosphate) +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HXC hexanoyl-coenzyme a +CCCCCCCCC[C@H](CC(=O)O)O HXD (3r)-3-hydroxydodecanoic acid +CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N HXE 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C HXF 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid +CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC HXG 1,2-dihexanoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O HXH (1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O HXJ 2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O HXK 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid +[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N HXL 2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide +CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HXM n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br HXN 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C HXO (2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O HXP 3,6-dihydroxy-xanthene-9-propionic acid +CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C HXQ 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide +c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N HXR n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide +CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O HXS 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol +c1ccc(cc1)C(=O)CO HXT 2-hydroxy-1-phenylethanone +CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3 HXV 6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N HXW 2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile +c1cc(c(c(c1Cl)C(=O)O)O)Cl HXX 3,6-dichloro-2-hydroxybenzoic acid +c1cc(ccc1CN2CCCC2)Br HXY 1-(4-bromobenzyl)pyrrolidine +CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O HXZ 4'-ethylthymidine 5'-(tetrahydrogen triphosphate) +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N HY0 hygromycin b variant +c1ccc(cc1)CC=O HY1 phenylacetaldehyde +COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O HY2 2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +C1CN[C@@H]([C@H]1O)C(=O)O HY3 3-hydroxyproline +CCCCOC[C@H](COP(=O)(CCC)O)OCCCC HY4 (2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC HY5 fc-ncpc +c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N HY6 n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide +CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br HY7 8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N HY8 (2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C HY9 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid +C([C@H]([C@@H](/C(=N/O)/O)O)O)O HYA 2,3,4,n-tetrahydroxy-butyrimidic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C HYB [2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O HYC o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine +[OH-] HYD hydroxy group +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O HYE (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde +CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O HYF 4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N HYG hygromycin b +CCCC[C@H](C(=O)N)O HYH (2r)-2-hydroxyhexanamide +C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N HYI (2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYK 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N HYM (4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one +C1C(=O)NC(=O)N1 HYN imidazolidine-2,4-dione +CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 HYO [(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate +C1[C@H](CN[C@@H]1C(=O)O)O HYP 4-hydroxyproline +c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5 HYQ rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione +c1ccc(cc1)OCCNC=S HYR n-(2-phenoxyethyl)methanethioamide +CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O HYS n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F HYT 2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide +c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5 HYV [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYW 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HYY n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5 HYZ n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine +C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O HZ0 (10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate +CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C HZ1 (3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N HZ2 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid +COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC HZ3 dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate +CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HZ4 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cc1c(c(n(n1)C)C)NS(=O)(=O)C HZ5 ~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide +CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O HZ7 (1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] +CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C HZ8 ~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O HZB (1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol +C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C HZC [(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6 HZD 4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4 HZE 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O HZF (3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid +CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C HZG 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +c1ccc(cc1)CCSCC(=O)C(F)(F)F HZH 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one +C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N HZJ (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate +c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2 HZK (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC HZL [(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate +CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZM 2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +NN HZN hydrazine +C1[C@@H](CN[C@@H]1C(=O)O)O HZP (4s)-4-hydroxy-l-proline +c1cc2c(ccc(c2nc1)O)Cl HZQ 5-chloranylquinolin-8-ol +CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3 HZR 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one +c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3 HZT ~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O HZU (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid +CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZV 2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O HZW (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-] HZX 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N HZY 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(=CCC/C(=C\COP(=O)(O)O)/C)C HZZ [(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O I inosinic acid +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I01 (4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N I02 3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N I03 (2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I04 n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide +COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I05 (3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide +c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2 I06 2-phenethyl-2,3-dihydro-phthalazine-1,4-dione +COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I08 (3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl I09 (3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1 I0D 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O I0E (2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I0F 2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide +c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O I0G (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O I0M 2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O I0N methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C I0O 4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I0P d-myo inositol 1,4,5,6 tetrakisphosphate +C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-] I0Q (2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl I0T n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide +CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC I0V (6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I0W 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0X nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0Y nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide +CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O I10 1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone +c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3 I11 [[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C I12 n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl I13 1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea +Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C I14 n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide +Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1 I15 5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile +c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5 I16 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine +c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5 I17 2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine +CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl I18 (4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F I19 n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O I1C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)c1ccccc1 I1E 1-phenylpropan-1-one +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I1G 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate +COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4 I1H 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide +C(c1n[nH]nn1)C(=O)N[NH3+] I1L [2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium +C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O I1N (2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone +CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4 I1P 2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]- +c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O I1S [(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-] I1T (1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C I1W (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C I1Z (1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O I20 (2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid +C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N I21 2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile +C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O I22 d-altro-hept-2-ulose 7-phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C I23 n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide +CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4 I24 2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I25 (2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I26 (2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O I27 methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4 I28 ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate +CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl I29 [(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O I2A hydroxocobalamin +Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O I2C 5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +c1cc2c(cc1CCC(=O)O)OCO2 I2E 3-(1,3-benzodioxol-5-yl)propanoic acid +COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N I2H 5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine +II I2I molecular iodine +CCC(C)(C)[C@@H](C(=O)O)N I2M 3-methyl-l-alloisoleucine +Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5 I2O n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide +[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I2P d-myo-inositol-2,4,5-triphosphate +C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O I2V (1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid +C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2 I30 n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C I31 (4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole +CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O I32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile +c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4 I33 7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide +Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl I34 n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC I35 [(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate +c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N I37 4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide +C[C@H](C(=O)O)NC(=O)CCS I38 n-(3-mercaptopropanoyl)-d-alanine +Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N I39 [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone +c1ccc2c(c1)c(c[nH]2)C=O I3A 1h-indole-3-carbaldehyde +c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid +CCc1ccc(cc1)C(=O)CC I3E 1-(4-ethylphenyl)propan-1-one +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl I3K n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine +I[I-]I I3M tri-iodode anion +Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O I3N 1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3P d-myo-inositol-1,4,5-triphosphate +[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3S (1s,3s,4s)-1,3,4-triphospho-myo-inositol +CC1=C(C(=O)NC(=O)N1)N I3V 5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I I40 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O I41 2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid +O[V](=O)([O-])[O-] I42 hydroxy(dioxido)oxovanadium +CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO I43 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one +Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC I45 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F I46 2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl I47 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol +Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3 I48 n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide +c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3 I4A 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid +CC(C)Cc1ccccc1 I4B isobutylbenzene +[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O I4D d-myo-inositol-4-phosphate +CC(C)CNCC(=O)O I4G n-(2-methylpropyl)glycine +C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O I4I 3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O I4L (2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O I4P (1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate +CC1=NNC(=NC1=O)C I4S 3,6-dimethyl-2~{h}-1,2,4-triazin-5-one +CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O I4U 4-isopropyl, uridine-5'-monophosphate +[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl I50 n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide +CC1=C(NC(=O)NC1=O)C=C(CO)CO I51 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO I52 n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl I53 2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3 I57 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en onic acid +[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F I58 4r-fluoro-n6-ethanimidoyl-l-lysine +c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O I59 hydroxy(1-naphthyl)methylphosphonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O I5A 5'-deoxy-5'-iodocytidine +CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC I5B (5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O I5C 5-iodo-2'-deoxy-cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3 I5H (5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione +c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3 I5I 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole +Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F I5N 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine +C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O I5P inositol-(1,3,4,5,6)-pentakisphosphate +c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3 I5R (2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl I5S isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4 I5T 4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N I5U n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 I5W (~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +C1CC1C2=NC(=O)NC(=O)C2 I5Z 6-cyclopropyl-5~{h}-pyrimidine-2,4-dione +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O I63 {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4 I66 ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N I67 n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide +COc1cc2cc[nH]c2cc1c3ccncc3 I6A 5-methoxy-6-pyridin-4-yl-1~{h}-indole +Cc1c(nc2c(ccc(c2n1)O)OC)C I6G 8-methoxy-2,3-dimethylquinoxalin-5-ol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O I6J (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I6P inositol 1,2,3,4,5,6-hexakisphosphate +CCC1=NC(=O)NC(=O)C1 I6R 6-ethyl-5~{h}-pyrimidine-2,4-dione +CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O I6W ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate +CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC I6X 5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C I70 (1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O I73 (3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O I74 (3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(=O)c1ccc(c(c1)OC)O I75 1-(4-hydroxy-3-methoxyphenyl)ethanone +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N I76 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN I77 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide +Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O I79 {1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid +c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N I7A 4,5-dichlorobenzene-1,3-disulfonamide +c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N I7B 4-amino-6-chlorobenzene-1,3-disulfonamide +c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F I7C 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide +CC(C)(C)c1ccccc1 I7E tert-butylbenzene +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O I7K 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O I7N n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I7P (1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I I7T 7-iodotetracycline +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O I7V (3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COc1cccc(c1)CN2CCC(CC2)C(=O)N I81 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide +CNc1c2c(c([nH]n2)c3ccccc3)ncn1 I82 ~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +CN[Pt](N(C)C)(Cl)Cl I83 bis(chloranyl)-(dimethylamino)-(methylamino)platinum +Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C I84 [2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine +c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O I85 n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide +C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C I87 (2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CC1(CN(C1(C)C)C(=O)NCC2CC2)C I8A n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide +c1cc(ccc1C(=O)N2CCSCC2)Cl I8D (4-chlorophenyl)(thiomorpholin-4-yl)methanone +c1cc(ccc1OCC(=O)N2CCCC2)F I8G 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one +CC1(CC1)S(=O)(=O)N2CCC=C(C2)F I8J 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine +c1ccc(c(c1)CN2CCOCC2)O I8M 2-[(morpholin-4-yl)methyl]phenol +Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC I8N 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O I8P (1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O I8Q 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC I8R 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O I8U 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O I8Y 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O I91 n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br I92 4-(2-bromophenyl)-2,4-dioxobutanoic acid +Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F I93 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid +CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3 I96 n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine +c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl I98 {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O I99 (3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O I9C methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate +COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O I9F dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate +C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1 I9G 8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline +CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO I9H n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O I9K (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4 I9N 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O I9Q n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I IA 2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl IA2 2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O IA3 methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3 IA4 ~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O IA5 methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3 IA7 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile +Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F IA9 2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O IAA ({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO IAB iso-acarbose +c1ccc2c(c1)c(c[nH]2)CC(=O)O IAC 1h-indol-3-ylacetic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O IAD n-[1h-indol-3-yl-acetyl]aspartic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O IAG n-[1h-indol-3-yl-acetyl]glycine acid +CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N IAM 4-[(isopropylamino)methyl]phenylalanine +CO[C@@H](c1ccccc1)[P@@](=O)(O)OC IAN methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate +B(c1cccc(c1)NC(=O)CI)(O)O IAP 4-iodo-acetamido phenylboronic acid +Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C IAQ (2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide +[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O IAR (2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid +C([C@@H](C(=O)O)N)C(=O)O IAS beta-l-aspartic acid +CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2 IAV n-[1h-indol-3-yl-acetyl]valine acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC IB 2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F IB1 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N IB2 p1-p2-methylene-p3-thio-diadenosine triphosphate +Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O IB3 [(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid +CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 IB5 ~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide +CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O IB8 (7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid +CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O IBA 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O IBB 5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole +C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N IBC 3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC IBD 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +c1(c(c(c(c(c1F)F)I)F)F)F IBF 1,2,3,4,5-pentafluoro-6-iodobenzene +c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I IBG gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine +Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O IBH (nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C IBI n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide +CC(C)CNC(=O)COCc1cc(on1)c2cccs2 IBK n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide +CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C IBM 3-isobutyl-1-methylxanthine +CC(C)CN IBN 2-methylpropan-1-amine +CC(C)C(=O)N IBO 2-methylpropanamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O IBP ibuprofen +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O IBQ iodo-bedaquiline +c1cc(c(cc1N)C=O)CC(=O)OCCBr IBR (2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate +C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IBS l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate +CC(C)COC(=O)O IBU 2-methylpropyl hydrogen carbonate +c1ccc(c(c1)CS)I IBZ 2-iodobenzylthio group +C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IC isocytidine-5'-monophosphate +COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC IC1 3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one +c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N IC3 [2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2 IC6 (2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N IC8 2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccc(cc1)CS(=O)(=O)CNC IC9 n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine +C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O ICA isocitrate calcium complex +c1ccc2c(c1)cc([nH]2)C(=O)O ICB 1h-indole-2-carboxylic acid +C1CCC(=O)NCC1 ICC azepan-2-one +Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O ICD 4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81 ICE iron-sulfur-molybdenum cluster with interstitial carbon +[C@H](C(F)(F)F)(OC(F)F)Cl ICF 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether +C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12 ICG iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9 ICH iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICI isocitric acid +CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C ICJ (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol +CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C ICL [1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester +CC(C)[C@@](C)(C#N)O ICN (s)-2-hydroxy-2,3-dimethylbutanenitrile +c1ccc2c(c1)c(c[nH]2)C(=O)O ICO 1h-indole-3-carboxylic acid +CC1=NC(=N)C(=C)C=N1 ICP 2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine +[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O ICR (4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid +C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 ICS iron-sulfur-molybdenum cluster with interstitial carbon +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICT isocitric acid +CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC ICU methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate +COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I ICX methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate +c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I ICY s-(2-iodobenzyl)-l-cysteine +C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21 ICZ iron-sulfur-molybdenum cluster with interstitial carbon +CNC(=O)c1c2c([nH]n1)CCCC2 ID0 n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O ID1 imipenem +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O ID2 5-iododeoxyuridine +CC1=C(C(CCC1)(C)C)/C=C/C(=O)C ID3 (3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3 ID4 4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide +c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F ID5 [5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid +CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C ID6 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one +Cc1cccc(c1C)Nc2ccccc2C(=O)O ID8 2-[(2,3-dimethylphenyl)amino]benzoic acid +CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N IDA (2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid +c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I IDB 3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid +c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O IDC (5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside +c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDD (5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDE (5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol +[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O IDF 5-fluoro-alpha-l-idopyranosyluronic acid fluoride +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N IDG 2,6-diamino-2,6-dideoxy-beta-l-idopyranose +C1[C@@H](C(=O)NC(=O)N1)I IDH (5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione +c1cc2c(cc1I)CNCC2 IDI 7-iodo-1,2,3,4-tetrahydro-isoquinoline +C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O IDJ (2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid +c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 IDK n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide +c1ccn2c(c1)ncc2CC(=O)O IDL imidazo[1,2-a]pyridin-3-ylacetic acid +c1ccc2c(c1)CCN2 IDM indoline +Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4 IDN (e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide +[I-] IDO iodo group +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O IDP inosine-5'-diphosphate +CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N IDQ 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O IDR alpha-l-idopyranuronic acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDS 2-o-sulfo-alpha-l-idopyranuronic acid +[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O IDT 4,5-dehydro-l-iduronic acid +[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDU 2-o-sulfo-beta-l-altropyranuronic acid +CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4 IDV n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDX 2-o-sulfo-alpha-l-gulopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O IDY 1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3 IDZ 3-(1h-benzimidazol-2-yl)-1h-indazole +Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N IE2 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide +c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN IE4 n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide +Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN IE6 n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide +c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5 IE8 5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine +Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl IEE 6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine +CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F IEF propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate +Cc1ccccc1S(=O)(=O)N IEJ o-toluenesulfonamide +[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N IEL n~6~-[(1z)-ethanimidoyl]-l-lysine +CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C IEM 2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3 IEO 3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC IEP [(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C IES propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl IET 1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea +c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O IEY {5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O IF1 (1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid +CNc1c2c(nc(n1)NC)n(cn2)C IF3 ~{n}2,~{n}6,9-trimethylpurine-2,6-diamine +[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O IF6 (1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy- +C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO IF7 (3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one +COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F IFA methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O IFB n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine +Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F IFC n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O IFG (2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine +C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO IFL (3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CO IFM 5-hydroxymethyl-3,4-dihydroxypiperidine +C=C1C=NC(=NC1=N)C(F)(F)F IFP 2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine +CC(C)OP(=O)(c1ccccc1CS)OC(C)C IFS bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate +CNc1c2c(c([nH]n2)Br)ncn1 IFZ 3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N IG isoguanosine-5'-monophosphate +c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O IG2 (2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1[nH]c2c(n1)NC(=O)N=C2N IGA 6-amino-3,7-dihydro-2h-purin-2-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O IGC n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide +Cc1cc(c(s1)C)S(=O)(=O)NC IGF n,2,5-trimethyl-3-thiophenesulfonamide +c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N IGL alpha-amino-2-indanacetic acid +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O IGM 2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide +C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O IGN {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O IGP indole-3-glycerol phosphate +CC1=C(C(=O)N(C(=O)N1)C)N IGT 5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O IGU 2'-deoxyisoguanine-5'-monophosphate +COC1=CC(=O)NC(=O)N1 IGX 6-methoxy-1h-pyrimidine-2,4-dione +c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br IH1 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N IH2 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N IH3 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5 IH4 n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl) +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl IH5 {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid +CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C IH6 (3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +c1cc(cc(c1)O)CNCCS(=O)(=O)O IH9 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid +COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC IHA {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +c1cc(c(cc1C(=O)O)I)O IHB 3-iodo-4-hydroxybenzoic acid +c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl IHC {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +CCCCCCCCCCCCCCCCI IHD 1-iodohexadecane +CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N IHE 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile +CCC1=C(C(=O)NC(=O)N1)N IHF 5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione +CC(C)NC(=N)NO IHG n-isopropyl-n'-hydroxyguanidine +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5 IHH [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile +c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5 IHI 9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile +CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5 IHJ 9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile +CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F IHM n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O IHP inositol hexakisphosphate +CCCCCCCC1=C(C(=O)c2ccccc2N1O)I IHQ 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one +Cc1c2c(c(ncn2)NC3CC3)n[nH]1 IHR ~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O IHS d-myo-inositol-hexasulphate +COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O IHU n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea +CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F IHX 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol +Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F IHZ 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide +c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N II2 5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc(c1)n2cnc3c2ccc(c3)N II4 1-(3-methylphenyl)-1h-benzimidazol-5-amine +C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN II6 [(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl IIA 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl IIB 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide +c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N IIC 4-imidazolmethylene-5-imidazolone chromophore +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC IID n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl IIE 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O IIG n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I IIH 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol +CN(C)c1c2ccccc2nc(n1)N3CCCC3 III ~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine +CC[C@@H](C)[C@@H](C(=O)O)N IIL iso-isoleucine +CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N IIN 2-methyl-3-amino-3-phenylisoindol-1-one +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C IIP imidazole-pyrrole polyamide +Cc1cccc(c1)CNCCS(=O)(=O)O IJ1 2-[(3-methylbenzyl)amino]ethanesulfonic acid +c1cc(oc1)CNCCS(=O)(=O)O IJ2 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid +Cc1cc(ccc1F)CNCCS(=O)(=O)O IJ4 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid +C1CCC(CC1)CNCCS(=O)(=O)O IJ6 2-[(cyclohexylmethyl)amino]ethanesulfonic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O IJE {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid +C1(=C(NC(=O)NC1=O)C(=O)O)N IJZ 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N IK1 5-phenyl-2-ureidothiophene-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O IK2 4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate +c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N IK4 n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F IK8 1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide +c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2 IK9 2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol +C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O IKM (4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid +Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC IKR methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate +C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N IKT 3-(1-aminoethyl)nonanedioic acid +c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO IKX 4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F IKY n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide +CC[C@H](C)[C@@H](C(O)O)N IL0 (2s,3s)-2-amino-3-methylpentane-1,1-diol +CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O IL2 (5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid +CC#CCOc1ccc(cc1)CNS(=O)(=O)N IL3 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene +c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O IL5 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide +CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ILA n-[isoleucinyl]-n'-[adenosyl]-diaminosufone +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F ILB 2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O ILC 3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C ILD (4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CC[C@H](C)[C@@H](C(=O)O)N ILE isoleucine +CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 l-isoleucine c-terminal deprotonated fragment +CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H l-isoleucine c-terminal protonated fragment +CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH l-isoleucine free neutral +CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW l-isoleucine free zwitterion +CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL l-isoleucine - linking embedded fragment +CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 l-isoleucine n-terminal protonated fragment +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F ILF 3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid +C(C[C@@H](C(=O)O)[NH3+])C=O ILG glutamyl group +c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F ILH 2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid +C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3 ILI n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide +c1cc2c(cc1Cl)C(=CC(=O)N2)CN ILL 4-(aminomethyl)-6-chloroquinolin-2(1h)-one +CC[C@H](C)[C@@H](C(=O)OC)N ILM methyl l-isoleucinate +CC(=N)NCCC[C@@H](C(=O)O)N ILO n5-iminoethyl-l-ornithine +CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O ILP n-[o-phosphono-pyridoxyl]-isoleucine +[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N ILT monoimidazole lexitropsin +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO ILV (2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N ILX 4,5-dihydroxyisoleucine +CC(C)NCCCC[C@@H](C(=O)O)N ILY n~6~-propan-2-yl-l-lysine +CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O IM1 (2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O IM2 (5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid +[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O IM3 (2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid +c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl IM4 (2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine +c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO IM5 2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4 IM6 4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C IM7 (5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IM8 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO IM9 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol +C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5 IMA [4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium +c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O IMB [(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid +CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O IMC n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate +c1c[nH+]c[nH]1 IMD imidazole +c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2] IME tetra(imidazole)diaquacopper (ii) +C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2] IMF tetra(imidazole)diaquacopper (i) +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMG 1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol +c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMH 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2 IMI 2-iminobiotin +Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4 IMJ (2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide +Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O IMK 2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole +CC[C@H](C)[C@@H](C(=O)O)NC IML n-methyl-isoleucine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O IMM 1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O IMN indomethacin +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O IMO 6-o-phosphoryl inosine monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O IMP inosinic acid +c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O IMQ (2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol +C1[C@@H]([C@@H]([C@H](N1)CO)O)O IMR iminoribitol +CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IMS 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide +Cn1cc(nc1C(=O)O)N IMT 4-amino-(1-methylimidazole)-2-carboxylic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IMU phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester +c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 IMV 5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CC(=O)C(=CC1=O)C(C)C IMW 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione +c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IMX [(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC IMY 1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine +CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC IMZ cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone +[In+3] IN indium (iii) ion +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl IN0 n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid +CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O IN1 4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate +CN(C)C(=O)NN(CCCCN)C(=O)O IN2 n,n-dimethylcarbamoyl-alpha-azalysine +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3 IN3 1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide +[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N IN4 +/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O IN5 {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid +CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 IN6 n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O IN7 [4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid +c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3 IN8 [2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester +CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S IN9 2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 INA 1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C INB 1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide +CC(C)C[C@H](C(=O)OC)N(C(=O)C)O INC 2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester +c1ccc2c(c1)cc[nH]2 IND indole +c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br INE 3-bromo-7-nitroindazole +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO INF d-[(n-hydroxyamino)carbonyl]phenylalanine +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N ING d-[(amino)carbonyl]phenylalanine +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 INH n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] INI 5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O INJ 5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid +CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl INK (rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride +COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INL 6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N INM 4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C INN n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide +c1c[n+](c(cc1C(=O)O)O)[O-] INO 2-hydroxyisonicotinic acid n-oxide +CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3 INP 4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n +c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INQ 6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2 INR 2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid +C1(C(C(C(C(C1O)O)O)O)O)O INS 1,2,3,4,5,6-hexahydroxy-cyclohexane +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 INT [[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O INU n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide +c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F INV 4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N INW 4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O INX 2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl INY carpropamide +CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O INZ 2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid +c1ccc(cc1)COc2ccc(cc2)CC(=O)O IO2 2-(4-phenylmethoxyphenyl)ethanoic acid +CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O IO3 iophenoxic acid +CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N IO5 (2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide +c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N IOA 4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide +c1cc(cc(c1)I)CO IOB 3-iodo-benzyl alcohol +c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N IOC 4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide +[I-] IOD iodide ion +c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N IOE 4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N IOF 4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5 IOG n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide +CC(C)O IOH 2-propanol, isopropanol +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 IOK n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide +c1cc(ccc1O)I IOL 4-iodophenol +CN(CC(=O)O)C(N)N IOM (diaminomethyl-methyl-amino)-acetic acid +C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C ION aristolochene +c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F IOO n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate +c1ccc2c(c1)c(c[nH]2)CCC(=O)O IOP indolylpropionic acid +C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N IOR n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine +c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O IOS 3-sulfooxy-1h-indole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N IOT arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester +c1ccc(cc1)CS(=O)(=O)O IOX phenylmethanesulfonic acid +c1cc(ccc1C[C@H](C(=O)O)N)I IOY p-iodo-d-phenylalanine +CC(C)c1ccccc1O IP0 2-(1-methylethyl)phenol +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C IP1 isopenicillin n +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IP2 d-myo-inositol-4,5-bisphosphate +CC(C)CCO IP3 1-hydroxy-3-methylbutane +CC1(CCC(=O)N1C)C IP4 1-methyl-2-oxy-5,5-dimethyl pyrrolidine +C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O IP5 (1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N IP6 n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine +c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4 IP7 n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine +CC(=C)CCOP(=O)(O)O IP8 isopentenyl phosphate +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC IP9 (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate +CC(C)O IPA isopropyl alcohol +Cc1ccc(c(c1)O)C(C)C IPB 5-methyl-2-(1-methylethyl)phenol +Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C IPC 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid +[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O IPD d-myo-inositol-1-phosphate +CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O IPE 3-methylbut-3-enyl trihydrogen diphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C IPF n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide +CC(C)NCC(=O)O IPG n-isopropyl glycine +c1ccc(cc1)O IPH phenol +CC(C)CCP(=O)(O)O IPI 3-methylbutylphosphonic acid +c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O IPJ 4-hydroxy-chalcone +c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4 IPK 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O IPL indole-3-propanol phosphate +CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O IPM 3-isopropylmalic acid +C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I IPN 2-aminoethylglycine-carbonylmethylene-5-iodouracil +c1cc(ccc1C[C@H](C(=O)NO)N)I IPO para-iodo-d-phenylalanine hydroxamic acid +c1cc(ccc1CC(=O)NC[P@H](=O)O)I IPP (p-iodophenylacetylamino)methylphosphinic acid +CC(C)CCO[P@@](=O)(O)OP(=O)(O)O IPR isopentyl pyrophosphate +OP(=O)([O-])[O-] IPS inorganic phosphate group +CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IPT 1-methylethyl 1-thio-beta-d-galactopyranoside +CC(C)SC(=N)N IPU s-isopropyl-isothiourea +Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO IPV [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol +c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl IPW (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone +c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IPX 4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C IPY imidazole-pyrrole polyamide +CC(C)c1c(nccn1)OC IPZ 2-isopropyl-3-methoxypyrazine +C1CCC(C1)C(=O)O IQ0 cyclopentanecarboxylic acid +CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4 IQ1 3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline +Cc1cc2c(cc1NC(=O)C)nc(s2)N IQ5 n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide +c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4 IQ6 6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine +COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl IQ7 2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide +c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O IQA (5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid +c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br IQB n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide +c1cc2c(c(c1)O)CC=NC2=O IQD 5-hydroxyisoquinolin-1(4h)-one +Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4 IQG n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate) +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC IQK n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) +[H]/N=C(/c1ncccn1)\NC IQL n-methylpyrimidine-2-carboximidamide +c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O IQO 1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one +C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3 IQP 1-(5-isoquinolinesulfonyl)-2-methylpiperazine +c1cc(cc(c1)C(=O)O)c2cccc(c2)O IQQ 3-(3-hydroxyphenyl)benzoic acid +CNCCNS(=O)(=O)c1cccc2c1ccnc2 IQS n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)NCCN IQU n-(2-aminoethyl)isoquinoline-5-sulfonamide +Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N IQW 5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C IQX n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide +c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O IQZ (12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one +[Ir+4] IR iridium ion +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O IR1 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one +c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6 IR2 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one +[Ir+3] IR3 iridium (iii) ion +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4 IR4 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO IR5 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C IR6 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR8 [(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR9 [(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +COc1ccc(cc1CC(=O)O)Br IRA (5-bromo-2-methoxyphenyl)acetic acid +c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O IRB (2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid +CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O IRC s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate +COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2 IRE gefitinib +Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O IRF 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol +c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N IRG n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine +COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O IRH isorhamnetin +[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3] IRI iridium hexammine ion +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O IRK (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C IRL (2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name) +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IRN 1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole +C1(=C(NC(=O)NC1=O)C(=O)O)I IRO 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IRP (1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O IRR n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide +CC(=C)CN IRS 2-methylprop-2-en-1-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC IRW (1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O IS1 3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium +CCc1ccc(cc1)NC(=O)P(=O)(O)O IS2 [(4-ethylphenyl)amino]carbonylphosphonic acid +CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S IS3 isopentenyl diphosphate beta-s +Cc1ccc2c(c1)CC(=O)N2C IS7 1,5-dimethyl-3~{h}-indol-2-one +C(=N)=S IS8 isothiocyanate +c1cc(ccc1C[C@@H](C(=O)O)S)I ISA 3-(4-iodo-phenyl)-2-mercapto-propionic acid +CC(C)C(=O)O ISB isobutyric acid +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O ISC (5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ISD isoascorbic acid +[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O ISE (2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone +C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O ISF p-(2'-iodo-5'-thenoyl)hydrotropic acid +CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N ISH (7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N ISI (7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O ISJ (3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O ISL 6-o-alpha-d-glucopyranosyl-d-fructose +COC(=O)Cc1ccc(cc1C(=O)O)N ISM 5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid +c1ccc2c(c1)C(=O)C(=O)N2 ISN isatin +CC(C)c1ccc(cc1)N ISO para-isopropylaniline +CC(C)OP(=O)(O)O ISP phosphorylisopropane +c1ccc2cnccc2c1 ISQ isoquinoline +C(CO)C(=O)CN\C=C\C=O ISS (2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal +CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N IST isostatine +[H]/N=C(/N)\[Se]CC ISU se-ethyl-isoselenourea +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C ISW {3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron +C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO ISX (3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside +CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O ISY 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid +[H]/N=N/C(=O)c1ccncc1 ISZ 4-(diazenylcarbonyl)pyridine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O IT1 (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C1COCCN1C(=S)S IT2 morpholine-4-carbodithioic acid +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IT3 (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N IT5 4-cyano-4-phenylpiperidine-1-carbodithioic acid +CC1=CC(=O)[C@H](CC1)C(=C)C IT9 (-)-isopiperitenone +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O ITA {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O ITB 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C ITC iso-7-chlortetracycline +CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C ITD (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate +CNc1[nH]c2cc3c(cc2n1)N=CNC3=O ITE 2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O ITG (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7 ITI n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C ITL (3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid +C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O ITM isocitric acid-magnesium complex +C=C(CC(=O)O)C(=O)O ITN 2-methylidenebutanedioic acid +C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O ITP phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester +C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC ITQ 1,2,3,4-tetrahydrogen staurosporine +c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O ITR imino-tryptophan +[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O ITS inositol 1,3,4,5-tetrakisphosphate +c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O ITT inosine 5'-triphosphate +CCSC(=N)N ITU ethylisothiourea +C=C(Cc1c[nH]c2c1cccc2)C(=O)O ITW 2-[(1h-indol-3-yl)methyl]prop-2-enoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC ITX (1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCC#CCC#CCC#CCC#CCCCC(=O)O ITY icosa-5,8,11,14-tetraynoic acid +CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N ITZ 2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I IU 5-iodouridine-5'-monophosphate +Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3 IU1 1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C IU5 iso-ursodeoxycholic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O IU6 6-ethyl-iso-ursodeoxycholic acid +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IUB (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O IUG 1-(2-nitrophenyl)ethyl udp-galactose +CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 IUL 4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile +[O-][U+4][O-] IUM uranyl (vi) ion +C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO IUP 5-(hydro)peroxoisourate +C1=C(C(=O)NC(=O)N1)I IUR 5-iodouracil +c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F IUU 4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine +CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C IUY ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate +Cc1c(ccc2c1nc(s2)N)Cl IV2 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine +Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C IV7 (10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +CC(C)CC(=O)O IVA isovaleric acid +CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O IVC isovaleryl-coenzyme a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI IVF n-(iodoacetyl)-l-valyl-l-phenylalaninamide +CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IVH 2-(butylsulfanyl)adenosine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl IVK (3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide +C[N+]1(CCCC1)CCCC(=O)O IVL 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium +CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C IVM (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside +CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVS 3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C IVU 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile +CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVV n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide +c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl IW1 2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol +c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl IW2 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N IW3 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol +c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br IW4 4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N IW5 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline +COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC IW6 2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline +CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N IW7 2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid +CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br IW8 1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I IWD 2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N IWH 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide +c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F IWP 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 IWR 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +c1ccc(cc1)c2nnc(o2)S IWT 5-phenyl-1,3,4-oxadiazole-2-thiol +B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O IWW [(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid +c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F IWX n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide +COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O IX1 5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid +Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O IX6 (11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O IXA n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O IXD 4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid +CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N IXE n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N IXF n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine +CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N IXG n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine +C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6 IXH 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 IXM (z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime +CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N IXN 2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine +C[N+](C)(C)CC#CCOC1=NOCC1 IXO 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6 IXP (5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate +CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F IXS n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4 IXV n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide +CCOC(=O)C[C@H]1CO1 IXW ethyl (2s)-oxiran-2-ylacetate +CN(C)CCCN1c2ccccc2CCc3c1cccc3 IXX 3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3 IXY n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 IXZ n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide +Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N IY1 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile +c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F IY5 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN IY7 (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O IYG n-alpha-acetyl-3,5-diiodotyrosylglycine +c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O IYP (2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)O IYR 3-iodo-tyrosine +C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O IYT n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine +COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N IYX 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4 IYZ 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone +c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ1 n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ2 n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F IZ3 3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide +c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ4 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ5 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N IZ9 (e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3 IZA 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one +CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5 IZB n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide +C1N=CC(=N1)CC(=O)O IZC 2h-imidazol-4-ylacetic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N IZD isothiazolidinone analog +c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O IZE n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide +COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O IZF methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate +CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O IZG 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione +CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4 IZN (4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one +C#CCC[C@@H](C(=O)O)N IZO (2s)-2-aminohex-5-ynoic acid +C[C@H](c1ccc(cc1)CC(C)C)C(=O)O IZP (2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid +c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N IZX 1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N IZZ (2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol +B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O J00 2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O J01 (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O J02 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O J03 (2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N J04 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O J05 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid +C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C J06 [(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl J07 4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N J08 4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N J0A (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I J0B 1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N J0C 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C J0D 1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N J0E 1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CCCc1c(c2cnc(nc2[nH]1)C)Br J0F 5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine +C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3 J0G 2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide +C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N J0J d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0K 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CC1(c2cccc(c2NC1=O)NC)C J0L 3,3-dimethyl-7-(methylamino)-1h-indol-2-one +C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O J0M d-galactonic acid +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0N 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4 J0P n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC J0S (3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J0T (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C J0U (2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one +Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C J0V 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid +CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O J0W (e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O J0X 2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F J0Y (2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide +CC(=O)OCc1ccccc1 J0Z benzyl acetate +CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C J10 methyl farnesoate +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F J11 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN J12 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-] J13 (1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F J14 n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN J15 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F J18 [(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol +COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2 J19 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one +c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O J1A 5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1B 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1C 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C J1D 5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine +c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J1E (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1F ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3 J1G n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide +C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O J1H [(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1I 5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine +c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O J1J n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +c1cc(ccc1C(=O)NCCO)C(=O)O J1K 4-(2-hydroxyethylcarbamoyl)benzoic acid +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1L 5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C J1M (2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3 J1N 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O J1O 4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid +CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C J1Q 1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide +CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1R (1r,19r) cobalt tetradehydrocorrin +CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1S (1s,19s) cobalt tetradehydrocorrin +COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2 J1T 4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3 J1V n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide +CCCCCCCCCCCCCC[C@H](C(=O)O)Br J1W 2-bromopalmitic acid +c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4 J1X 3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +c1csc2c1scc2 J1Z thieno[3,2-b]thiophene +COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC J20 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde +CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br J21 n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C J22 {(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol +CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4 J24 ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate +CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC J25 diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F J27 [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium +Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C J28 5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N J2A (2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N J2B o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate +c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl J2C 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3 J2D n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C J2E 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O J2G 4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid +Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6 J2H 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F J2I 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone +c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O J2J 5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F J2M n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N J2N (3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N J2O 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine +CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 J2P (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N J2Q ~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide +c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2 J2T n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine +c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O J2U (2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC J2V n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N J2W ~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide +c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O J2X (2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC J2Y n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O J2Z (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one +c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS J30 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol +c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J31 n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O J32 [(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate +c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl J33 6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one +c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J34 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid +CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O J35 (2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid +c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3 J36 parvine +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br J37 n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid +C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO J38 (2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C J3A 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine +[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N J3B (3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C J3C (7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol +C([C@@H](C(=O)O)NC(=O)O)S J3D n-carboxy-l-cysteine +Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O J3E 7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4 J3F (5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +CCCC(=O)OCC(COC(=O)CCC)O J3G 2-hydroxypropane-1,3-diyl dibutanoate +CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N J3H 1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N J3I (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide +CCCC(=O)OC(CO)CO J3J 1,3-dihydroxypropan-2-yl butanoate +C[C@H](CN)O J3K (2~{r})-1-azanylpropan-2-ol +CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O J3L (2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O J3M (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N J3N 1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O J3P (2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O J3Q (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-] J3R 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid +C(CCC(=O)N)C[C@@H](CCS)S J3S (6s)-6,8-disulfanyloctanamide +[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O J3T [4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate +C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O J3U (6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid +c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J3V 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O J3W methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br J3X 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5 J3Y [6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O J3Z (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC J40 [(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate +CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1 J41 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O J42 n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N J43 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J45 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide +c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br J46 4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br J47 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile +c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J48 cmbl3a +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N J49 (2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid +CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O J4A 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one +CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C J4B ~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide +Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4C (2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid +c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O J4D 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O J4E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl J4F 3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N J4G 3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate) +c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J4H cmbl4 +c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN J4J 2-[(2-nitrophenyl)sulfanyl]acetohydrazide +c1cc(ccc1OCc2[nH]nnn2)Cl J4K 5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4L 1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione +Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F J4M n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O J4N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C J4O 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3 J4P (2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CS(=O)(=O)c1nccn1Cc2cscn2 J4Q 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C J4R 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3 J4S (2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C J4T [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 J4U (2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5 J4V (1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide +B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O J4W tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate +[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N J4X 6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl J4Y (1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide +Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3 J4Z n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl J50 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(=O)NC(=O)OCc1ccccc1 J51 benzyl acetylcarbamate +C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+] J52 dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O J53 (2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid +c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O J54 (2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid +c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N J55 1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide +c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br J56 (2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide +CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O J57 (~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid +c1cc2c(cc1N)c([nH]n2)Br J58 3-bromanyl-2~{h}-indazol-5-amine +c1cc(c(c2c1nccn2)Br)NC3=NCCN3 J59 brimonidine +CC(=O)NCc1cc(cs1)Br J5A n-[(4-bromothiophen-2-yl)methyl]acetamide +C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O J5B (3r)-3-hydroxybutyl alpha-d-glucopyranoside +Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C J5C oxymetazoline +Cc1cc(ccc1F)CNC(=O)C J5D n-[(4-fluoro-3-methylphenyl)methyl]acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O J5E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4 J5F (1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide +Cc1cc(no1)NC(=O)C J5G n-(5-methyl-1,2-oxazol-3-yl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O J5H ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate +CC1=Cc2ccccc2NC1=O J5I 3-methyl-1,2-dihydroquinolin-2-one +Cc1cccc(c1)/C=N/C(=O)C J5J n-[(e)-(3-methylphenyl)methylidene]acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N J5K (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 J5L (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CC(=O)NCC#Cc1cccc(c1)C(F)(F)F J5M n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5N ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 J5P n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O J5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O J5R 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid +Cc1ccc(cc1)/C=N/C(=O)C J5S n-[(e)-(4-methylphenyl)methylidene]acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5T ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NCC#Cc1ccccc1 J5V n-(3-phenylprop-2-yn-1-yl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O J5W (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O J5X gibberellin a9 +Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl J5Y nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F J5Z 5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C J60 5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +CC(=O)NNC(=O)c1ccccc1Cl J61 n'-acetyl-2-chlorobenzohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O J62 (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3 J63 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione +CC(=O)NCc1ccc(s1)Cl J64 n-[(5-chlorothiophen-2-yl)methyl]acetamide +c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J67 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3 J6A (2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C J6B ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C J6C miltiradiene +CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C J6D 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F J6E ~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl J6H (3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid +CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC J6J 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide +Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C J6K (3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid +CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C J6L 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one +Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl J6N (3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C J6P (5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C J6Q (3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-] J6S (3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N J6T 2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid +Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J6V 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide +Cc1ccc2c(c1)cc(s2)CO J6W (5-methyl-1-benzothiophen-2-yl)methanol +CC[C@@H](C)S(=O)(=O)[O-] J6Z (2r)-butane-2-sulfonate +c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7 J70 pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone) +COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] J71 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F J72 (3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O J73 methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside +c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J74 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-] J75 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O J76 (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C J77 (methylpyridazine piperidine ethyloxyphenyl)ethylacetate +CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C J78 (methylpyridazine piperidine propyloxyphenyl)ethylacetate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C J79 (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid +c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O J7C 9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl J7G 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid +CCCCC[C@](C)(C(=O)O)N J7H (2~{r})-2-azanyl-2-methyl-heptanoic acid +c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO J7J n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea +O[Mo]1O[Mo](O1)(O)O J7N 2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane +O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O] J7Q tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum +COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl J7S 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O] J7T molybdate cluster +c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7U chromium-5,10,15,20-tetraphenylporphyrin +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O J7V 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp +c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7X mn-5,10,15,20-tetraphenylporphyrin +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC J7Z (2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate +CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C J80 (methylpyridazine piperidine butyloxyphenyl)ethylacetate +CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O J81 (5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 J82 2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J83 co-5,10,15,20-tetraphenylporphyrin +c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N J84 1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine +O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O] J85 [[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum +C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O J86 [(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid +COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4 J87 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide +c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J88 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime +CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N J89 (2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol +c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 J8A 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide +[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O] J8B molybdate cluster +CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C J8C 1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid +COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O J8D 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one +O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O] J8E oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8F 4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile +COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O J8G 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one +Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C J8H (3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid +CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8L 4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl J8N 4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide +CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8O 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N J8Q ~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide +CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8R 4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile +COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC J8S (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone +CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O J8T [(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8U 4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile +c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O J8V 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +C([C@@H](C(=O)O)N)OC(=O)CC(=O)O J8W (2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2 J8X (~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile +c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3 J8Y 2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide +Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J8Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate +c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N J90 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F J91 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N J92 methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate +CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N J93 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile +C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C J94 (5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium +CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N J95 ~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide +c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J96 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid +c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O J97 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F J99 (10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N J9A n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine +c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N J9D 4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F J9E 4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide +c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O J9F (4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O J9G 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N J9H pentacoordinate pt(ii) compound +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2 J9K tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate +Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC J9L (5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one +c1cc(sc1)C2=NN=C(C2)N J9N 5-thiophen-2-yl-4~{h}-pyrazol-3-amine +CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl J9O 2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one +CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O J9P (11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid +c1ccc(c(c1)c2cnco2)N J9Q 2-(1,3-oxazol-5-yl)aniline +Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N J9R 4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide +COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9S n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1ccnc(c1)N J9T methyl 2-azanylpyridine-4-carboxylate +C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C J9U (8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9V n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +c1ccc2c(c1)C(=O)NC(=O)O2 J9W 1,3-benzoxazine-2,4-dione +CCNC(=O)C(=O)O J9X 2-(ethylamino)-2-oxidanylidene-ethanoic acid +CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N J9Y (2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate +c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J9Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-] JA1 5-hexyl-2-(4-nitrophenoxy)phenol +c1ccc2c(c1)[nH]c(n2)CCCCCN JA2 5-(1h-benzimidazol-2-yl)pentan-1-amine +CCc1cc(c(cc1F)Oc2cccnc2F)O JA3 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4 JA4 n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1cc2cc(sc2[nH]1)CO JA5 methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O JA7 5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid +c1cc2c(cc1Br)nc(s2)N JA8 5-bromanyl-1,3-benzothiazol-2-amine +CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl JA9 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O JAA {(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid +c1cnoc1C(=S)N JAB 1,2-oxazole-5-carbothioamide +c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4 JAC 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone +Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O JAD 2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile +c1cc2c(cc1N)scn2 JAE 1,3-benzothiazol-6-amine +Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O JAF n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide +CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F JAG 2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one +c1ccc(cc1)c2ccc(cn2)CN JAH (6-phenylpyridin-3-yl)methanamine +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O JAI n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O JAJ 4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid +Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3 JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O JAL 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N JAN 6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one +CCCCCCCCCCCCCCC[C@H](C)CO JAO (2s)-2-methylheptadecan-1-ol +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4 JAR 6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC JAS jaspisamide a +c1cc(ccc1CCN)S(=O)(=O)O JAT 4-(2-azanylethyl)benzenesulfonic acid +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl JAU 5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3 JAV 4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide +c1cc2c(cc[nH]2)cc1C(=O)N JAW 1~{h}-indole-5-carboxamide +C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2 JAX (e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid +c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F JAY (2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O JAZ 6-phosphocyclophellitol +CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JB1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N JB2 gdp-perosamine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C JB3 gdp-n-acetylperosamine +c1cc2c(cc1N)nccn2 JB5 quinoxalin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N JB6 (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol +CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br JB7 n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +B(c1ccc2cc[nH]c2c1)(O)O JB8 1~{h}-indol-6-ylboronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O JB9 ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide +C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C JBA (2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide +c1cc(cc(c1)C(=O)O)CSc2cccs2 JBB 3-(thiophen-2-ylsulfanylmethyl)benzoic acid +c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O JBC 5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid +c1cc(c(nc1)N)[N+](=O)[O-] JBE 3-nitropyridin-2-amine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F JBF 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid +CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl JBG n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine +c1ccc2c(c1)C(NC=N2)O JBH 3,4-dihydroquinazolin-4-ol +COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5 JBI 9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine +c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6 JBJ (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1cc(c(c(c1)O)N)[N+](=O)[O-] JBK 2-azanyl-3-nitro-phenol +c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O JBL 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid +c1cnoc1C(=O)N JBN 1,2-oxazole-5-carboxamide +Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F JBO 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid +c1cc2c(c(c1)F)C(NC=N2)O JBQ 5-fluoranyl-3,4-dihydroquinazolin-4-ol +c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O JBR 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid +Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6 JBS 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O JBT gdp-n-acetylperosamine-coenzyme a +C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O JBU (4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid +Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N JBW 5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide +C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN JBY (2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid +COc1ccc2c(c1)sc(n2)C(=O)O JBZ 6-methoxy-1,3-benzothiazole-2-carboxylic acid +CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JC1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O JC2 (2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4 JC3 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one +c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O JC4 2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid +COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN JC5 [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O JC6 steviolbioside +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O JC7 n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide +c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JC8 6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide +CN[C@@]1(CCCCC1=O)c2ccccc2Cl JC9 (2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one +Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3 JCB n-(p-toluenesulfonyl)-indole +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O JCD 2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N JCE 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine +Cc1ccc2cc(cc(c2n1)O)C(=O)N JCF 8-hydroxy-2-methylquinoline-6-carboxamide +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C JCG (2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JCH 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5 JCK 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl JCL 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate +COc1cccc(c1)COC(=O)c2c[nH]nc2 JCQ (3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate +c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 JCT biotinylated ruthenium cyclopentadienide +c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JCW 2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide +C[C@H](c1ccccc1)[C@@H](C(=O)O)N JCX (2s,3r)-2-azanyl-3-phenyl-butanoic acid +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F JCY 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine +c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N JCZ 3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine +CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O JD1 [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD2 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N JD3 (2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid +c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 JD5 [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3 JD7 4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD8 5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O JDB 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O JDC (3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4 JDD n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide +COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3 JDE (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O JDF steviol-19-o-glucoside +CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5 JDG 2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine +CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JDH 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO JDJ 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5 JDK 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO JDM 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +B(c1ccc2c(c1)cc[nH]2)(O)O JDN 1~{h}-indol-5-ylboronic acid +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O JDO rebaudioside d +Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N JDP 1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JDQ 3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine +CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N JDR 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O JDS 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol +CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JDT 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDV (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC JDX 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC JE0 (5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN JE1 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one +Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C JE2 (4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide +C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC JE3 (5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N JE4 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4 JE6 ~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide +c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N JE7 5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine +CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JE8 5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO JE9 3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate +C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N JEA 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JEB 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O JED 3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5 JEE 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N JEF o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500) +C1C(CC1(C(=O)O)N)C(=O)O JEG trans-1-aminocyclobutane-1,3-dicarboxylic acid +CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEH 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C JEJ 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5 JEK 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC JEN 3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C JEO (3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEQ 5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4 JER (2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol +COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2 JET [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate +CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO JEU 5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile +CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 JEV n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide +c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N JEW 2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F JEX 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole +CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC JEY n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide +Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4 JF0 1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-( +C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C JF1 (1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C JF2 (1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C JF4 (3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium +c1ccc(cc1)COC(=O)c2c[nH]nc2 JF5 (phenylmethyl) 1~{h}-pyrazole-4-carboxylate +c1ccc(cc1)c2c(non2)N JF6 4-phenyl-1,2,5-oxadiazol-3-amine +c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N JF8 5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile +c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4 JF9 n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide +c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl JFA 1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one +c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N JFB 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C1(=C(NC(=O)NC1=O)N)Br JFD 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione +COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JFE 3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5 JFH 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +CNCc1cccc(c1)Cl JFJ 1-(3-chlorophenyl)-n-methylmethanamine +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 JFK (1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CS(=O)(=O)NCCc1ccccc1 JFM n-(2-phenylethyl)methanesulfonamide +C[C@H](COC)N JFN (2r)-1-methoxypropan-2-amine +CCC(=O)Nc1nc(cs1)C JFP n-(4-methyl-1,3-thiazol-2-yl)propanamide +C1CC(CCC1N)NCCCN JFQ trans-n-(3-aminopropyl)cyclohexane-1,4-diamine +c1ccc2c(c1)ncn2c3ccc(cc3)CO JFS [4-(1h-benzimidazol-1-yl)phenyl]methanol +c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl JFT 3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COC(=O)c1ccccc1Oc2ccc(cc2)N JFV methyl 2-(4-aminophenoxy)benzoate +Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF JFX 4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide +CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C JFY n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O JFZ 4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside +c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3 JG1 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one +c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O JG2 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol +c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N JG3 1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline +c1cc(sc1)c2[nH]ccn2 JG4 2-(thiophen-2-yl)-1h-imidazole +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1 JG5 (2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC JG7 (2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c3c(o2)C(=O)NC=N3 JG8 benzofuro[3,2-d]pyrimidin-4(3h)-one +CCNC(=O)Nc1cc(on1)C JGA n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O JGB (~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide +CN(C)c1ccncc1 JGD n,n-dimethylpyridin-4-amine +C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O JGE (r)-ketoprofen +c1cc(ccc1CNC(=O)N2CCOCC2)C#N JGG n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide +[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] JGH 1:2 ce-substituted keggin +C[C@H](c1ccccc1)NC(=O)COC JGJ 2-methoxy-n-[(1r)-1-phenylethyl]acetamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C JGK ~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN JGM {n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide +Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C JGN [(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol +c1cc2c(cc1C(=O)N3CCCCCC3)OCO2 JGP (azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone +CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C JGQ 4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O JGS 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid +Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br JGT ~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine +c1cc2c(cc1C(=O)N3CCOCC3)NNS2 JGV (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JGW 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one +Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2 JGY 1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N JGZ 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide +CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O JH0 6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester +CCn1cc(cn1)C(=O)NCc2ccc(cc2)F JH1 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide +CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C JH2 methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C JH3 methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +CNc1ncccn1 JH4 n-methylpyrimidin-2-amine +c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3 JH5 1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium +CN1C(=CC(=O)N1)Nc2ccccc2 JH7 1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4 JH8 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide +CC1CCN(CC1)c2ccc(cc2Cl)N JHA 3-chloro-4-(4-methylpiperidin-1-yl)aniline +CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHB 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one +CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl JHC [(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +COc1ccc(cc1OC)CN JHD 1-(3,4-dimethoxyphenyl)methanamine +CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHE 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one +c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N JHG 4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C JHH cyclostreptin +COc1ccc(cc1)NC(=O)Nc2ccncc2 JHJ n-(4-methoxyphenyl)-n'-pyridin-4-ylurea +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4 JHK ~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O JHM 2-deoxy-6-o-sulfo-alpha-d-glucopyranose +c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2 JHN (3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione +Cn1cc(c(n1)C(=O)NC2CCCC2)Cl JHP 4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide +CC(=O)NCC1(CCOCC1)c2ccccc2 JHS n-[(4-phenyloxan-4-yl)methyl]acetamide +CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N JHT 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine +c1cc(c(cc1Cl)N)Nc2ccncc2 JHV 4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine +c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5 JHW 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one +c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O JHY 3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid +C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N JHZ (2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO JI1 3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN JI2 n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl JI3 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F JI4 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F JI5 n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl JI7 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O JIA (2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol +c1c(cc(c(c1F)F)F)O JIF 3,4,5-tris(fluoranyl)phenol +c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O JIL 9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine +CC(=O)OC[C@@H](CO)O JIM (2r)-2,3-dihydroxypropyl acetate +Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C JIN 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO JJ1 n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide +CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O JJ2 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O JJ3 (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +Cc1cnc(s1)NC(=O)CCC2CCCC2 JJ4 3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide +c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl JJ5 1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one +CC(=O)N1CCC(CC1)NCCOC JJ7 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one +c1cc(c(cc1Cn2ccnc2)Cl)Cl JJ8 1-[(3,4-dichlorophenyl)methyl]imidazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4 JJA n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4 JJB n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C JJD 2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid +CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO JJE ~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide +c1ccc(cc1)SCCN2CCOCC2 JJG 4-[2-(phenylsulfanyl)ethyl]morpholine +c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O JJH cadazolid +c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N JJJ s-(pyridin-3-ylcarbonyl)-l-cysteine +c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJK s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine +COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJL s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine +Cc1cccc(c1)Nc2c3cnn(c3ncn2)C JJM 1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3 JJN (6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O JJP (2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C JJQ (3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C JJS 5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile +C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O JJT (2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N JJV (6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile +CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JJW (2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N JJX (4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile +c1c2c(nc3c1C(=O)CCC3)CCCC2=O JJY 3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione +c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl JJZ 4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 JK1 3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F JK2 3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br JK3 5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F JK4 6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F JK5 6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4 JK7 n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide +c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl JK8 (2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine +CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O JKA (1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F JKB (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone +c1ccc(c(c1)C(=O)O)S JKE 2-sulfanylbenzoic acid +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC JKF 6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one +c1cc(sc1)CNCc2ccc(cc2)O JKG 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol +C1[C@@H](CN[C@@H]1C(=O)O)[NH3+] JKH 4-amino-proline +COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O JKJ (1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +c1cc(cc(c1)Cl)CNCCS(=O)(=O)O JKK 2-[(3-chlorobenzyl)amino]ethanesulfonic acid +C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O JKM 1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione +CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O JKN 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one +c1c(cc(nc1Cl)Cl)C(=O)O JKP 2,6-dichloropyridine-4-carboxylic acid +CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JKQ (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid +c1cc(ncc1N2CCCC2)C#N JKS 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile +CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O JKT tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate +c1cc(ccc1c2cc([nH]n2)N)Cl JKV 3-(4-chlorophenyl)-1h-pyrazol-5-amine +CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F JKW 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one +CS(=O)(=O)NCc1ccc(cc1)Cl JKY n-[(4-chlorophenyl)methyl]methanesulfonamide +C1CC2=C(C1)NC(=O)C=C2C(F)(F)F JKZ 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one +Cc1ccc(cc1)Sc2c(cccn2)C(=O)O JL1 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N JL2 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile +Cc1nc(cs1)c2ccc(s2)C(=O)O JL4 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C JL5 (2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F JL7 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O JL8 (2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 JL9 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(ccc1C(=O)O)N2CCCCC2 JLA 4-(piperidin-1-yl)benzoic acid +CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JLB (2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid +CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F JLD [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5 JLE (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(sc1)c2nc(cs2)C(=O)O JLG 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C JLH (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C JLJ 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C JLK (2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +Cc1c2ccccc2oc1C(=O)O JLM 3-methyl-1-benzofuran-2-carboxylic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O JLN 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2 JLO (2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal +Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O JLP (2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O JLS (15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide +C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O JLT 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol +CNC(=S)NC1CCCCC1 JLV n-cyclohexyl-n'-methylthiourea +Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C JLW 3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide +COc1ccc(cc1)C2=NCCc3c2ccs3 JLY 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine +[H]/N=C(/c1ccc(c(c1)F)C)\N JLZ 3-fluoro-4-methylbenzenecarboximidamide +c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+] JM1 fluorinated pyridocarbazole cyclopentadienyl ru(co) complex +[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N JM2 n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N JM4 n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine +[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N JM5 n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N JM6 n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine +[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N JM7 n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N JM8 n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine +c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO JMA 4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol +CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 JMB (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N JMC [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1CCO)C#N JMD 4-(2-hydroxyethyl)benzonitrile +c1ccc(cc1)c2ccc(s2)C(=O)O JMG 5-phenylthiophene-2-carboxylic acid +[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O JMH 3-methylcytidine- 5'-monophosphate +CSc1nnc(s1)NC(=O)c2ccco2 JMJ n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4 JMK 2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone +Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C JMN (3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O JMP 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid +c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O JMQ 7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one +Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl JMS 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid +c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O JMT 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +c1cc(cc(c1)Cl)OCC(=O)O JMV (3-chlorophenoxy)acetic acid +c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl JMW 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO JMY 1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N JMZ 6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine +c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3 JN1 (6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione +c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F JN2 3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C JN3 chenodeoxycholic acid +C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1 JN4 ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4 JN5 (2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile +C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN7 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN8 cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc(cc1)S(=O)(=O)NCc2cccs2 JNA n-[(thiophen-2-yl)methyl]benzenesulfonamide +c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O JNB ~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide +CCc1cc2c(s1)N=CNC2=O JND 6-ethylthieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(n1)NCc2ccccc2 JNE 6-methyl-~{n}-(phenylmethyl)pyridin-2-amine +C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4 JNF n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine +c1cc(ccc1SCC(=O)O)Cl JNG [(4-chlorophenyl)sulfanyl]acetic acid +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N JNH 1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile +c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N JNI ~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine +CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N JNJ 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide +COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F JNK n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide +CCCc1ccc(c(c1O)C(=O)C)O JNM 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one +c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl JNN 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide +CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4 JNO 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide +CC1(CC(=O)c2ccc(cc2O1)O)C JNP 7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one +c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3 JNS 5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N JNT [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate +CC(=O)Cc1ccc(c(c1)Cl)Cl JNV 1-(3,4-dichlorophenyl)propan-2-one +c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O JNW 2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid +CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F JNY 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile +c1ccc2c(c1)c(n[nH]2)N JNZ 1h-indazol-3-amine +Cn1c(ccn1)C(=O)NCc2cccs2 JO1 1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO2 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid +CC(CC(=O)O)C(=O)O JO3 (2r)-2-methylbutanedioic acid +c1ccc(cc1)Oc2ccc(cc2)C(=O)O JO4 4-phenoxybenzoic acid +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JO5 4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C JO7 (1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol +c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO8 3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid +CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC JOA (1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane +c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOB 5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +C1CC2(CCC1N3[C@H]2COC3=O)O JOD (5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one +c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O JOE 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid +c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O JOG (1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide +c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOH 2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione +c1nc(c(n1CC(=S)N)Cl)Cl JOJ 2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide +c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O JOK ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide +c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2 JOM 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione +C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O JON [(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O JOP n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea +c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O JOQ [4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1C(=O)O)F JOR 5-fluoranyl-2-(methylsulfonylamino)benzoic acid +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O JOS (2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate +c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O JOT ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide +CC(C)(CO)NC(=O)c1cccc(c1)Cl JOV 3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide +c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O JOW 4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid +c1cnn(c1)Cc2ccc(cc2)C#N JOY 4-[(1h-pyrazol-1-yl)methyl]benzonitrile +c1ccc2c(c1)CCNC2=O JOZ 3,4-dihydroisoquinolin-1(2h)-one +c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl JP1 n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O JP2 2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid +c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N JP3 2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide +c1ccc(c(c1)CO)N2CCOCC2 JP4 [2-(morpholin-4-yl)phenyl]methanol +c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O JP5 (phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3 JP7 (6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O JP8 [(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPA 4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol +c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl JPB ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide +CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl JPC 3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid +CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O JPD methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate +c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N JPE [(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +CC(=O)c1ccccc1Oc2ccccc2 JPG 1-(2-phenoxyphenyl)ethan-1-one +CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4 JPH 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one +c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPJ 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol +Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O JPK 2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide +c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl JPL 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPM 5-benzyl-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPN 2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O JPP piperacillin (open form) +CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C JPQ ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide +Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C JPR 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea +c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3 JPS (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +c1cscc1CC2=C(C(=O)C=C(O2)CO)O JPT 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O JPV (2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N JPW (4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4 JPY n-(pyren-1-ylmethyl)acetamide +c1ccc2c(c1)C(=O)N=CN2 JPZ quinazolin-4(1h)-one +Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C JQ1 (6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C JQ2 3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O JQ4 (1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +CCOP(=O)(C(=O)CCC(=O)O)O JQ5 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid +c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O JQ7 2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide +c1ccc(cc1)C#CC(=O)O JQ8 phenylpropiolic acid +c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O JQA (4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one +c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JQB 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3 JQD (6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O JQE 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid +CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 JQF 3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O JQG (2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JQH prfmn cofactor and phenylpropiolic acid adduct +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C JQK [(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate +Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 JQN 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C JQP n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C JQQ [(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O JQS 5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N JQT (2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid +C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC JQV mycalolide b +c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl JQW 4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine +Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F JQY n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O JQZ prfmn cofactor and phenylpropiolic acid +c1c[nH]c2c1c(nc(n2)N)N3CCCC3 JR2 4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C JR3 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C JR4 ~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide +Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F JR5 (2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide +Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC JR6 2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide +CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl JR7 n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide +CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C JR8 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide +c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5 JR9 n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O JRA 3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1ccc(c(c1)N)N2CCNCC2 JRB 2-piperazin-1-yl-aniline +CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3 JRD n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide +C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O JRE 6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide +CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O JRG n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRH prfmn cofactor and crotonic acid adduct +c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRK prfmn cofactor and butynoic acid adduct +CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2 JRM methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate +Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C JRN prfmn cofactor and pentafluorocinnamic acid adduct +CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O JRO 6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one +CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C JRQ ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRR 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRS 6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3 JRT 2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O JRV methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside +Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C JRW (1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CCCCCCNC(=O)O JRY hexylcarbamic acid +Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O JRZ (2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol +CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3 JS1 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate +C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1 JS2 5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d- ribofuranose +Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2 JS3 2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N JS4 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS5 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS6 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] JS7 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O JSA 5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine +CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O JSB (1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSC [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSD [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSE [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC JSG (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JSH prfmn cofactor and cinnamic acid adduct +CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C JSJ 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine +[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JSK (2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F JSN (6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide +CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JSP (1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N JSQ 2-fluoro-atp +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSR 6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSS 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl JST but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JSV methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside +Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F JSW [(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone +c1cc(cc(c1)C(=O)O)c2ccc(cc2)O JSX 3-(4-hydroxyphenyl)benzoic acid +CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C JSZ ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate +COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl JT0 2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide +c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6 JT1 (2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide +[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N JT2 4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO JT5 n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide +c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO JT6 3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O JT7 n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide +c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O JT8 (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione +c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O JTA 4-hydroxy-8-nitroquinoline-3-carboxylic acid +c1cc(c(cc1Cl)c2cn[nH]n2)O JTB 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTD n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C JTE (2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid +CC1=Cc2cccc(c2NC1=O)NCCN(C)C JTF 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTG n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +CC(C)C1=CC=C(C(=O)C(=C1)O)O JTH 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTJ n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide +C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O JTK (2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTM n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl JTN 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid +CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3 JTP n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine +Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N JTQ 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine +Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2 JTS 4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2 JTT 2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C JTU 6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTV n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide +c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl JTW 4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O JTY 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC(C)NC[C@@H](COc1ccccc1CC=C)O JTZ (2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU1 n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N JU2 2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU4 n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5 JU5 ~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JU7 6-cyclohexylhexyl beta-d-glucopyranoside +Cn1cc(c2c1cccc2)c3cncnc3N JU8 5-(1-methylindol-3-yl)pyrimidin-4-amine +c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6 JUB [7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JUD n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide +CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3 JUE ~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide +c1cc2c(c(c1)O)C(=O)C=CC2=O JUG 5-hydroxynaphthalene-1,4-dione +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3 JUH (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide +c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N JUJ 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N JUK 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium +c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4 JUM 1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C JUN (2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide +c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N JUO 2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C JUP 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5 JUQ (1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N JUS 2-(2-cyanophenoxy)-5-hexylphenol +c1cc(c(cc1c2csc(n2)N)F)F JUT 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine +c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O JUV (2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +Cn1cc(c2c1cccc2)c3ccnc(n3)N JUW 4-(1-methylindol-3-yl)pyrimidin-2-amine +c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O JUY (2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O JUZ 1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea +CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C JV0 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine +c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3 JV1 (~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O JV2 1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F JV4 6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose +Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3 JV5 ~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide +Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 JV8 ~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O JVA 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol +Cc1ccccc1OCC(=O)Nc2cccnc2 JVB 2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide +C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2 JVD n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide +c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F JVE (4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one +c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O JVH 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5 JVJ 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine +CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl JVK (2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5 JVM 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine +c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O JVN (1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol +c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F JVP 5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide +CCN1Cc2cc3c(cc2NCCC1=O)OCO3 JVQ 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O JVS 1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3 JVT n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4 JVY n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide +c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O JVZ (2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol +B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O JW1 {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid +c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2 JW2 ~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide +B(c1cccc(c1)C(=O)NCc2ccco2)(O)O JW3 (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid +Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2 JW4 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO JW5 6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4 JW7 5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O JW8 {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid +C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O JW9 4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C JWA n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide +C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O JWB 2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid +Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C JWD 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline +c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F JWE 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine +CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl JWF 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCCCCCCC(=O)Nc1ccccc1C(=O)O JWH 2-(octanoylamino)benzoic acid +CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O JWK 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C JWM n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C JWN 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2 JWP n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F JWQ (~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide +COc1ccc(c(c1)c2nc(nc(n2)N)N)O JWS 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F JWT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide +COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO JWV n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CCCCCCCc1c(c(c2ccccc2n1)O)O JWW 2-heptylquinoline-3,4-diol +C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4 JWX (1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine +CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC JWY n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea +[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O JWZ 4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide +Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC JX1 n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide +COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 JX2 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5 JX4 6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine +c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I JX5 (2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid +[H]/N=C(/N)\NCCCC(=O)C(=O)O JX7 5-carbamimidamido-2-oxopentanoic acid +c1cc2c(ccc(c2nc1)O)c3[nH]nnn3 JX8 5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol +c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O JXA (2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol +c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N JXB 9-(4-azidobutyl)-8-bromanyl-purin-6-amine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C JXD 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N JXE 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine +CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O JXG (2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N JXH 8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine +c1nc(c2c(n1)n(c(n2)Br)CCCN)N JXK 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine +c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O JXM (8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCn1c2c(c(ncn2)N)nc1Br JXN 8-bromanyl-9-ethyl-purin-6-amine +c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl JXP 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCCn1cnc2c1ncnc2N JXQ 9-hex-5-ynylpurin-6-amine +Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N JXS 7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCn1c2c(c(ncn2)N)nc1Br JXT 8-bromanyl-9-pent-4-ynyl-purin-6-amine +c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O JXV (1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol +Cc1nc2c(ncnc2n1CCCl)N JXW 9-(2-chloroethyl)-8-methyl-purin-6-amine +Cc1nc2c(ncnc2n1CCO)N JXZ 2-(6-azanyl-8-methyl-purin-9-yl)ethanol +C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C JY 3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol +CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O JY1 bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium +Cc1nc2c(ncnc2n1CCCC#C)N JY2 8-methyl-9-pent-4-ynyl-purin-6-amine +Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC JY4 7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline +c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N JY5 3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol +Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F JY7 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline +CCn1c(nc2c1ncnc2N)C JY8 9-ethyl-8-methyl-purin-6-amine +CCn1c(nc2c1ncnc2N)C#C JYB 9-ethyl-8-ethynyl-purin-6-amine +C([C@@H](C(=O)O)S)C(=O)O JYD (2s)-2-sulfanylbutanedioic acid +c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N JYE 9-(3-azidopropyl)-8-bromanyl-purin-6-amine +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1 JYG 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O JYH 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C JYI 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid +c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4 JYJ {4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone +c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N JYK 9-(2-azidoethyl)-8-bromanyl-purin-6-amine +C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N JYM 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine +c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N JYN 9-(4-azidobutyl)purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N JYP adenophostin a +CC(=O)SCCCCn1cnc2c1ncnc2N JYQ ~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br JYS 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione +c1nc(c2c(n1)n(c(n2)Br)CCCO)N JYT 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol +CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC JYV (2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile +c1nc(c2c(n1)n(c(n2)Br)CCCCO)N JYW 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol +COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO JYY 4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O JYZ (~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccccc1O JZ0 o-cresol +CCc1ccccc1O JZ1 2-ethylphenol +Cc1ccc(cc1O)Cl JZ2 5-chloro-2-methylphenol +COc1ccccc1O JZ3 guaiacol +CCCc1ccccc1O JZ4 2-propylphenol +c1cc(sc1)/C=N\O JZ5 (nz)-n-(thiophen-2-ylmethylidene)hydroxylamine +c1c(cn[nH]1)Cl JZ6 4-chloro-1h-pyrazole +CCO[C@@H]1CCC=CO1 JZ7 (2s)-2-ethoxy-3,4-dihydro-2h-pyran +Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3 JZ8 5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium +c1c[nH]c2c1CCCC2 JZ9 4,5,6,7-tetrahydro-1h-indole +C1COCCN1C(=O)N2CCS2(=O)=O JZA 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine +c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O JZB (5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O JZC (5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZD 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZE 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O JZF ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate +Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O JZG 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O JZH (3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one +c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2 JZI (2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid +c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br JZJ (3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline +c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl JZK 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide +c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl JZL 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide +c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N JZM 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O JZN 1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide +CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4 JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZP (4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZQ (4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O JZR hexyl beta-d-glucopyranoside +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O JZS n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide +CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C JZT (2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N JZU 5'-deoxy-5'-(sulfamoylamino)adenosine +C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F JZV methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5 JZW [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5 JZX 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine +Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C JZY 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine +CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC JZZ 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one +[K+] K potassium ion +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O K00 (2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2 K01 n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C K02 (5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C K03 n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2 K04 (2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) +COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O K05 (e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide +CN(C[C@H]1CCOC1)c2c(cncn2)Cl K07 5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine +CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4 K08 5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4 K09 5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +Cc1c(nc(s1)C)C(=O)N2CCCC2 K0A (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone +c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7 K0B ~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine +C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2 K0D [(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone +c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6 K0E ~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine +c1ccc(cc1)NC(=O)Nc2cccnc2 K0G n-phenyl-n'-pyridin-3-ylurea +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0H methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O K0I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +CCNC(=O)c1c[nH]nn1 K0J n-ethyl-1h-1,2,3-triazole-4-carboxamide +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0K 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid +Cc1cc(cc(c1OCC(=O)O)C)N K0L (4-amino-2,6-dimethylphenoxy)acetic acid +Cc1cc(on1)C(=O)Nc2ccn(n2)C K0M 3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N K0N (~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +CCn1cc(cn1)CNC(=O)c2cccnc2 K0P n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O K0Q ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide +CCCc1nnc(s1)NC(=O)c2ccccn2 K0S n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C K0T (2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid +CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC K0V methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate +[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K0W [(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate +c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F K0X (7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide +Cc1cc(no1)C(=O)NCC(=O)OC K0Y methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br K0Z (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C K10 1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F K11 n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine +C(CCCCCCOP(=O)(O)O)CCCCCO K12 12-hydroxydodecyl dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N K13 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K14 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate +CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O K15 5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine +c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K17 4,5,6,7-tetrabromo-benzimidazole +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 K19 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +Cc1c(c(on1)C)CN2C(=O)SC(=N2)C K1A 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one +c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O K1B (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide +c1[nH]c2c(n1)c(ncn2)N3CCC3 K1D 6-(azetidin-1-yl)-9h-purine +Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N K1E methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate +CC(C)N(C)c1c2cnn(c2ncn1)C K1G n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N K1H methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate +Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C K1J (2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 K1N (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1nc(sn1)N2CCCNCC2 K1P 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC K1Q 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide +C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N K1R (2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid +CCN(CC)c1cc(nc2n1ncn2)C K1S n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN K1T 5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2 K1U (3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid +CC(=O)N1CCC[C@H](C1)C(=O)N K1V (3r)-1-acetylpiperidine-3-carboxamide +c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N K1W 4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +Cc1nc(c(s1)NC(=O)OC)c2ccccc2 K1Y methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N K1Z [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K20 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4 K21 4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine +c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2 K22 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl K23 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid +Cc1ncc(s1)C(=O)NC K24 n,2-dimethyl-1,3-thiazole-5-carboxamide +CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K25 4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C K26 n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N K27 4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K28 [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O K29 (3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO K2A (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C K2B (8alpha,9beta)-cholest-4-en-3-one +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 K2C 6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K2D (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K2E (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +CC(C)c1ncc(c(n1)C(=O)N)Cl K2G 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide +CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O K2H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CNc1nccc(n1)OC K2J 4-methoxy-n-methylpyrimidin-2-amine +c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K2K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3 K2N ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +c1ccc(c(c1)C(=O)O)OC(F)(F)F K2P 2-(trifluoromethoxy)benzoic acid +C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O K2Q (1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid +c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O K2R 3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid +Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C K2S n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide +Cc1ccc2c(c1)sc(n2)N K2T 6-methyl-1,3-benzothiazol-2-amine +c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2 K2U (3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid +C[C@H](c1ccc(cc1)c2cncnc2)N K2V (1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K2W (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K2Y (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate +CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 K2Z benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate +C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F K30 (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +Cc1c(c(n[nH]1)C)c2ccccc2N K31 2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline +c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2 K32 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one +CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O K33 2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose +c1csc(n1)c2[nH]ncn2 K34 5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole +CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO K35 ~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2 K36 (1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K37 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K38 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol +Cc1cc(n[nH]1)NC(=O)C K3A n-(5-methyl-1h-pyrazol-3-yl)acetamide +c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K3B (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol +CCNC(=O)N1CCN(CC1)C(=O)C K3D 4-acetyl-n-ethylpiperazine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N K3E (2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol +O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8 K3G phosphomolybdate keggin +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K3H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CCNc1ccc(nn1)C K3J n-ethyl-6-methylpyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K3K (2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +Cc1ccc(c(c1)F)C(=O)N K3M 2-fluoro-4-methylbenzamide +CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4 K3N 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide +Cn1cc(cn1)Oc2c(cncn2)Cl K3P 5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O K3Q 3,6-o-dimethyl-d-glucose +CCNCc1cn(nn1)C K3S n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine +c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3 K3T 3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2 K3U s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate +COc1ccc2c(c1OC)C(=O)NN=C2 K3V 7,8-dimethoxyphthalazin-1(2h)-one +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC K3W 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide +Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N K3Y 1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide +COc1ccc(cc1)/C=C/C(=O)O K3Z (e)-3-(4-methoxyphenyl)acrylic acid +CC(C)C(=O)Nc1nnn(n1)C K41 2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide +c1cc(ccc1O)OCCN K42 4-(2-azanylethoxy)phenol +C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br K44 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole +CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N K45 4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C K47 [(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone +[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C K4A 1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N K4B 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide +c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F K4D flecainide +COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl K4E n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C K4F 4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide +CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O K4G 3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide +c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N K4H 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide +B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4J (4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O K4K (3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide +B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4M (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid +c1cc(ccc1O)S(=O)(=O)N K4N 4-oxidanylbenzenesulfonamide +B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O K4P 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +CCCCCCCC(=O)OC[C@@H](C=O)N K4Q [(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate +B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O K4S (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid +Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3 K4T ~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(=O)Oc1ccc(cc1)[N+](=O)[O-] K4V 4-nitrophenyl acetate +CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O K4W 4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol +COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N K4Y 4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+] K4Z 3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N K51 4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile +C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K52 ~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5 K53 (5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5 K54 (5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O K55 (2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O K56 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O K57 (4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide +C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3 K58 4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N K5A 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide +C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O K5B 4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N K5C 4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide +c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O K5D 2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2 K5E (4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione +c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O K5G 4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide +C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O K5H (2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O K5J 4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl K5K 2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid +C([C@H](C(=O)O)N)OC(=O)CC(=O)O K5L (2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O K5M 4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K5N 2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide +CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC K5P (3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid +c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O K5Q (2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5 K5S [(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N K5T (2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid +c1cc(cc(c1)O)N K5V 3-aminophenol +c1cc(c(c(c1)S(=O)(=O)N)F)F K5W 2,3-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O K5Y salmeterol +[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5 K60 5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5 K62 (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide +Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C K64 3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide +[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N K65 ~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide +CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K66 [4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid +CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C K67 n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) +c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K68 (4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid +[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N K6B 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O K6G [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate +C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl K6H (2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid +CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC K6K 3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F K6M n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide +[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N K6N 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide +CC(C)(C)NCCCNC(=O)c1cccc(c1)I K6P n-[3-(tert-butylamino)propyl]-3-iodobenzamide +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F K6Q 4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine +CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C K6S n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide +[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N K6T 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide +CCCC(=O)N[C@@H](C)CO K6V n-[(2s)-1-hydroxypropan-2-yl]butanamide +[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N K6W 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide +c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br K6X 3,4,5,6,7-pentabromo-1h-indazole +Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O K6Y (5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N K6Z 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide +c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO K70 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium +CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O K71 3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F K72 1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N K73 (2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide +CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br K74 n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide +CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC K75 (8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F K76 (2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one +CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2 K78 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol +c1c(nc(c(n1)C(=O)O)C(=O)O)O K7A 5-hydroxypyrazine-2,3-dicarboxylic acid +c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O K7D 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid +S[Cu]S([Cu])([Cu])[Cu] K7E sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper +Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N K7F 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide +c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2 K7G thiapronil +CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N K7H ~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O K7I l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O K7J n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O K7K 2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal +C[C@H](Cc1ccccc1)NO K7M (2r)-n-hydroxy-1-phenylpropan-2-amine +[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N K7Q ~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide +Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F K7S n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K7V neo-inositol pentakisphosphate +CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl K7Z (2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid +Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O K80 (2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol +Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F K81 n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide +CCCOc1ccc(cc1Cl)CN K82 1-(3-chloro-4-propoxyphenyl)methanamine +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC K83 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2 K84 (9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one +CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F K85 propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC K86 4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide +Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C K87 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide +CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2 K88 (3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide +c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F K89 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide +c1c(cncc1Br)c2n[nH]nn2 K8A 3-bromo-5-(2h-tetrazol-5-yl)pyridine +C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C K8B 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine +CNc1ccc(c(c1)C(=O)O)C(=O)O K8D 4-(methylamino)benzene-1,2-dicarboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O K8G 4-nitrobenzene-1,2-dicarboxylic acid +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O K8H (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol +c1cc(c(cc1F)C(=O)O)C(=O)O K8J 4-fluorobenzene-1,2-dicarboxylic acid +c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F K8K ~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide +c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl K8M (3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br K8N (1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol +C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O K8P [(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate +c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I K8Q 4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4 K8S (3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O K8T 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide +c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O K8V 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid +[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide +c1[nH]c2c(n1)c(c(c(c2I)I)I)I K8X 4,5,6,7-tetraiodo-1h-benzimidazole +c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O K8Y 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid +c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl K91 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol +[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +CC(C)(C[C@@H](C(=O)O)N)C(F)F K94 4-(difluoromethyl)-l-leucine +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C K95 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3 K97 3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O K99 (2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N K9A 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O K9B (4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O K9H {2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid) +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O K9J 1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O K9K (10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide +c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4 K9L (1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5 K9M 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C K9P 1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one +c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O K9Q (2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c(cs2)CN K9S 1-(1-benzothiophen-3-yl)methanamine +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4 K9T 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate +c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F K9V n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N K9W (2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N K9Y 1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N K9Z (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4 KA2 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol +c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F KA4 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide +COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC KA5 5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine +COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F KA7 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N KA8 (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N KAA 5'-o-[(l-lysylamino)sulfonyl]adenosine +C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O KAB kabiramide c +c1ccc(cc1)C(=O)NCCCC(=O)O KAC 4-(benzoylamino)butanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O KAF n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine +C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 KAG 2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate +C[C@H]([C@@H](CCC(=O)O)O)N KAH 5-amino-4-hydroxyhexanoic acid +CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O KAI 3-(carboxymethyl)-4-isopropenylproline +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N KAK 3'-deoxy-guanosine-5'-monophosphate +C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O KAL kalimantacin +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O KAM n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N KAN kanamycin a +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4 KAO 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea +C[C@@H](C(=O)CCCCCC(=O)O)N KAP 7-keto-8-aminopelargonic acid +CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN KAQ (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O KAR 3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine +B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O KAS 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid +c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 KAT (4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5 KAV n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide +c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4 KAW n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan +Cc1ccc(c(c1)C(=O)O)C(=O)O KAY 4-methylbenzene-1,2-dicarboxylic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O KAZ 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O KB0 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol +c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F KB1 5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine +CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3 KB2 (3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl KB4 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1nc(c2c(n1)[nH]c(n2)S)N KB5 6-azanyl-9~{h}-purine-8-thiol +CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O KB7 5'-o-(ethylcarbamoyl)guanosine +Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3 KB8 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O KBA 2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside +c1cc(c(cc1F)S(=O)(=O)N)F KBB 2,5-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBD 5'-o-(benzylcarbamoyl)guanosine +C(C[C@@H](CC(=O)O)N)CN KBE beta-lysine +c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O KBF 3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide +C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O KBG beta-d-arabino-hexopyranos-2-ulose +c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F KBH 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid +c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F KBI trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol +c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBJ 5'-o-[(2-phenylethyl)carbamoyl]guanosine +CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O KBK [(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid +COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl KBM (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone +c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S KBN 2-(trifluoromethyl)-9~{h}-purine-6-thiol +CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O KBP s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate +c1c[nH]c2c1C(=O)NC(=S)N2 KBQ 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO KBR icaridin +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC KBS 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid +CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KBT 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N KBV (3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid +[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O KBW re4(mu3-oh)4(co)12 +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC KBY n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine +c1cc(ccc1C#N)S(=O)(=O)N KBZ 4-cyanobenzenesulfonamide +CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C KC1 chlorophyll c1 +Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O KC2 chlorophyll c2 +CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F KC4 n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide +COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O KC5 (4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O KC6 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid +c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO KC7 (1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 KC8 2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one +CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F KCA methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O KCD 7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide +C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN KCE [(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane +c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O KCH 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +c1c(ncs1)C[C@@H](C(=O)O)N KCJ 3-(1,3-thiazol-4-yl)-l-alanine +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N KCM n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine +O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6 KCO co-substituted beta-keggin +CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O KCP 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC(=O)[C@H](C[C@@H]1CCNC1=O)N KCQ (3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one +C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N KCR n-6-crotonyl-l-lysine +C(=S)(S)S KCS carbonotrithioic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O KCT (5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid +C(CCNC(=O)O)C[C@@H](C(=O)O)N KCX lysine nz-carboxylic acid +C(CS)[C@H](C(=O)O)N KCY d-homocysteine +C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2 KCZ 4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O KD0 3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O KD5 4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4 KD7 n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide +Cc1c(nc2c(n1)C(=O)NC(=S)N2)C KD8 6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O KDA prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid +C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O KDB 3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid +C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O KDD 2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O KDE prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid +C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O KDF 3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid +C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O KDG 2-keto-3-deoxygluconate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O KDH (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N KDI 3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KDJ (1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid +[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N KDK 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC KDL (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDM deamino-alpha-neuraminic acid +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDN deamino-beta-neuraminic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O KDO 3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid +C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O KDP 2-keto-deoxy-galactose +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl KDQ (2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O KDR prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F KDS 4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3 KDT n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)cc(cn2)C#N KDV quinoline-3-carbonitrile +Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C KDW ~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide +c1cc(c2cc[nH]c2c1)CCN KDY 2-(1h-indol-4-yl)ethan-1-amine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KDZ (3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KE1 meropenem, bound form +Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KE2 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O KE4 (4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O KE5 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C KE7 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide +CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C KE8 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F KE9 (e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-] KEA 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEB (3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O KED [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4 KEE (1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O KEF cefuroxime (oct-3-ene form) +O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12 KEG 12-tungstophosphate +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O KEH (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4 KEJ n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl KEK (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO KEL n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O KEM (3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate +CN(C)C KEN n,n-dimethylmethanamine +C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN KEO e(r)-beta-lysyl-hydroxylysine +Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4 KEP n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEQ (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione +c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl KES n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O KET 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O KEU n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid +Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C KEV n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O KEW (3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4 KEY n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide +C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEZ 3-acetylene dicyclotyrosine +COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 KF1 n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O KF2 [(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid +COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 KF4 n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N KF5 9-[(2~{s})-oxan-2-yl]purin-6-amine +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O KF7 [(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O KFA [(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C(CCN)CC(=O)O KFB 5-aminovaleric acid +c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6 KFD n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide +C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O KFE (2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide +COP(=O)(O)OC KFG dimethyl hydrogen phosphate +c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KFH 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-] KFJ 4-(4-nitrophenyl)-l-threonine +Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C KFK 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O KFN 2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid +c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N KFP n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine +c1ccc-2c(c1)NC(=O)c3n2c(nn3)S KFQ 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O KFS [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid +CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O KFT (2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide +CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KFV [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +C1C[C@H]([C@@H](NC1)CO)O KFW (2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol +C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC KFY 9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine +CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O KFZ 2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O KG1 propadienyl 6-deoxy-alpha-l-galactopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N KG4 5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4 KG5 (2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol +C/C(=N\O)/C(=O)O KG7 (2e)-2-(hydroxyimino)propanoic acid +c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O KG8 (5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGA [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O KGB (2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol +C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N KGC n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C KGD beta,psi-caroten-4-one +C1C=C[C@H]([C@@H](N1)CO)O KGE (2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol +COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4 KGG (3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine +C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O KGH (1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGJ [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KGK 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O KGM heptyl alpha-d-mannopyranoside +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KGN d-chiro inositol hexakisphosphate +C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O KGP (2r)-sulfonatepropionyl-amino(dethia)-coa +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC KGQ diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] KGR 5-keto-4-deoxyglucarate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O KGT n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine +CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C KGU ~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N KGV 3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 KGW 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide +CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO KGY 4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide +c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5 KGZ 1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O KH1 5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol +C[N+]1(CCCCC1)CCCS(=O)(=O)[O-] KH2 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate +CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KH3 5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O KH4 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate +c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH5 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH8 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO KHA 1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium +C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O KHB n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4 KHC (4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile +CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N KHD n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide +c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KHE 1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 KHG (1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N KHH methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate +C[n+]1ccc(cc1)c2cc[n+](cc2)C KHJ 1,1'-dimethyl-4,4'-bipyridin-1-ium +c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36 KHK ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine) +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O KHM (1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid +c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12 KHN ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine) +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O KHP 4-nitrophenyl alpha-l-arabinofuranoside +C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F KHQ 1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one +CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F KHS n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide +c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F KHT ~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide +CCC[C@H](c1nnnn1Cc2ccccc2)NN KHW [(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane +Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O KHY (s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol +C(c1[nH]nnn1)NN KHZ 1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane +c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl KI1 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2 KI2 3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid +Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O KI3 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol +Cc1cc(nc(n1)SCCO)C KI5 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol +c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl KI9 2,3,4,6,8-pentachloro-9h-carbazol-1-ol +COC1=CC(=O)C=C(C1=O)OC KIA 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione +COc1cc(cc(c1O)OC)O KIB 2,6-dimethoxybenzene-1,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O KIF kifunensine +c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-] KIJ 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid +C=CC(=O)[C@H](CO)N KIK (4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one +Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC KIM n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F KIN 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3 KIQ (1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O KIR kirromycin +c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O KIU 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid +CC(C)C(=O)C(=O)O KIV 3-methyl-2-oxobutanoic acid +c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O KIW 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid +CCCCCCCCC(=O)NCCCCCCCC(=O)N KJ1 n-(8-amino-8-oxooctyl)nonanamide +c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN KJ2 4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol +[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N KJ4 n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine +CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KJ5 4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1ccc(cc1)C[C@H]2CN=C(N2)N KJ7 (5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine +CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJ8 n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide + KJB 3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one +c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N KJD 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide +CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC KJE 18-carboxymethoxy-cleaviminium +c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O KJG 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione +C=C1c2ccccc2C=CC1=O KJH 1-methylidenenaphthalen-2-one +Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6 KJJ (2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O KJK (3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C KJL archazolid a +[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N KJM 1-(3-chlorophenyl)cyclobutane-1-carboximidamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl KJP 3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJQ (2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol +CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJR n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide +CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C KJS 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole +CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC KJT diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium +c1cc2c(cc1Cl)NC(=O)CO2 KJU 6-chloro-2h-1,4-benzoxazin-3(4h)-one +CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJV 4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide +CC(C)[C@@H]([C@H](C(=O)O)N)O KJW (d)3-hydroxy-leucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C KJX (2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol +Cc1cc(c(c(c1C=O)O)C)O KJY 2,4-dihydroxy-3,6-dimethylbenzaldehyde +c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl KJZ [(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid +CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC KK1 6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine +c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C KK4 3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one +O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4 KK5 zn-substituted alpha-keggin +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F KK6 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile +Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3 KK7 n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5 KK8 n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide +CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C KK9 n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O KKA (2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)O KKD n-acetyl-l-aspartic acid +[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O KKE 1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea +c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl KKF 8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O KKG (4-oxoquinazolin-3(4h)-yl)acetic acid +B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O KKH 1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea +CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O KKJ (2s,3r)-2-hexyl-3-hydroxynonanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KKK 1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N KKL 4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide +C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKM 7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=C2C=COC=C2OC1=O KKN 3-methyl-2h-furo[2,3-c]pyran-2-one +CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKP 7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F KKQ [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone +CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C KKR 1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione +c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5 KKS 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N KKT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide +c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O KKV 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C KKY 6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl KKZ [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C KL1 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N KL2 adenosine-2',3'-vanadate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3 KL4 6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O KL5 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea +Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F KL7 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine +[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KL8 (3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F KLA 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N KLB 5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F KLD 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1ccc(s1)c2ccccc2)/N KLE 5-phenylthiophene-2-carboximidamide +c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLG n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide +c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO KLH n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6 KLI 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one +COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLJ n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide +Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O KLK ~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O KLM 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KLN 1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C KLP n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide +c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F KLQ bictegravir +CNC(=O)NC(=N)Nc1ccccc1 KLS 1-methyl-3-(n-phenylcarbamimidoyl)urea +c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O KLT 2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide +CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O KLV 4-methylumbelliferyl phosphate +c1ccc(c(c1)C(=O)N)C(=O)O KLW 2-carbamoylbenzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC KLY 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N KLZ 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)COc2ccc(c3c2nccc3)Cl KM0 8-(benzyloxy)-5-chloroquinoline +c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl KM1 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline +[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N KM2 7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 KM3 {n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC KM5 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C KM7 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N KM8 ~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3 KMA 6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN KMB 2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C KMD 6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O KME (1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C KMG n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide +C[C@@H](CC(=O)CC(=O)O)N KMH (5s)-5-amino-3-oxo-hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F KMJ 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N KMK methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F KMM 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3 KMN 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol +c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O KMP 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O KMQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C KMS 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CSCCC(=O)C(=O)O KMT 4-(methylsulfanyl)-2-oxobutanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC KMV 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N KMW 3-(4-aminocarbonylphenoxy)benzamide +c1ccc2c(c1)c(c(s2)C(=O)NO)Cl KMY 3-chlorobenzothiophene-2-carbohydroxamic acid +c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O KN0 4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O KN1 4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O KN2 4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol +CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C KN3 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C KN4 6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC KN9 n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide +CCCCCCCCC(=O)O KNA nonanoic acid +CS(=O)(=O)C[C@@H](C(=O)O)N KNB 3-(methylsulfonyl)-l-alanine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N KNC kanamycin c +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C KND 6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O KNG kanglemycin a +CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O KNH myxovirescin a +CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O KNI (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N KNJ (4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide +c1cc(c(c(c1)Cl)OCC(=O)O)Cl KNL (2,6-dichlorophenoxy)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2 KNM ada-(ahx)3-(leu)3-vinyl sulfone +Cc1ccccc1CN KNN 1-(2-methylphenyl)methanamine +c1cc(c(c(c1)F)OCC(=O)O)F KNP (2,6-difluorophenoxy)acetic acid +CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C KNS 6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5 KNT pranlukast +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C KNV 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F KNW (2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F KNZ (2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid +C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O KO1 d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid +C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O KO2 prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid +[OH2][K]([OH2])([OH2])[OH2] KO4 potassium ion, 4 waters coordinated +Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F KO5 (2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid +c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F KOB 2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide +c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOE (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O KOH 3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid +C1=C(OC=C(C1=O)O)CO KOJ 5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one +c1ccc2c(c1)CCN2C(=O)n3ccnn3 KOK (2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KOL (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O KOM 7,8-dihydroxy-4-phenyl-2h-chromen-2-one +c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KON (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +COP(=O)(O)O KOP methyl dihydrogen phosphate +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KOQ (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N KOR l-homocysteine-s-n-s-l-cysteine +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC KOS 17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin +c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KOT 1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O KOU (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O KOV (6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O KOW (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O KOY 5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine +c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOZ (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(CC(C)(C)O)O KP1 2,4-dimethylpentane-2,4-diol +c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N KP2 5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2 KP3 5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine +c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KP5 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(c(n(n1)C)C)CCO KP6 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol +c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KP8 (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C(CC(=O)C(=O)O)CP(=O)(O)O KPA 2-oxo-5-phosphonopentanoic acid +c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F KPB (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(=O)CSCCS(=O)(=O)O KPC (2-[2-ketopropylthio]ethanesulfonate +C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N KPF n-(1-carboxy-2-fluoro-ethenyl) lysine +C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O KPG [(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate +C(CCN)C[C@H](N)P(=O)(O)O KPH [(1r)-1,5-diaminopentyl]phosphonic acid +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O KPI (2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C KPJ 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O KPK 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid +CC(C)(CO)C(=O)C(=O)O KPL ketopantoate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O KPM 2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose +c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O KPN n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine +C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F KPQ 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide +C[C@@H](C(=O)/C=C/OP(=O)(O)O)N KPR [(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate +C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O KPS pseudouridine 5'-phosphate, linear +c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 KPT 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium +c1ccc(cc1)CCCC(=O)C(=O)O KPV 5-phenyl-2-keto-valeric acid +Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N KPW 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide +C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O KPY (2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid +Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5 KQ7 n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide +C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O KQ8 (2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid +[O][Mg](F)(F)F KQB trifluoromagnesate monohydrate +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1 KQD (3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de} +c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4 KQE 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine +CN(C)c1nccc(n1)c2cnn3c2cccn3 KQK ~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N KQP 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide +CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C KQQ 3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F KQS (3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide) +COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6 KQT berberine +CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6 KQV [(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) +CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4 KQW ~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C(CCC(=O)N)CCN KQY 6-aminohexanamide +CN(C)c1nccc(n1)c2c[nH]c3c2cccn3 KQZ ~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +[Kr] KR krypton +CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC KR0 3-decanoyloxypropyl decanoate +Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N KR1 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile +c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N KR2 (2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl KR4 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol +Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C KR5 4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide +c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O KR7 (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid +CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4 KR8 ~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O KRA kurasoin a +c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3 KRB kurasoin b +CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC KRC (9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl KRD 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide +COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 KRE ~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide +CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C KRG 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C KRH 5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N KRI (s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid +c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N KRJ 4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide +c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F KRK 3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine +CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N KRL 5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide +c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4 KRM 4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine +Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O KRO 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRP 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile +CNc1nccc(n1)c2cnn3c2cccn3 KRQ ~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O KRS cladosporin +B(c1cccc(c1)/C=C/C(=O)O)(O)O KRT (~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid +CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRV 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3 KRW 2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol +COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KRX 6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N KRY 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide +c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I KRZ (2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N KS1 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KS2 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KS3 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol +COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N KS4 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N KS5 1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC KS7 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane +c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O KS8 fosinoprilat +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O KSA k-252a +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N KSB lambda-[ru(tap2-dppz-cn]2+ +Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4 KSC 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC KSD n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine +Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N KSE 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl KSF n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N KSG (1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside +CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO KSH 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O KSJ [(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N KSK 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C KSL n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl KSM n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine +C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N KSN (2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O KSP [(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4 KSR 6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine +CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC KSS 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine +c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N KST n~6~-(5-carboxy-3-thienyl)-l-lysine +CCOP(=O)(O)OC[C@@H](CO)O KSV (2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate +CC1=CC=CC1=O KSW 2-methylcyclopenta-2,4-dien-1-one +c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O KSY 4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC KSZ ~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate +COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O KT1 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O KT2 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O KT3 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O KT4 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O KT5 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(cc1O)C(=O)NC2=O KT7 5-hydroxy-1h-isoindole-1,3(2h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N KT8 2'3'-cyclic-gmp-2'f-2'damp +C1C[C@@H](CC(=O)C1)CC(=O)O KTA (s)-cyclohexanone-2-acetate +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O KTB neugc gm3 +CCCCCCCCC(=O)CCCCCCCCC(=O)O KTC 10-oxooctadecanoic acid +c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3 KTD 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O KTE (2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol +c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O KTG 4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1csc(n1)C=O KTH 2-ketothiazole +c1cc(ccc1c2c[nH]nc2N)O KTJ 4-(3-amino-1h-pyrazol-4-yl)phenol +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O KTK 4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O KTL (1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O KTM 4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KTN cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine +c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4 KTO (2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal +c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O KTP (2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid +COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-] KTQ ~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine +c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O KTR (1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid +C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O KTU prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid +c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O KTV 4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +[H]/N=C(\c1cc2c(s1)cccc2Cl)/N KTW 4-chloranyl-1-benzothiophene-2-carboximidamide +CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4 KTZ n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O KU0 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O KU1 n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU2 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide +CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O KU4 2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU5 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O KU7 2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F KU8 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O KU9 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O KUA {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone +C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F KUB 4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O KUD [(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4 KUE ~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1ccc2c(c1)C(=O)NC=C2 KUF 7-methyl-2h-isoquinolin-1-one +c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O KUG [(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC KUH ~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C KUJ (3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione +c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O KUK (2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid +COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4 KUM [2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N KUN (~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid +COc1ccc(cc1OC)Cc2cnc(nc2N)N KUP 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine +c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KUQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O KUT kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N KUV 5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N KUY 5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC KV1 n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide +c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl KV4 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine +c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KV5 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6 KV9 7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F KVB 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F KVC (5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile +c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O KVD 5-(phenylethynyl)pyridine-3-carboxylic acid +c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVE (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVH (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C KVI (2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide +CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide +C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O KVM [(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid +c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVN (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol +C[N+](C)(C)C[C@H](O)P(=O)(O)O KVP (2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O KVS n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide +Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C KVT ~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +C[N+](C)(C)CCP(=O)(O)O KVV n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVW (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol +CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N KVY 4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O KVZ 2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide +Cc1c(c(no1)NC(=O)CSCC(=O)O)Br KW1 ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid +C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O KW5 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide +COC(=O)c1c(c(c[nH]1)c2ccccc2F)N KW7 methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate +CC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KW8 (1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl KWA 1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine +c1cc(c(cc1C2CCCCC2)C(=O)[O-])O KWB 5-cyclohexyl-2-hydroxybenzoate +c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl KWD 2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide +c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4 KWE 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione +c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O KWG 3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid +CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWH (1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C KWJ (7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC(C)CCNCCc1c[nH]c2c1cccc2 KWK ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine +Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O KWM [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C KWN (1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid +c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl KWP ~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide +CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWQ (1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O KWS {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C KWT (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate +CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl KWV ~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN KWW 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4 KWY 4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide +c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3 KWZ 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile +c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3 KX1 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC KX2 (4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KX5 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid +c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O KX7 icilin +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O KX8 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid +Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN KXA 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN KXB 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KXE 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N KXG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate +CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN KXH ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate +CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO KXJ n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O KXK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O KXM [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O KXN (2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KXO 6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC KXP (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate +c1cc2cc[nH]c2c(c1)C(=O)O KXQ 1~{h}-indole-7-carboxylic acid +C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C KXS (1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide +c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4 KXT 2,6-diphenylimidazo[1,2-a]pyridine +Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C KXU 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide +COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KXV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid +c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KXW (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O KXZ 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid +c1ccc(c(c1)C(=O)CCC(=O)O)N KY1 4-(2-aminophenyl)-4-oxobutanoic acid +[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KY2 1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine +CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC KY3 (1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid +c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O KY4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY5 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O KY7 {(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY8 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1ccc2c(c1)c(cc(n2)C(=O)O)O KYA 4-hydroxyquinoline-2-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYB 1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine +Cc1c(c(n[nH]1)C)C(=O)O KYD 3,5-dimethyl-1h-pyrazole-4-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYE (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid +C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O KYG (1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] +[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYH 1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine +c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N KYJ (2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYK n6-benzyl-(alpha,beta)-methylene-adp +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O KYM (2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N KYN (2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O KYP 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide +C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N KYQ (e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl KYS n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii) +CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C KYT (3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii) +c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O KYV 2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide +CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYW (n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O KYY 2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide +CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC KYZ ~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZ1 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2ccsc2c(c1)C(=O)O KZ2 1-benzothiophene-7-carboxylic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O KZ4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O KZ5 (2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O KZ7 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4 KZ8 ~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2 KZ9 (s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one +C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1 KZB (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol +C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O KZE [(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O KZG {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid +CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O KZH (13-oxo-9(z),11(e),15(z)-octadecatrienoic acid) +COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N KZI 5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide +CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N KZJ 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4 KZK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide +CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC KZL 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide +COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N KZM 5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4 KZN ~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N KZP 5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4 KZQ (4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC KZS n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine +COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4 KZT ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O KZV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZY {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3 KZZ 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N L00 (2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O L01 3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide +c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl L02 4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine +CSc1[nH]c(nn1)c2ccc(cc2)Cl L03 3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole +CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O L04 6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid +COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4 L05 1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione +C(C[C@@H](CS)C(=O)O)CNC(=N)N L06 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid +CCCc1nc2c(s1)c3ccccc3nc2N L07 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine +CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C L08 1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine +CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl L09 n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea +C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 L0A digitonin +CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O L0B alpha-lobeline +c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F L0C 4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium +c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3 L0D 2-(1h-pyrazol-3-yl)-1h-benzimidazole +c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5 L0E 4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0F n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5 L0G 2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0H n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5 L0I 4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3 L0J n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4 L0K ~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6 L0M n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C L0N ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5 L0P n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C L0Q ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3 L0R 1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone +CCN(CC)/C(=N/[P@@](=O)(C)OC)/C L0S methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate +CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O L0T 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC L0W lipopolysaccharide fragment +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4 L0Y 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C L0Z 4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide +CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3 L10 n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea +c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F L11 n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro- +c1ccc2c(c1)c(c[nH]2)CCc3ccncc3 L12 3-(2-pyridin-4-ylethyl)-1h-indole +Cc1ccccc1C2=NNC(=S)N2N L13 4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione +C1CC(CCC1C(=O)O)C(=O)O L14 trans-cyclohexane-1,4-dicarboxylic acid +Cc1c(c[nH]n1)c2ccc(cc2)CCN L15 2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine +C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl L17 l17 +C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2 L18 (2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine +COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 L19 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid +CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O L1A n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide +CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC L1B 7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium +c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl L1C (2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide +c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O L1D (2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide +Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl L1E n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N L1G n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O L1H 3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O L1K ~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O L1L 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +CCN(CC)/C(=N/[P@H](=O)OCC)/C L1M ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate +c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O L1O 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L1P 3-phosphoryl-[1,2-di-phytanyl]glycerol +CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F L1Q 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide +CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl L1R 4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide +COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N L1S methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate +[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide +c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L1V 4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7 L1W ~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C L1X n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O L1Y 4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6 L1Z ~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N L20 (2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +CC(=CCn1cnc(c-2ncnc12)N)C L21 3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine +c1cnc(nc1c2csc(n2)N)N L22 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine +Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N L23 4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine +c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O L24 [[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O L25 ~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C L26 4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 L27 {1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N L28 n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide +CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 L29 n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) +CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O L2A (2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O L2B 3'-deoxyuridine-5'-monophosphate +CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC L2C (2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate +C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5 L2D {2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron +CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C L2E (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N L2G n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C L2H (12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione +c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F L2J n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide +c1cc(c(cc1C2=NNC3=NCCN3C2)F)F L2K 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine +C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7 L2M {(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O L2N ~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CC(C)C[C@H]([C@@H](C(=O)O)O)N L2O (2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L2P 2,3-di-phytanyl-glycerol +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6 L2Q [(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate +Cc1ccc(cc1)SCC(=O)N2CCCCC2 L2S 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine +Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 L2T 4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O L2W ~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCN(CC)/C(=N/[P@](=O)(C)F)/C L2Y (s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O L2Z ~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +c1ccc2c(c1)cccc2NC(=O)c3cccnc3 L30 n-(naphthalen-1-yl)pyridine-3-carboxamide +Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O L31 3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol +c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br L32 {[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C L33 4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O L34 4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid +CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl L35 2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid +CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC L36 ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N L37 [[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid +C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI L39 (3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione +C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O L3A (2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid +Cc1ccccc1C2=NC(=S)N=N2 L3B 5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione +Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C L3D (2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F L3E 4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N L3G n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3 L3H [(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate +CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C L3J (e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide +c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3 L3L 3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide +CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O L3M (3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CC(C)C[C@@H]([C@@H](C(=O)O)O)N L3O (2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L3P 2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate +C1CN2[C@@H](CN1)COC2=O L3Q (8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one +Cc1ccc(c(c1)O)[N+](=O)[O-] L3S 5-methyl-2-nitrophenol +Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4 L3T n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N L3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)Nc1ccc(cc1)CO L3V n-[4-(hydroxymethyl)phenyl]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N L3W [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CS(=O)(=O)c1ccc(cc1)C=O L3Y 4-(methylsulfonyl)benzaldehyde +c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2 L3Z 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C L40 4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide +CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O L41 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3 L43 3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC L44 (2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O L45 ~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)NC)C)C(=O)C L46 4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O L47 3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol +C(CO)c1c(nc(o1)CCO)C(=O)O L4A 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid +C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C L4B (4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid +CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O L4C (2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid +C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4 L4D {(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C L4E geranylgeranyl dihydroxybenzoate +CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O L4G 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol +CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C L4H farnesyl dihydroxybenzoate +CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1 L4J n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CCCCCc1ccc(cc1)S(=O)(=O)N L4K 4-pentylbenzenesulfonamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L4M 4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L4P 3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol +CCCCCCc1ccc(cc1)S(=O)(=O)N L4Q 4-hexylbenzenesulfonamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O L4S 2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L4T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide +CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O L4V 13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione +CCCCCOc1ccc(cc1)S(=O)(=O)N L4W 4-pentoxybenzenesulfonamide +C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1 L4Y (5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n(n1)C)CNC(=O)O L4Z (2,5-dimethylpyrazol-3-yl)methylcarbamic acid +Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L50 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N L51 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO L52 n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O L53 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O L54 {(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C L55 n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L56 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid +c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl L57 ({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O L58 4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O L59 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O L5A (4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF L5B 6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C L5C n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)c2cccc(c2)C(=O)O L5D 3-(3-methylphenyl)benzoic acid +c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br L5E [(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5 L5G 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline +c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4 L5H ~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide +c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O L5J (4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O L5K ~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide +c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O L5N 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid +C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N L5P (2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid +Cc1cc(no1)C(=O)NCC(F)(F)F L5Q 5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide +Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4 L5S 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L5T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide +c1c(nc(cn1)Cl)c2nc[nH]n2 L5V 2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine +C1CC2(CCC1C2)C(=O)NO L5W ~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide +c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO L5Y 2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol +c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4 L5Z (1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +C1CNC(=O)NC1 L60 1,3-diazinan-2-one +CC(C)COC(=O)N[C@H](CC=O)c1ccccc1 L61 2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2 L62 cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O L63 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7 L64 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea +Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O L66 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O L67 {(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O L68 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid +CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O L69 [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid +COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O L6B methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate +c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2 L6C phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O L6E [2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L6G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione +C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 L6H [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C L6I (3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid +COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O L6J [(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid +CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O L6K (2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O L6M 5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine +c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N L6P 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O L6S 6-o-sulfo-alpha-l-galactopyranose +CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O L6T alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside +c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N L6V n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide +c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O L6Y 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione +CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN L71 (3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione +c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl L74 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5 L75 n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F L76 1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F L77 2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide +CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C L79 (s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid +c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3 L7A n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide +c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O L7D 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L7G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC L7H ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F L7J 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole +c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN L7K [(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C L7M 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O L7N (~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium +CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 L7O n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide +c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O L7P 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol +CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N L7S 3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F L7T 2,3,4,5,6-pentafluorobenzenesulfonamide +c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4 L7Y 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one +c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F L80 (3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol +CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C L81 1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O L84 (1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O L85 4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid +c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl L86 (11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C L87 8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6 L88 (4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid +c1cncc(c1N)N L89 pyridine-3,4-diamine +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F L8A 1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O L8B (4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO L8C n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC L8D (5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L8G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +COc1cc(cc2c1cccc2)N L8H 4-methoxynaphthalen-2-amine +CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F L8I 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one +c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br L8J [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C L8M n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N L8N phenyl-(4-sulfamoylphenoxy)phosphinic acid +C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O L8P ({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid +COc1ccc(cc1O)[N+](=O)[O-] L8Q 2-methoxy-5-nitro-phenol +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O L8S 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione +c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F L8V 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C L8W (+)-jd1 +CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F L8Y 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C L90 8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F L91 6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4 L92 (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid +C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N L94 n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium +CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N L95 [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate +Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5 L96 3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid +c1cc(c(nc1)Cl)N L97 2-chloranylpyridin-3-amine +c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O L98 (2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid +c1cc(c(cc1C(=O)NN)N)N L99 3,4-bis(azanyl)benzohydrazide +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3 L9A 6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +c1cc(ccc1CCCCO)S(=O)(=O)N L9B 4-(4-oxidanylbutyl)benzenesulfonamide +[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O L9D (1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid +Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N L9G 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C L9J (1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide +CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5 L9K (~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine +c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F L9L 5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N L9M (2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N L9N (2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C L9P voxilaprevir +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC L9Q (1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC L9R (2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5 L9S n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea +Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C L9T n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 L9W n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N L9X l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3 L9Y 4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid +C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O L9Z (1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +[La+3] LA lanthanum (iii) ion +CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC LA1 (2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S LA2 n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O LA3 (2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O LA4 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O LA5 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C LA6 (2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +Cc1ccc(c(n1)CO)O LA7 2-(hydroxymethyl)-6-methylpyridin-3-ol +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N LA8 l-adenosine-5'-diphosphate +C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O LA9 (2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +[C@H]([C@H](C(=O)O)O)(C(=O)N)N LAA (3r)-3-hydroxy-l-alpha-asparagine +C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C LAB latrunculin b +C[C@H](C(=O)O)O LAC lactic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N LAD adenosine-5'-[lysyl-phosphate] +CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O LAE 3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide +C(CC(=O)O)C(=O)CF LAF 5-fluorolevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O LAG maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime +CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O LAH 2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose +C([C@@H]([C@@H]([C@H](C=O)O)O)O)O LAI l-arabinose +CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C LAJ n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O LAK beta-d-galactopyranosyl-1-6-beta-d-glucopyranose +C[C@@H](C(=O)O)N(C)C LAL n,n-dimethyl-l-alanine +c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O LAM 4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside +C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C LAN lanosterol +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O LAO 2-o-phosphono-alpha-l-arabinopyranose +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LAP [2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N LAQ 5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C LAR latrunculin a +C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O LAS n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LAT beta-lactose +CCCCCCCCCCCC(=O)O LAU dodecanoic acid +CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N LAV n-[(2s)-2-amino-4-methylpentyl]-l-valine +CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O LAX eicosa-8,11,14-trienoic acid +CC(C)C[C@@H](C(=O)O)NC(=O)C LAY n-acetyl-l-leucine +c1cc(ccc1C(=O)NCCO)Cl LAZ n-(2-aminoethyl)-p-chlorobenzamide +CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3 LB1 (1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LB2 3-o-beta-d-glucopyranosyl-beta-d-glucopyranose +Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4 LB4 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide +Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB5 ~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br LB6 n-[(6-bromo-1h-indol-1-yl)acetyl]glycine +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C LB7 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB8 ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide +c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O LBA 2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid +Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LBB ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide +C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C LBD n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N LBE 5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C LBF leptomycin b +COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3 LBG methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate +Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO LBH panobinostat +C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC LBK 6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O LBL (2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C LBM 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC LBN 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine +CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N LBP (2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid +c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N LBQ 4-(furan-2-ylmethylamino)benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr LBR (2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O LBS 6-o-beta-d-fructofuranosyl-beta-d-fructofuranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LBT alpha-lactose +COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O LBU methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate +C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBV 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid +C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBW 3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N LBY n~6~-(tert-butoxycarbonyl)-l-lysine +c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N LBZ (2~{s})-2-azanyl-6-benzamido-hexanoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LC l-cytidine-5'-monophosphate +Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N LC0 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine +c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3 LC1 2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide +C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O LC2 n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide +c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O LC3 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +c1cn(cn1)CCCCCCCCCCCC(=O)O LC4 12-(1h-imidazol-1-yl)dodecanoic acid +CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O LC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid +Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7 LC6 7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O LC7 [(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N LC8 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N LCA [(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LCB 4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCC [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O LCD {[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid +CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O LCE (1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid +CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C LCF [6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N LCG [(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCH [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 LCI [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium +c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO LCJ 5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide +C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O LCK (z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine +c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] LCL 2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide +c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O LCM n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide) +C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O LCN 1,5-anhydro-d-arabino-hex-1-enitol +[O-]Cl(=O)=O LCO chlorate ion +[O-]Cl(=O)(=O)=O LCP perchlorate ion +c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N LCQ 2-phenylazanyl-9~{h}-purine-6-carbonitrile +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O LCR (2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O LCS [5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-] LCT n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide +C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O LCV (2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N LCW 2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide +C(CCNC(=O)O)C[C@@H](CO)N LCX carboxylated lysine +CN1C(=O)CCC1=O LCY 1-methylpyrrolidine-2,5-dione +CC(C)C[C@@H](C=O)N LCZ (2s)-2-amino-4-methylpentanal +c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5 LD1 6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4 LD2 6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one +c1cnc(nc1)NC2CCCCCC2 LD4 n-cycloheptylpyrimidin-2-amine +C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LD5 4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3 LD6 n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +CCc1nc(on1)C(=O)NCc2ccc(cc2)F LD7 3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide +COc1ccnc(n1)OC LD8 2,4-dimethoxypyrimidine +c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O LD9 [6-(phenylamino)-1-benzofuran-3-yl]acetic acid +CCCCCCCCCCCC[N+](C)(C)[O-] LDA lauryl dimethylamine-n-oxide +C1=CNC(=O)NC1=S LDB 4-thiouracil +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O LDC 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one +COc1ccc(cc1)C(=O)N2CCCCCC2 LDD (azepan-1-yl)(4-methoxyphenyl)methanone +CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O LDE (2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid +COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O LDG 2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate) +CCNCCCC[C@@H](C(=O)O)N LDH n~6~-ethyl-l-lysine +CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2 LDJ 2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LDK (2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-] LDM 3-laurylamido-n,n'-dimethylpropylaminoxyde +c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +C(CCO)C[C@@H](C(=O)O)N LDO 6-hydroxy-l-norleucine +c1cc(c(cc1CCN)O)O LDP l-dopamine +C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3 LDQ hosieine +c1ccc2c(c1)-c3ccccc3NC2=O LDR phenanthridin-6(5h)-one +CCOc1ccc(cc1)NC(=O)c2cnccn2 LDS n-(4-ethoxyphenyl)pyrazine-2-carboxamide +c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br LDT idd594 +C1[C@H]([C@H]([C@H](N1)CO)O)O LDU dideoxy-imino-lyxitol +CC1CCN(CC1)Cc2c[nH]c3c2cccc3 LDV 3-[(4-methylpiperidin-1-yl)methyl]-1h-indole +c1cc(ccc1Oc2ccc(nc2)N)F LDW 5-(4-fluoranylphenoxy)pyridin-2-amine +C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O LDY alpha-d-lyxopyranose +CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 LDZ n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide +CC(C)([C@@H](C(=O)O)N)S LE1 3-sulfanyl-l-valine +c1ccc(cc1)CCNC=S LE2 n-(2-phenylethyl)thioformamide +C[S@@](=O)CCCCNC=S LE3 n-{4-[(r)-methylsulfinyl]butyl}thioformamide +c1cnc(nc1CO)NC2CCCCCC2 LE4 [2-(cycloheptylamino)pyrimidin-4-yl]methanol +CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F LE7 n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide +CCCCC(=O)O LEA pentanoic acid +CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br LEB 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O LEC 4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +C[C@H](C[C@@H](C(=O)O)N)C=O LED (4r)-5-oxo-l-leucine +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LEE l-gamma-glutamyl-s-hexyl-l-cysteinylglycine +C[C@@H](C[C@@H](C(=O)O)N)CF LEF (4s)-5-fluoro-l-leucine +CCCCCCc1ccc(cc1)C(=O)C=C LEG 1-(4-hexylphenyl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 LEH n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine +CC(C)([C@H](C(=O)O)N)S LEI 3-sulfanyl-d-valine +c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F LEJ 1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide +CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine +c1cnc(cc1C(=O)O)c2cn[nH]n2 LEL 2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid +CC(C)C[C@@H](C(=O)C)N LEM (3s)-3-amino-5-methylhexan-2-one +CC(C)CCN LEN 3-methylbutan-1-amine +CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C LEO d-limonene 1,2-epoxide +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O LEP n~2~-phosphono-l-leucinamide +CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2 LEQ 5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one +C([C@@H](C(=O)CO)O)O LER l-erythrulose +c1cnc(nc1)N[C@H]2CCCCNC2 LES (3s)-n-(pyrimidin-2-yl)azepan-3-amine +C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LET (z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine +CC(C)C[C@@H](C(=O)O)N LEU leucine +CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 l-leucine c-terminal deprotonated fragment +CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H l-leucine c-terminal protonated fragment +CC(C)C[C@@H](C(=O)O)N LEU_LFOH l-leucine free neutral +CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW l-leucine free zwitterion +CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL l-leucine - linking embedded fragment +CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 l-leucine n-terminal protonated fragment +COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 LEV 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide +c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O LEW 1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole +CC(C)C[C@@H](C(=O)CO)N LEX (3s)-3-amino-1-hydroxy-5-methylhexan-2-one +CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F LEY n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl LEZ ~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine +Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C LF0 (2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C LF1 n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C LF2 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid +CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F LF4 n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1 LF6 {(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol +[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O LF7 2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne +Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C LF8 (2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid +Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4 LF9 (2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid +CCCCCCCCCCCCCCCCCCCC LFA eicosane +[H]/N=C(\c1cc2cccc(c2s1)OC)/N LFB 7-methoxy-1-benzothiophene-2-carboximidamide +C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O LFC 6-deoxy-l-galactonic acid +c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl LFD (1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate +Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C LFE ~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C LFF (2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid +C1CCCC(CC1)Nc2nnc(o2)C3CC3 LFG n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine +C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] LFH dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide +CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3 LFJ 1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one +c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O LFK 3-(3-hydroxyphenyl)carbonyloxybenzoic acid +c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F LFM n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C LFN lumiflavin +CNC(=O)c1cn(c2c1cccc2)C LFO n,1-dimethyl-1h-indole-3-carboxamide +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl LFP 5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N LFQ 5-methyl-4-phenyl-thiophene-2-carboximidamide +C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O LFR beta-l-fructofuranose +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F LFS (1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl LFT (1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate +c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl LFV n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I LFW (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O LFX (3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +CCn1cc(nc1)C(=O)NCc2ccc(cc2)F LFY 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide +c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F LFZ 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N LG l-guanosine-5'-monophosphate +COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6 LG0 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F LG1 3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium +Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C LG2 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid +c1cnc(nc1N)N LG3 pyrimidine-2,4-diamine +Cc1ccc(nc1)N LG4 5-methylpyridin-2-amine +CN1CC=CC(=C1)N LG5 1-methyl-1,6-dihydropyridin-3-amine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O LG6 l-guluronic acid 6-phosphate +c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N LG7 4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile +C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6 LG8 3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O LG9 (1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol +c1cnc(nc1)N LGA pyrimidin-2-amine +Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O LGB 2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O LGC d-glucono-1,5-lactone +c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F LGD 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one +Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN LGE methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate +COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4 LGF 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C LGG n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] LGH [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F LGJ n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O LGK 6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O LGL 1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7 LGM 3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O LGN n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N LGP n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate +c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N LGQ 6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine +CC(=O)N(C)c1ccccc1C(=O)O LGR 2-[acetyl(methyl)amino]benzoic acid +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O LGS (3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O LGT l-glucaric acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O LGU alpha-l-gulopyranuronic acid +c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5 LGV n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide +c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGW n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGX n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N LGY (e)-n~6~-(4-oxobutylidene)-l-lysine +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6 LGZ carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester +[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N LH2 4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide +COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC LH3 methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate +c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7 LH4 5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N LH5 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F LH7 1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N LH8 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide +CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O LH9 [(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N LHA doubly functionalized paromomycin pm-ii-162 +COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHB 5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one +C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N LHC (2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid +COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHD 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium +CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O LHE n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline +c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br LHF 5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC LHG 1,2-dipalmitoyl-phosphatidyl-glycerole +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC LHH [(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C LHI [(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate +Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5 LHJ n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O LHK (2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C LHL 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F LHM n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O LHO 2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione +CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C LHP (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O LHQ ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate +CC(=O)Nc1ccc2cn[nH]c2c1 LHR n-(1h-indazol-6-yl)acetamide +COCc1nc(no1)C(=O)NCc2ccc(cc2)F LHS n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O LHT hydrolysed ertapenem +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LHU l-uridine-5'-monophosphate +CC(C)[C@@H](C(=O)O)O LHV (2s)-2-hydroxy-3-methylbutanoic acid +O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O LHW mo(10)-o(35) cluster +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO LHY l-[(n-hydroxyamino)carbonyl]phenylalanine +Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C LHZ (6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one +[Li+] LI lithium ion +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC LI0 4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C LI1 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol +c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5 LI2 3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide +c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4 LI3 3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide +c1ccc2c(c1)cccc2COc3cccnc3N LI4 3-(1-naphthylmethoxy)pyridin-2-amine +CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O LI5 2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate +CN1c2ccccc2C(=C(C1=O)O)O LI6 3,4-dihydroxy-1-methylquinolin-2(1h)-one +c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2 LI7 (3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one +CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br LI8 n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide +C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F LI9 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one +COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F LIA (4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl LIB 3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl LIC 3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl LID 8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium +CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F LIE 2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine +COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F LIF n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 LIG 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4 LIH 6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC LII (z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3 LIJ benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate +CCCCC(=C)CCC(=C)CC(=O)O LIK 3,6-bis(methylene)decanoic acid +CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC LIL 2-tridecanoyloxy-pentadecanoic acid +CCCCCCCCCCCCC(=O)CC(=O)O LIM 3-oxo-pentadecanoic acid +CC(=O)CC(=O)O LIN 3-oxo-butyric acid +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC LIO [1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline +[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O LIP l-myo-inositol-1-phosphate +CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3 LIQ n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide +CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O LIR 2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium +C1[C@@H](O1)C[C@@H](C(=O)O)N LIS (2s,4s)-2-amino-4,5-epoxipentanoic acid +c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-] LIT {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid +CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C LIU n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N LIV (2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6 LIW 4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC LIX n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC LIY 6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine +c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO LIZ n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine +Cc1cc(cc(c1O)C)\C=C\c2ccccc2 LJ1 2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br LJ2 2,6-dibromo-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)c2cc(c(c(c2)Br)O)Br LJ3 3,5-dibromobiphenyl-4-ol +c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br LJ4 2,6-dibromo-4-phenoxyphenol +c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br LJ5 n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C LJ6 (2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide +CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F LJ7 n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide +C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O LJ8 (2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid +CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4 LJ9 3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole +CC(=O)Nc1cccc(c1)NC(=O)N LJA n-[3-(carbamoylamino)phenyl]acetamide +O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O LJB mo(8)-o(26) cluster +Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl LJD n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F LJE n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F LJF n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide +CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N LJG n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide] +c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N LJH n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide) +Cc1nnc(o1)NC2CCCCCC2 LJJ n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine +CCC(C)(C)NC(=O)c1cc(n[nH]1)C LJK 3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide +CCc1cnc(s1)C(=O)NCc2ccc(cc2)F LJM 5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide +CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LJN [(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C LJP n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide +CNS(=O)(=O)CC1CCCCC1 LJR 1-cyclohexyl-n-methylmethanesulfonamide +CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O LJS (2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid +COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl LJT 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol +Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N LJV 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile +[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N LJW 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl LJY 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile +c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2 LJZ 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide] +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC LK0 methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LK1 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK2 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid +CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK3 n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid +c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N LK4 n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O LK5 (1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2 LK6 n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide +CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC LK7 (1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F LK8 (2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O LKA 5-thio-alpha-d-mannopyranosylamine +c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N LKB ~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O LKC 4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one +CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl LKD 3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] LKE 2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC LKF 4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine +c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O LKG 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol +c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O LKH 4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid +c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O LKJ (2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid +CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O LKK 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid +CN(CCO)c1c(cc(cn1)Cl)F LKL 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LKM n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O LKP trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C LKQ ~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide +[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O LKS n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine +c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4 LKT 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile +Cc1ccc(cc1O)NC(=O)c2cccc(c2)F LKU 3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide +CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O LKW 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid +Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 LKY 3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide +CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O LKZ 3,5,7,9,11-pentakis(oxidanylidene)dodecanal +c1ccc(c(c1)OC(F)F)S(=O)(=O)N LL0 2-(difluoromethoxy)benzene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)c3ccncc3 LL1 3-pyridin-4-yl-1h-indazole +c1ccc(cc1)Cc2cnc(s2)N LL2 5-benzyl-1,3-thiazol-2-amine +c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 LL3 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone +CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 LL4 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N LL5 (2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 LL7 (2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC LL8 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +COc1ccc(cc1Cl)CNCCS(=O)(=O)O LL9 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)C[C@@H](C(=O)O)O LLA l-2-hydroxy-3-phenyl-propionic acid +CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3 LLD 2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate +CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O LLE (2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O LLF (4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)cccc2CC(=O)OCCN LLG 2-aminoethyl naphthalen-1-ylacetate +[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O LLH (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid +COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LLI (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2 LLJ 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene +C/C=C/C(=O)c1ccc2cc(ccc2c1)OC LLK (2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O LLL (2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol +C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O LLM laulimalide +c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO LLN (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N LLO n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O LLP (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C([C@@H](CS(=O)(=O)O)O)O LLQ (2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid +Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4 LLS (3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O LLT l-deoxythymidine +C[C@@H](C(=O)O)Oc1ccccc1F LLU (2s)-2-(2-fluorophenoxy)propanoic acid +c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N LLX n-(4-aminobiphenyl-3-yl)benzamide +C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N LLY nz-(dicarboxymethyl)lysine +C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N LLZ n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO LM2 4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one +CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4 LM3 n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine +CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4 LM4 n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine +C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O LM5 (3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide +CCn1c(ccn1)CNC LM6 1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine +c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O LM7 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione +CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O LM8 (5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC LMA lankamycin +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O LMB leptomycin b, bound form +C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C LMC (2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal +CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMD tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C[C@H](CC(=O)O)[C@@H](C(=O)O)N LME (2s,3r)-2-azanyl-3-methyl-pentanedioic acid +CNC(=S)NCCCC[C@@H](C(=O)O)N LMF nz(n-methyl thioformamide) lysine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC LMG 1,2-distearoyl-monogalactosyl-diglyceride +C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O LMH glucosyl-dolichol phosphate +CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C LMJ (5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O LMK trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium +CC(C)CC(C(=O)O)C(=O)O LML isobutyl malonic acid +Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F LMM n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O LMN lauryl maltose neopentyl glycol +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O LMO dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C LMP (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +C[C@@H](CC(=O)N)[C@@H](C(=O)O)N LMQ (3s)-3-methyl-l-glutamine +C([C@@H](C(=O)O)O)C(=O)O LMR (2s)-2-hydroxybutanedioic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N LMS [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMT dodecyl-beta-d-maltoside +CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMU dodecyl-alpha-d-maltoside +CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4 LMV (2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CCN(CCO)c1ccc(cc1)N LMW 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol +Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F LMY ~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O LMZ 5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C LN0 methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose +C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O LN1 (3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine +CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N LN4 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea +[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N LN5 n5-(1-iminopropyl)-l-ornithine +[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N LN6 n~5~-[(1e)-pentanimidoyl]-l-ornithine +CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N LN7 n~5~-[(1s)-1-aminopentyl]-l-ornithine +C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl LN8 kiteplatin +CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-] LNA (9e,12z)-10-nitrooctadeca-9,12-dienoic acid +CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-] LNB (9z,12e)-12-nitrooctadeca-9,12-dienoic acid +c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O LNC (3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide +c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O LND 4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium +CCNC(=O)[C@H](CC(C)C)N LNE n-ethyl-l-leucinamide +CC(C)CCCCCCC/C=C\CC(=O)O LNG delta-3isotetradecenoic acid +CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 LNH 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid +COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N LNJ 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine +CCCCC LNK pentane +CCC=CCC=CC\C=C/CCCCCCCC(=O)O LNL alpha-linolenic acid +CC(C)C[C@@H](C(=O)NC)N LNM n-methyl-l-leucinamide +c1ccc(cc1)c2cc(ccc2O)CC(=O)O LNN (6-hydroxybiphenyl-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NO)N LNO l-leucyl-hydroxylamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5 LNP (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol +CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N LNQ 3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione +c1cc(c(cc1[C@H](CN)O)O)O LNR l-norepinephrine +CNC(=O)c1cccc(n1)C(=O)O LNS 6-(methylcarbamoyl)pyridine-2-carboxylic acid +C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O LNT n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O LNV 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNW 2,2'-biphenyl-3,5-diyldiacetic acid +c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNX 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid +c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O LNY 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC LNZ 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide +c1cc(ccc1CN)NC(=O)C(=O)O LO1 [[4-(aminomethyl)phenyl]amino]oxo-acetic acid, +CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O LO2 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC LO3 (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one +CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O LO4 ciglitazone +c1cc2c(cc1CNC[C@H]3CCCO3)OCO2 LO5 1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F LO6 2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one +CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 LO7 mitoglitazone +C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 LO8 (2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C LOA (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid +C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O LOB lobeline +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LOC n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5 LOD (3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid +C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3 LOE 1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine +c1ccc(cc1)C[C@@H](C(=O)O)O LOF 3-phenyl-lactic acid +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O LOG n-acetylglucosaminono-1,5-lactone (z)-oxime +C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O LOH 3,4-dihydroxylysine +Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C LOI 2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4 LOJ (3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid +COC(=O)Nc1cccc(c1)NC(=O)OC LOK methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate +CC(C)C[C@@H](C(O)O)N LOL (2s)-2-amino-4-methylpentane-1,1-diol +c1cscn1 LOM thiazole +CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LON (7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC LOP (1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +Cc1ccc(cc1)N2C(=O)CCC2=O LOQ 1-(4-methylphenyl)pyrrolidine-2,5-dione +c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N LOR loracabef (open form) +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 LOS lambda-bis(2,2'-bipyridine)imidazole osmium (ii) +c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide +C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N LOU 3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine +CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N LOV 5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid +C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N LOW (5~{s},7~{r})-3-azanyladamantan-1-ol +C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O LOX (2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol +CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O LOY 5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN LOZ 5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O LP0 (7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP1 4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP2 n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LP3 (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP4 2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP5 (r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate +C1CCN(CC1)CCCC[C@@H](C(=O)O)N LP6 6-piperidin-1-yl-l-norleucine +CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O LP7 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate +c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O LP8 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one +CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O LP9 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium +C1CSS[C@@H]1CCCCC(=O)O LPA lipoic acid +C1CSS[C@H]1CCCCC(=O)O LPB 5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LPC [1-myristoyl-glycerol-3-yl]phosphonylcholine +C1C[C@H](NC1)C(=O)N LPD l-prolinamide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LPE 1-o-octadecyl-sn-glycero-3-phosphocholine +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C LPF 1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone) +C#C[C@@H](C(=O)O)N LPG (2s)-2-aminobut-3-ynoic acid +C#CC[C@@H](C(=O)O)N LPH l-propargylglycine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O LPI n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine +S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5 LPJ fe(6)-s(7) cluster +C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O LPK l-psicose +CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O LPL leu-hydroxyethylene-leu +C(CCC(=O)N)C[C@H](CCS)S LPM 6,8-dimercapto-octanoic acid amide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl LPN (3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl LPO (3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC LPP 2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl LPQ (3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O LPR [n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline +CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O LPS o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine +C1CCC(CC1)[NH2][Pt+2][NH3] LPT cis-(ammine)(cyclohexylamine)platinum(ii) complex +CS(=O)(=O)N1CCC(CC1)O LPU 1-(methanesulfonyl)piperidin-4-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO LPW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O LPX (2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate +CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O LPY (2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate +Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C LPZ 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone +c1cc(ccc1C(=O)N)C(=O)O LQ2 4-aminocarbonylbenzoic acid +C1=CC(=O)N=CC1OC(F)F LQ3 (5s)-5-(difluoromethoxy)pyridin-2(5h)-one +COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O LQ4 piperlongumine +CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N LQ5 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea +Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3 LQ7 n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO LQ8 (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid +[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N LQA 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile +Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C LQB 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC LQD (3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine +CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC LQE (3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline +c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2 LQF 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile +c1cc(oc1)CNc2c(ccc3n2cnn3)C#N LQG 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile +c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F LQH 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline +CC1CCN(CC1)C(=O)c2cc3ccccc3o2 LQI (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N LQJ 3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO LQK (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide +c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH] LQN 2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide +C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F LQP 2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one +CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C LQQ 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N LQT 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2 LQV (2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH] LQW ~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LQY n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide +CCN(CC)CC(=O)Nc1c(cccc1C)C LQZ 2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide +c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br LR1 (1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol +c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH] LR2 ~{n}-pyridin-2-yl-2-selanyl-benzamide +c1cc(ccc1C(=O)N)C(F)(F)F LR5 4-(trifluoromethyl)benzamide +C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O LR7 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1cc(ncc1C(=O)N)N2CCOCC2 LR8 6-morpholin-4-ylpyridine-3-carboxamide +CCN(C)C(=O)c1cccc(c1)N LR9 3-amino-n-ethyl-n-methylbenzamide +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 LRB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O LRD 2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid +Cc1c(c(sn1)N(C)CC(=O)N)C#N LRF n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3 LRG (2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid +C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O LRH 6-deoxy-beta-l-fructofuranose +c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3 LRI 6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine +C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N LRK (2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O LRM 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium +Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O LRO 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O LRP 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F LRQ bridged tetracyclic indole +c1ccc(cc1)CCCC(=O)N2CCOCC2 LRR 1-(morpholin-4-yl)-4-phenylbutan-1-one +Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6 LRS n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37 LRU lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii) +C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C LRV (8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid +c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O LRW (~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O LRY n-acetylmannosamine-6-phosphate +[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LRZ methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O LS1 n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O LS2 n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide +c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2 LS3 3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2 LS4 4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2 LS5 3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole +c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO LS6 (2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide +CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C LS7 n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N LS8 4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide +c1ccc2c(c1)C(=O)NS2(=O)=O LSA 1,2-benzisothiazol-3(2h)-one 1,1-dioxide +CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C LSB (4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LSC (4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O LSD lasalocid a +C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O LSE 2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside +CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO LSG 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O LSH [(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O LSI ruthenocenyl-7-aminodesacetoxycephalosporanic acid +CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C LSJ n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide +[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LSK methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1CNCc2ccsc2)C(=O)NO LSL n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide +CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LSM dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside +CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl LSN [2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol +C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LSO (z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine +CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O LSP (7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide +c1cc(cc(c1)Cl)CCC(=O)O LSQ 3-(3-chlorophenyl)propanoic acid +C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C LSR 1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N LSS 5'-o-(l-leucylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O LST [(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N LSU 5'-o-(n-(l-leucyl)-sulfamoyl)uridine +C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO LSV n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O LSW n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan +CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O LSX [(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid +CN(C)C(=O)NNC(=O)N(C)C LSY n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C LSZ ~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide +c1ccc(cc1)CCCCl LT1 (3-chloropropyl)benzene +C1[C@H](C2=CC(=O)C(=O)C=C2N1)O LT2 (3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione +c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N LT3 (1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine +c1cc(c(cc1[C@H](CN)O)O)O LT4 norepinephrine +c1cc(cc(c1)C(F)(F)F)[C@H](CN)O LT5 (1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol +CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO LT6 2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide +Cc1ccc(cc1)c2nc(on2)CNC(C)C LT7 ~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine +c1ccc(c(c1)C(=O)O)n2cccn2 LT8 2-pyrazol-1-ylbenzoic acid +CCOC(=O)C[C@@H]([C@H](CCCCN)N)O LTA 4,8-diamino-3-hydroxy-octanoic acid ethyl ester +CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O LTB leukotriene b4 +CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC LTC (2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N LTD (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N LTE 1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine +CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO LTF (4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide +C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O LTG l-tagatose +C([C@@H]([C@H](C(=O)O)O)O)O LTH (2r,3s)-2,3,4-trihydroxybutanoic acid +c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N LTI (5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide +C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F LTJ 4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide +Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl LTK ~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide +CCC(=O)CCC(C)(C)O LTL 6-hydroxy-6-methyl-heptan-3-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O LTM n-acetyl gluconolactam +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N LTN l-tryptophanamide +c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO LTO (2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O LTP 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N LTQ (4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N LTR l-tryptophan +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F LTS 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine +C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N LTT 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O LTV 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate +CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6 LTW ~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LTX (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5 LTY n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C LTZ (5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole +[Lu+3] LU lutetium (iii) ion +CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N LU0 sulphamoil leucine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O LU1 4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one +Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 LU5 ~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N LU7 n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CCC[C@H]1C(=C(CO1)CO)C(=O)O LUB 4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N LUD n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C LUE ~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine +CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C LUF (5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN LUG n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O LUH [4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide +CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO LUJ (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O LUK [4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 LUM lumichrome +c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F LUN (5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone +Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC LUO n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4 LUP 5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide +C(CS(=O)(=O)O)NCC(=O)N LUQ n-(2-acetamido)-2-aminoethanesulfonic acid +Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F LUR {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid +CCC1CCC(CC1)N2CCOCC2 LUS 4-(4-ethylcyclohexyl)morpholine +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C LUT (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5 LUV (3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide +c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4 LUW 4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C LUX (3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CCNc2[nH]c3ccccc3n2 LUY ~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine +c1cnc2c(n1)C(=O)NC(=O)N2 LUZ pteridine-2,4(1h,3h)-dione +c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F LV1 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea +CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LV2 [(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(c(c1)NC(=S)N)OC(F)(F)F LV4 1-[2-(trifluoromethyloxy)phenyl]thiourea +c1cc(c(cc1N)Cl)Cl LV5 3,4-dichloroaniline +CC(=O)Nc1ccccc1C(=O)NN LV7 ~{n}-[2-(aminocarbamoyl)phenyl]ethanamide +CC(=O)NC[C@@H](C(=O)O)N LV8 (2~{s})-3-acetamido-2-azanyl-propanoic acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C LVA (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid +Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O LVB 3-deoxytolcapone +c1ccc(cc1)CONC(=O)N LVD 1-phenylmethoxyurea +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] LVE 3-o-methyltolcapone +C=C[C@@H](C(=O)O)N LVG l-vinylglycine +C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F LVH (~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid +CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl LVJ 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide +C[C@H](C=O)[C@@H](C(=O)O)N LVN (3s)-4-oxo-l-valine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O LVO 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(c(c1)NNC(=O)c2ccno2)F LVP ~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide +C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O LVQ octa-anionic calixarene +CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-] LVS 4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone +c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O LVT octa-anionic calix[4]arene +Cc1ccc(cc1)CN2CCS(=O)(=O)CC2 LVV 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide +C=CCOC[C@H](C[SeH])O LVW (2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol +c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O LVY s-lenalidomide +CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O LVZ propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +c1cc(sc1)C=O LW1 thiophene-2-carbaldehyde +CC(=O)[C@H]([C@@H](c1cccs1)O)O LW2 (3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one +CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 LW4 3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione +C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O LW5 4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide +c1ccc(cc1)CCC2=NCCc3c2cccc3 LW7 1-(2-phenylethyl)-3,4-dihydroisoquinoline +C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O LW8 trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium +CCCCC(CC)CC LW9 3-ethylheptane +c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2 LWA (2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC LWB 4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole +c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3 LWD ~{n}-quinolin-6-ylbenzamide +c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl LWG 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5 LWH 4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +c1ccc(c(c1)C[C@@H](C(=O)O)N)CN LWI 2-(aminomethyl)-l-phenylalanine +Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N LWJ [5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O LWM [(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC LWN methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate +C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C LWQ ~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide +CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C LWS 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one +c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl LWT 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide +c1ccc(c(c1)N)N2CCOCC2 LWV 2-morpholin-4-ylaniline +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3 LWW n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +C[P@](=O)(N1CCC[C@H]1C(=O)O)O LWY 1-[(r)-hydroxy(methyl)phosphoryl]-l-proline +c1c(nn[nH]1)CNC(=O)CC(S)S LWZ 3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide +C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N LX0 4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine +C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O LX1 l-xylulose 5-phosphate +c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5 LX2 [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid +CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O LX3 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol +C1CCC(C1)C(=O)N2CCNC(=O)C2 LX4 4-cyclopentylcarbonylpiperazin-2-one +C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O LX5 [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate +c1cc(ccc1NC(=S)N)OC(F)(F)F LX7 1-[4-(trifluoromethyloxy)phenyl]thiourea +CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C LX8 2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate +c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5 LX9 6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one +COCC(=O)NCc1[nH]c2ccccc2n1 LXA ~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide +CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O LXB 2-acetamido-2-deoxy-beta-d-gulopyranose +C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O LXC beta-l-xylopyranose +C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+] LXE [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium +CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4 LXG 8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccccc1)C(=O)OC LXH methyl (2~{s})-2-phenylpropanoate +c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2 LXJ (3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one +CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C LXL 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea +c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO LXM [(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone +C1(=O)C(=O)NC(=O)NC1=O LXN alloxan +C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O LXP l-xylitol 5-phosphate +CC(=O)N1CC[C@H](C1)C(=O)O LXQ (3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid +CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3 LXS 3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N LXT (2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide +[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br LXV 2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N LXW (2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide +c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5 LXX 6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline +C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F LXY (4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O LXZ 2-acetamido-2-deoxy-alpha-d-idopyranose +C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O LY0 (2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1cc(c(c2c1CCCNC2)Cl)Cl LY1 8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4 LY2 2-morpholin-4-yl-7-phenyl-4h-chromen-4-one +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O LY3 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid +CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O LY4 (9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione +C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O LY5 (3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N LY7 n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +C[C@H](c1ccccc1)C(=O)OC LY8 methyl (2~{r})-2-phenylpropanoate +[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O LY9 l-arabinaric acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O LYA 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O LYB 2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid +CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C LYC lycopene +CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N LYD 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid +c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O LYE bromophenol blue +C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N LYF (2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O LYG 8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C(CN)/C=C/[C@@H](C(=O)O)N LYH 3,4 ene-lysine +C(CCN)C[C@@H](CO)N LYJ (2s)-2,6-diaminohexan-1-ol +C(CCN)C[C@@H](C(O)O)N LYK (2s)-2,6-diaminohexane-1,1-diol +Cc1cccc(c1O)CC=C LYL 2-allyl-6-methyl-phenol +CC(=O)[C@H](CCCCN)N LYM deoxy-methyl-lysine +C(CC[NH3+])C[C@@H](C(=O)N)N LYN 2,6-diamino-hexanoic acid amide +C(CN)C(C[C@@H](C(=O)O)N)O LYO 4-hydroxy-lysine +CCCN(C)CCCCC(C(=O)O)N LYP n~6~-methyl-n~6~-propyl-l-lysine +c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N LYQ (3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C LYR n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine +C(CC[NH3+])C[C@@H](C(=O)O)N LYS lysine +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 l-lysine c-terminal deprotonated fragment +C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H l-lysine c-terminal protonated fragment +C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 l-lysine-c-terminal protonated fragment/with side chain deprotonated nz +C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH l-lysine free neutral +C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 l-lysine-free neutral/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW l-lysine free zwitterion +C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 l-lysine-free zwitterion/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL l-lysine - linking embedded fragment +C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 l-lysine-linking embedded fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 l-lysine n-terminal protonated fragment +C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 l-lysine-n-terminal protonated fragment/with side chain deprotonated nz +CCCCN LYT butylamine +CC(C)CCCNCCCC[C@@H](C(=O)O)N LYU n~6~-(4-methylpentyl)-l-lysine +C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N LYV o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide +CCCC[C@@H](C=O)N LYW 1-amino-1-carbonyl pentane +C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O LYX n''-(2-coenzyme a)-propanoyl-lysine +C(C[C@@H](C(=O)O)N)[C@H](CN)O LYZ 5-hydroxylysine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O LZ0 [1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside +c1ccc2c(c1)cn[nH]2 LZ1 1h-indazole +c1cc2c(cccc2S(=O)(=O)N)c(c1)O LZ2 5-hydroxynaphthalene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N LZ3 n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide +c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N LZ4 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide +c1ccc(cc1)NC(=O)c2cc[nH]n2 LZ5 n-phenyl-1h-pyrazole-3-carboxamide +c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl LZ6 l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine +CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F LZ7 4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F LZ8 n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F LZ9 {[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F LZA {[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CC(C)Nc1cc(nc2n1ncc2C#N)Cl LZB 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N LZC 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F LZD 4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl LZE 4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O LZF 5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl LZG 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl LZH 5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl LZI (4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide +c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br LZJ 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC LZK 6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N LZL 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine +c1cnc2c(cnn2c1)C#N LZM pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5 LZP 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione} +c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O LZQ 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid +COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6 LZR 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one +CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC LZS n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC LZT n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide +CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC LZU 10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3 LZV ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate +c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O LZW (4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CN1Cc2cc(ccc2NCCC1=O)F LZY 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O LZZ (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one +CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 M00 n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN M01 1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N M02 1-(9h-purin-6-yl)piperidin-4-amine +c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M03 1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M04 1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl M05 4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N M06 3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile +COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M07 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M08 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-] M09 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N M0A 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F M0B 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N M0D 2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O M0E moenomycin +C([C@@H](C(=O)O)N)SCO M0H s-(hydroxymethyl)-l-cysteine +C[C@@H](CNC(=O)Nc1ccccc1)O M0J n-[(2s)-2-hydroxypropyl]-n'-phenylurea +c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2 M0K 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid +CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3 M0M (8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one +c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O M0N (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) +CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C M0P 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione +CNc1ccnc2c1cncc2 M0Q ~{n}-methyl-1,6-naphthyridin-4-amine +CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C M0S 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C M0T 1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide +CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C M0V 7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +CNc1c2ccccc2ncn1 M0W ~{n}-methylquinazolin-4-amine +c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N M0Y 4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide +COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N M0Z 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-] M10 (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi) +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N M11 n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine +CC(C)CCCCCCCCC(=O)O M12 10-methylundecanoic acid +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N M14 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I M15 {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N M16 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O M17 methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl M18 {(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate +C[n+]1cnc2c(c1N)nc[nH]2 M1A 6-amino-1-methylpurine +[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N M1B 2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide +CCCC[C@@H](C(CNC1CC1)(O)O)N M1C (3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol +CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C M1D 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid +CNc1c2c(ccs2)ncn1 M1E ~{n}-methylthieno[3,2-d]pyrimidin-4-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O M1F alpha-maltose 1-phosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O M1G 3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate +CNc1ccnc2c1CCCC2 M1H ~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine +C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N M1J 4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine +CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O M1L 2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid +CS(=O)(=O)SCSS(=O)(=O)C M1M 1,1-methanediyl bismethanethiosulfonate +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O M1N (1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O M1P 1-o-phosphono-alpha-d-mannopyranose +C1CCC2=NC(=O)NC(=O)C2C1 M1Q 5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 M1R 1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O M1S (5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione +COCC(=O)CCCC(O)O M1T 6,6-dihydroxy-1-methoxyhexan-2-one +CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C M1V mesobiliverdin ix(alpha) +COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3 M1W 3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F M1X {(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O M1Y (1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol +C1CCN(C1)C2=NC(=O)NC(=O)C2 M1Z 6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione +C\C=C/C=C/CCCCCCCCCO M21 (10e,12z)-tetradeca-10,12-dien-1-ol +c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl M22 3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br M23 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F M24 5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)NCCc1ccc(cc1)S(=O)(=O)N M25 n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide +[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-] M27 bis(mu2-oxo)-octaoxo-dimolybdenum (vi) +c1cc(ccc1CCC(=O)O)S(=O)(=O)N M28 3-[4-(aminosulfonyl)phenyl]propanoic acid +CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N M29 ethyl 3-[4-(aminosulfonyl)phenyl]propanoate +CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O M2A [(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +c1ccc(cc1)n2c(c(cn2)C(=O)N)N M2B 5-amino-1-phenylpyrazole-4-carboxamide +CSCC[C@@H](C(c1ccccn1)(O)O)N M2C (2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol +C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C M2D madumycin ii +c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl M2E (4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F M2F 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside +CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 M2G n2-dimethylguanosine-5'-monophosphate +Cc1cc([nH]c1C#N)C M2H 3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile +C1CCc2c(c([nH]n2)C(=O)O)C1 M2K 4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid +CN(C)CCSC[C@@H](C(=O)O)N M2L (2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid +COCCOCCOC M2M 1-methoxy-2-(2-methoxyethoxy)ethane +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N M2N 5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O M2P d-mannitol-1,6-diphosphate +CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N M2S 3-{[(r)-methylsulfinyl]methyl}-l-valine +CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M2T 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O M2V [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC M2W delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O M2Y [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4 M2Z 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine +C1CCC(CC1)NCC(=O)O M30 n-cyclohexylglycine +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl M31 n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M32 n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M33 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M34 n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F M35 1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C M36 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid +c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N M37 1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O M38 4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate +Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F M39 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N M3A 5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide +COCCN[C@@H](N)NCCCCN M3B (1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine +CSCC[C@@H](C(c1nccs1)(O)O)N M3C (2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol +c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5 M3D 7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=O)N2 M3E 6-phenyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F M3F 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C2=NCCN2 M3H 2-phenyl-4,5-dihydro-1~{h}-imidazole +Cc1cc(no1)N M3I 5-methyl-1,2-oxazol-3-amine +c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br M3J 6-bromo-n~2~-phenylquinazoline-2,4-diamine +c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F M3K 2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide +C[N+](C)(C)CCCC[C@@H](C(=O)O)N M3L n-trimethyllysine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O M3M 3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO M3N 4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole +CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O M3O 3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate) +CC(=O)\C=C\C=C(/C(=O)O)\O M3P (2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid +c1cc2cccnc2c(c1)CP(=O)(O)O M3Q [(quinolin-8-yl)methyl]phosphonic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O M3R methyl phosphonated l-arginine +Cc1cccc(c1OC(=O)C)C(=O)O M3S 2-(acetyloxy)-3-methylbenzoic acid +Cc1cccc(c1)S M3T 3-methylbenzenethiol +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O M3V {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C M3W 8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N M3Y 5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide +CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2 M3Z 6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O M40 (1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M41 n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CC1=CC(=O)Nc2c1ccc3c2OCO3 M42 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O M43 (17[2]s)-17[2]-methylthio-coenzyme f43 +CC(C)NP(=O)(NC(C)C)O M44 n,n'-bis(1-methylethyl)phosphorodiamidic acid +c1nc([nH]n1)N[C@H]2CCCN2 M45 ~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine +c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N M46 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine +c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N M48 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine +CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C M49 n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide +Cc1cc(c2ccccc2n1)N M4A 2-methylquinolin-4-amine +CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-] M4B 6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC M4C n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate) +CCCCCc1cc2c(cccc2nc1N)CCCCN M4D 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine +CNC(=O)c1c2ccccc2[nH]n1 M4E ~{n}-methyl-2~{h}-indazole-3-carboxamide +c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O M4G [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O M4H 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F M4J n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide +c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3 M4K 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N M4M 1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid +CNC(=O)c1cc(n[nH]1)c2ccccc2 M4N ~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O M4O (2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid +c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N M4P [4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 M4Q 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N M4R 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile +COc1ccc(cc1)S(=O)(=O)N M4S 4-methoxybenzenesulfonamide +CC(=O)Nc1cccnc1 M4T ~{n}-pyridin-3-ylethanamide +c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N M4V 2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C M4Y parthenolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N M4Z (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 M51 {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone +C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br M52 n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide +c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN M54 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one +c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O M55 benzyl alpha-d-glucopyranuronate +c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N M57 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid +c1cc(cnc1)[C@H](N)S M58 (~{r})-azanyl(pyridin-3-yl)methanethiol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N M59 [(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol +C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O M5A (2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid +c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2 M5B ~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O M5C dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate +C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N M5D 5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile +c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O M5E (~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol +C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F M5F 1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c([nH]n2)C3NCCN3 M5H 3-imidazolidin-2-yl-2~{h}-indazole +CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F M5J 1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one +Cc1cc(nc2c1cccc2)N M5K 4-methylquinolin-2-amine +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O M5M 2'-(n-acetamide)-cytidine-5'-monophosphate +CC(C)C1=NC(=O)N=C2C1CCCC2 M5N 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one +c1ccc(cc1)CCC[C@H](CS)C(=O)O M5P (s)-2-(mercaptomethyl)-5-phenylpentanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O M5T 5-methyluridine triphosphate +c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N M5V 4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile +CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N M5W 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide +c1cc(c(cc1F)F)CN M5Y 1-(2,4-difluorophenyl)methanamine +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O M5Z (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2 M60 (4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid +CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 M61 n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide +c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N M62 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine +C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N M64 (2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid +CCOC(=O)CCCCCCn1ccnc1 M65 ethyl 7-imidazol-1-ylheptanoate +CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C M66 (1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N M67 (2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide +c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N M68 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine +[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6A (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6B (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O M6D 6-o-phosphono-beta-d-mannopyranose +[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6E (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC M6F (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6G (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate +c1ccc(cc1)CC2NCCN2 M6H 2-(phenylmethyl)imidazolidine +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N M6J (2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F M6M n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CC1=Nc2cnccc2C(=O)N1 M6N 2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] M6O lauric acid functionalized hexamolybdoaluminate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O M6P 6-o-phosphono-alpha-d-mannopyranose +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N M6Q (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O M6R 5-amino-5-deoxy-1-o-phosphono-d-mannitol +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N M6S (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-] M6T 6'-methyl-thiamin diphosphate +[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6V (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate +CNC(=O)[C@H]1CCNC1 M6W (3~{s})-~{n}-methylpyrrolidine-3-carboxamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F M6Y n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CNC(=O)c1c2cc(ccc2[nH]n1)I M6Z 5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide +CO[C@H](c1ccccc1)[C@H](C(=O)O)O M72 (2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC M73 methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate +c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O M74 (2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid +c1c(nc[nH]1)S(=O)(=O)NC2CC2 M75 ~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide +c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F M76 n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 M77 5-(1,4-diazepan-1-sulfonyl)isoquinoline +Cc1c([nH]c2c1cc(cc2)C(=O)NC)C M78 ~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide +CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O M7A 7-methyl, adenosine-5'-monophosphate +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O M7B 7-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M7C n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide +C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N M7D n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C M7E 1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3 +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O M7G 7n-methyl-8-hydroguanosine-5'-diphosphate +CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC M7H 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone +c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N M7K 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine +CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O M7M n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate) +CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3 M7N ~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O M7O 2-[(phenylmethyl)carbamoylamino]benzoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O M7P 7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O M7R (2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O M7S (2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4 M7T ~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O M7U (2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate +CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O M7V (1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC M7W 4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide +CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C M7Y (2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl M7Z 4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3 M80 3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid +c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl M81 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I M82 4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N M83 5-(3-cyanophenyl)furan-2-carboxylic acid +c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O M84 3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid +CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M85 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC M86 2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N M87 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine +CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O M88 1-(8z-hexadecenoyl)-rac-glycerol +c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O M8A benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate +CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8B methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O M8C methyl alpha-d-galactopyranuronate +CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN M8D 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine +C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O M8E 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine +CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N M8F n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine +c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO M8G n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N M8J 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4 M8K 4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N M8M 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine +Cc1cc(ccc1NCNO)CCC(C)C M8N ~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine +C(C(=O)CC(=O)O)C(=O)C=CC(=O)O M8O 4-maleylacetoacetic acid +c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O M8P n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide +CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O M8Q 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N M8S 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N M8T 2'-fluoro-,3',3'-c-di-amp +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N M8V 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8Y methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N M8Z 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M90 (2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M91 (2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N M92 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide +CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M94 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine +c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2 M95 (2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO M96 (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6 M97 1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium +c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M98 (s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide +c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M99 (r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F M9A 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C M9B 1-alpha-hydroxy-vitamin d3 +C[C@@H](c1[nH]c(cn1)c2ccccc2F)N M9D (1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine +CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC M9E 2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC M9F (2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F M9G n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide +CNCC(=O)NCc1cccc(c1)CNC(=O)CNC M9H 2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7 M9J n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine +c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3 M9K 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid +Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C M9M 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one +Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl M9N 2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid +C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N M9P amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium +CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O M9Q ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 M9S 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole +Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC M9T 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one +C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O M9W enmetazobactam derived trans-enamine adduct. +c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F M9Y 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4 M9Z ~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +C[C@@H](C(=O)OC)N MA methyl l-alaninate +C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O MA0 (1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O MA1 1,4-dithio-alpha-d-glucopyranose +CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO MA2 4-s-methyl-4-thio-alpha-d-glucopyranose +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O MA3 methyl 4-thio-alpha-d-glucopyranoside +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA4 cyclohexyl-hexyl-beta-d-maltoside +C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA5 2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MA6 6n-dimethyladenosine-5'-monophoshate +C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MA7 1n-methyladenosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O MA8 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F MA9 (3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine +C[C@@H](C(=O)O)NC MAA n-methyl-l-alanine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O MAB mannobiose +CC(=O)O[Hg+] MAC mercury acetate ion +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C MAD 6-hydro-1-methyladenosine-5'-monophosphate +C(=C/C(=O)O)/C(=O)O MAE maleic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O MAF 2-deoxy-2-fluoro-alpha-d-mannopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O MAG methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CC(CC(=O)O)(CC(=O)O)O MAH 3-hydroxy-3-methyl-glutaric acid +C[C@H]([C@H](CCCNC(=N)N)N)O MAI deoxo-methylarginine +c1cc2c(cc1S(=O)(=O)N)CCC2 MAJ indane-5-sulfonamide +C(=O)(C(=O)O)C(=O)O MAK alpha-ketomalonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O MAL maltose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MAM 1-o-methyl-alpha-d-mannose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O MAN alpha-d-mannopyranose +C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MAO 5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N MAP magnesium-5'-adenyly-imido-triphosphate +Cc1cccc2c1NC(=NC2=O)N MAQ 2-amino-8-methylquinazolin-4(3h)-one +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O MAR 4'-epi-4'-(2-deoxyfucose)daunomycin +CN(C)S(=O)(=O)O MAS dimethylsulfamic acid +CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O MAT 2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O MAU n-methyl kirromycin +[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O MAV alpha-d-mannopyranuronic acid +C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O MAW 4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid +COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O MAX matairesinol +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F MAY methyl arachidonyl fluorophosphonate +c1cc(cc(c1)N)COC=O MAZ formic acid 3-amino-benzyl ester +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C MB0 (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl MB1 2-chloro-5-nitrobenzenesulfonamide +c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB2 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CN1CCCC1=O MB3 1-methylpyrrolidin-2-one +Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB4 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C MB5 (5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl MB6 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB7 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +C/C=C(/C)\C(=O)O MB8 (2z)-2-methylbut-2-enoic acid +Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl MB9 (4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +CC[C@H](C)CN MBA 2-methylbutylamine +Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C MBB 2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N MBC 2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide +Cc1cccc(c1O)O MBD 3-methylcatechol +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O MBE 4-nitrophenyl beta-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O MBF 2-deoxy-2-fluoro-beta-d-mannopyranose +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MBG methyl beta-d-galactopyranoside +C[N@@+](Cc1ccccc1)(CC(=O)O)N MBH (1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3 MBK ~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +CCCCCn1cc(nc1N)c2ccccc2 MBL 1-pentyl-4-phenyl-imidazol-2-amine +Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5 MBM n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide +Cc1ccccc1 MBN toluene +c1cc(ccc1C(=O)O)[Hg] MBO mercuribenzoic acid +CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N MBP 1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol +Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N MBQ 2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine +C(Br)(Br)Br MBR tribromomethane +COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC MBS r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid +CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C MBT 3,7-bis(dimethylamino)phenothiazin-5-ium +CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C MBV mesobiliverdin iv alpha +Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5 MBW 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one +C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C MBX ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide +c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O MBY (2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol +Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MBZ 1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N MC 1,2-cis-1-hydroxy-2,7-diamino-mitosene +C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MC0 (s)-methylmalonyl-coenzyme a +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C MC1 methicillin acyl-serine +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N MC2 n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC MC3 1,2-dimyristoyl-rac-glycero-3-phosphocholine +C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C MC4 2-methylacetoacetyl coa +c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F MC5 (5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O MC8 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid +C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C MC9 calcipotriol +C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MCA methylmalonyl-coenzyme a +CC=O MCB methylene carbonyl group +C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O MCD methylmalonyl(carbadethia)-coenzyme a +CCCl MCE chloroethyl group +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O MCF (8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N MCG (s)-(alpha)-methyl-4-carboxyphenylglycine +C(Cl)(Cl)Cl MCH trichloromethane +c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O MCI (2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O MCJ n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O MCK n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O MCL nz-(1-carboxyethyl)-lysine +CC1=CC(=O)Oc2c1ccc(c2)N MCM 7-amino-4-methyl-chromen-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O MCN pterin cytosine dinucleotide +C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O MCO 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid +C[C@@H]1CCN[C@H](C1)C(=O)O MCP 2-carboxy-4-methylpiperidine +CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N MCQ {(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C(C(=O)O)S MCR sulfanylacetic acid +C([C@@H](C(=O)O)N)SC(=O)CC(=O)O MCS malonyl cysteine +Cc1ccc(c(c1)O)O MCT 4-methylcatechol +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O MCU methyl 4-o-methyl-beta-d-glucopyranuronate +COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC MCV 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine +COC1=CC(=O)C=CC1=O MCW 2-methoxycyclohexa-2,5-diene-1,4-dione +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C MCX (1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O MCY 5-methyl-2'-deoxycytidine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O MCZ (1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol +C[C@H](CCN)[C@H](C(=O)O)N MD0 5-amino-d-isoleucine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N MD1 phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester +C=C=CCNCCCCNCC=C=C MD2 n,n'-bis(2,3-butadienyl)-1,4-butane-diamine +c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD3 n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C MD4 (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane +c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD5 n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine +c1cc(c(nc1)C(=O)NCC(=O)O)O MD6 n-[(3-hydroxypyridin-2-yl)carbonyl]glycine +c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N MD7 (2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N MD8 (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O MD9 magnesium deuteroporphyrin ix +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O MDA 2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC MDB (s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O MDC n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide +C(C=O)C=O MDD malonaldehyde +CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O MDE 5-mercaptoethanol-2-decenoyl-coenzyme a +COC(=O)[C@H](c1cc(cc(c1)O)O)N MDF meta, meta'-di-hydroxy-phenylalanine +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O MDG 7n-methyl-8-hydroguanosine-5'-diphosphate +C\C=C(\C(=O)O)/NC MDH n-methyldehydrobutyrine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O MDJ 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one +CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N MDK 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F MDL [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine +C(P(=O)(O)O)P(=O)(O)O MDN methylenediphosphonic acid +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N MDO {2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O MDP n-carboxyl-n-methyl-beta-muramic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O MDQ 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate) +Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O MDR 9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine +CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N MDS n-[methionyl]-n'-[adenosyl]-diaminosulfone +CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MDU 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O MDV (7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol +COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O MDW (1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +C(CCCCCS)CCCCC(=O)O MDX 11-mercaptoundecanoic acid +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O MDY (2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N MDZ n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid +C(CSCO)[C@@H](C(=O)O)N ME0 hydroxy-l-methionine +c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O ME1 5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide +CCOCCOCCOC ME2 1-ethoxy-2-(2-methoxyethoxy)ethane +CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O ME3 ruthenium-pyridocarbazole-3 +c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O ME4 3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide +c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O ME5 5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide +C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N ME6 [(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O ME7 1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione) +CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ME8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate +C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O ME9 1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione) +CN[C@@H](Cc1ccccc1)C(=O)O MEA n-methylphenylalanine +CC(=C)C MEB 2-methylprop-1-ene +CCNC(=O)OC MEC ethyl-carbamic acid methyl ester +CSCC[C@H](C(=O)O)N MED d-methionine +CS MEE methanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N MEF n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid +C[C@@H](CC(=O)O)[C@@H](C(=O)O)N MEG (2s,3s)-2-azanyl-3-methyl-pentanedioic acid +C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C MEI (2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid +C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 MEJ 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO MEK 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide +c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N MEL [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O MEM (4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +CNC(=O)C[C@@H](C(=O)O)N MEN n-methyl asparagine +O.O MEO oxygens bound to met sd +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O MEP phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester +CNC(=O)CC[C@@H](C(=O)O)N MEQ n5-methylglutamine +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O MER (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid +C1COCC[NH+]1CCS(=O)(=O)[O-] MES 2-(n-morpholino)-ethanesulfonic acid +CSCC[C@@H](C(=O)O)N MET methionine +CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 l-methionine c-terminal deprotonated fragment +CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H l-methionine c-terminal protonated fragment +CSCC[C@@H](C(=O)O)N MET_LFOH l-methionine free neutral +CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW l-methionine free zwitterion +CSCC[C@@H]([C-]=O)[NH-] MET_LL l-methionine - linking embedded fragment +CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 l-methionine n-terminal protonated fragment +COC(=O)CN MEU o-methyl-glycine +C[C@@](CCO)(CC(=O)[O-])O MEV (r)-mevalonate +CC1=Nc2ccccc2C(=O)N1 MEW 2-methylquinazolin-4(3h)-one +c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O MEX 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl MEY n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide +C/C(=C\C(=O)O)/C(=O)O MEZ (2e)-2-methylbut-2-enedioic acid +CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O MF1 [(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid +C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O MF2 cis-2,6-dimethylmorpholinooctylcarbamyleseroline +C(CSC(F)(F)F)[C@@H](C(=O)O)N MF3 2-amino-4-trifluoromethylsulfanyl-butyric acid +F[Mg-2](F)(F)F MF4 tetrafluoromagnesate(2-) +C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F MF5 1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine +CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MF7 n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +[H]/N=C(/N)\N/C(=N\[H])/N(C)C MF8 metformin +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFA alpha-l-1-methyl-fucose +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O MFB methyl beta-l-fucopyranoside +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O MFC 5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one +C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC MFD (2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl MFE ~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine +[H]/N=C/C(=C)CCc1ccc(cc1)F MFG (1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine +c1cc(ccc1C[C@@H](CNC(=O)O)N)O MFH [(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid +CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O MFJ [(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MFK decanoyl-coa +c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl MFM (e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid +c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O MFN n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine +CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N MFO [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O MFP ((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O MFQ ((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MFR 4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MFT 3-methylthymidine 5'-(dihydrogen phosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFU methyl alpha-l-fucopyranoside +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O MFV {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C1CCC(=O)C1 MFW cyclopentanone +COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O MFX 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1CNCCS(=O)(=O)O)Cl MFY 2-[(4-chlorobenzyl)amino]ethanesulfonic acid +c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl MFZ 3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol +[Mg+2] MG magnesium ion +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N MG0 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol +CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N MG1 2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate) +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F MG2 (2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide +CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N MG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MG7 7-methylguanosine +CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O MG8 n-octanoyl-n-methylglucamine +CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N MG9 2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MGA beta-methyl-d-galactoside +[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C MGB methylglyoxal bis-(guanylhydrazone) +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O MGC methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N MGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC MGE (1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate +F[Mg-](F)F MGF trifluoromagnesate +C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N MGG 2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid +COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2 MGH methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate +Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O MGI methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate +CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGJ n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGK methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MGL methyl beta-d-glucopyranoside +CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C MGM 2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +C[C@](CCC(=O)N)(C(=O)O)N MGN 2-methyl-glutamine +C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGO [[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGP 7-methyl-guanosine-5'-triphosphate +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O MGQ 7-benzyl guanine monophosphate +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3 MGR malachite green +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O MGS methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O MGT 7n-methyl-8-hydroguanosine-5'-triphosphate +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F MGV p-fluoro-7-benzyl guanine monophosphate +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O MGW methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate +[H]/N=C(/N)\NC MGX 1-methylguanidine +CNCC(=O)O MGY n-methylglycine +c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MGZ (2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C MH0 mesoheme +Cn1cc(nc1)C[C@@H](C(=O)O)N MH1 1-methyl-l-histidine +O[Mn+2] MH2 manganese ion, 1 hydroxyl coordinated +O[Mn+3] MH3 manganese ion, 1 hydroxyl coordinated +Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3 MH4 1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1ccc(s1)CNc2cccc(c2)C(=O)O MH5 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid +[H]/N=C(\CO)/C(=O)O MH6 3-hydroxy-2-iminopropanoic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC MH7 n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide +C[C@](CCCC=C)(C(=O)O)N MH8 (2s)-2-amino-2-methylhept-6-enoic acid +CCCCCCC/C=C/C=C/C(=O)O MH9 (2e,4e)-dodeca-2,4-dienoic acid +C(C(=O)N)N(CC(=O)O)CC(=O)O MHA (carbamoylmethyl-carboxymethyl-amino)-acetic acid +Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O MHB 2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS MHC 3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one +Cn1cc(c2c1cccc2)O MHD 1-methyl-1h-indol-3-ol +CC(C)(C)CCC(=O)C(=O)O MHE 5,5-dimethyl-2-oxohexanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N MHF 5,10-methenyl-6,7,8-trihydrofolic acid +CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MHG 2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate +CCCCCC[P@@](=O)(O)OC MHH methyl hydrogen (r)-hexylphosphonate +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N MHI l-ala-gamma-d-glu-meso-diaminopimelic acid +c1ccc2c(c1)cccc2S(=O)(=O)N MHK naphthalene-1-sulfonamide +CC(C)(C[C@@H](C(=O)O)NC)O MHL n-methyl-4-hydroxy-leucine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MHM [7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron +CC(C)CCCCCO MHN 6-methylheptan-1-ol +C[S@](=O)CC[C@@H](C(=O)O)N MHO s-oxymethionine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C MHQ desmosterol +CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MHR 4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +Cn1cncc1C[C@@H](C(=O)O)N MHS n1-methylated histidine +CS[C@@H]1CN2CCC1CC2 MHT (3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane +CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O MHU 4-n,n-(dimethylamino)-l-phenylalanine +C1CN[C@@H](CC1=O)C(=O)O MHV 4-oxo-l-pipecolic acid +c1cc(c(nc1)C(=O)O)O MHW 3-hydroxypicolinic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O MHY {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MHZ 5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine +CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F MI0 (3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N MI1 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N MI2 2-(2-methylphenyl)-1h-indole-5-carboximidamide +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O MI3 3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate) +C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C MI4 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5 MI5 n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl MI6 (2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C MI9 oxomolybdenum mesoporphyrin ix +CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C MIA 2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate +CC(=O)\C=C\c1cn(c2c1cccc2)C MIB (3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one +C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O MIC alpha-methylisocitric acid +[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N MID 1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O MIF (5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one +C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O MIG (2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol +c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl MIH 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C MII methicillin +c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N MIK methyl isonicotinimidate lysine +CC1=C(C=C(C(=O)N1)C#N)c2ccncc2 MIL milrinone +Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3 MIM [cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N MIN methyl-phe-pro-amino-cyclohexylglycine +Cc1cc(on1)N MIO 3-methyl-1,2-oxazol-5-amine +CC(C)OP(=O)(O)O MIP monoisopropyl ester phosphonic acid +CCO[P@](=O)(O)OC[C@@H](C(=O)O)N MIR monoethylphosphorylserine +CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N MIS monoisopropylphosphorylserine +C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C MIT amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium +c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F MIU n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide +CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC MIV mycinamicin iv +c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO MIX 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione +CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O MIY (4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide +Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C MIZ 1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O MJ1 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1cc(cc(c1)S(=O)(=O)N)C MJ2 3,5-dimethylbenzenesulfonamide +Cc1ccc(s1)CNC[C@@H](C)O MJ4 (2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +Cc1ccc(c(c1)O)Oc2ccccc2 MJ5 5-methyl-2-phenoxyphenol +c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O MJ7 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O MJ8 5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine +C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O MJA (3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid +C1CN(CCN1)CCO MJB 2-piperazin-1-ylethanol +C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MJC dolichyl phosphate mannose +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C MJD (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O MJE 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O MJF [(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid +Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC MJG n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N MJH (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide +CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC MJI 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O MJJ methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N MJK (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4 MJM (4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one +c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N MJP 2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C MJQ n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide +B([C@H](CCCC[NH3+])N)(O)OC MJS (5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium +c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N MJT anthracene-9-sulfonamide +c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5 MJU (3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine +c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F MJV n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide +c1ccc(cc1)COc2ccccc2N MJW 2-phenylmethoxyaniline +C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br MJY 4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N MJZ (2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MK0 1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5 MK1 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N MK2 n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine +C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N MK3 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br MK4 {5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC MK5 2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C MK6 (5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 MK7 (2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide +CCCC[C@@](C)(C(=O)O)N MK8 2-methyl-l-norleucine +CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C MK9 n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide +C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F MKA 4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide +c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5 MKB 6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 MKC 6-benzyl-1-ethoxymethyl-5-isopropyl uracil +CCCCCC[C@@](C)(C(=O)O)N MKD (2s)-2-amino-2-methyloctanoic acid +CC(=O)[C@H](CCC(=O)O)N MKE (4s)-4-amino-5-oxohexanoic acid +C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F MKG 4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide +c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O MKH 1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione +Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F MKK 1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone +CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C MKM 3beta-(2-diethylaminoethoxy)androst-5-en-17-one +c1cc(sc1)c2ccc(s2)c3cc[nH]n3 MKN 3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole +Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4 MKP 3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide +c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3 MKQ 3,5-diphenylbenzenesulfonamide +CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F MKR 1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C MKS 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C MKT 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C MKU 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one +c1c(c(c([nH]1)Br)Br)Br MKV 2,3,4-tribromo-1h-pyrrole +CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl MKW 1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one +[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC MKY ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N ML0 4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine +CC(=O)NCCc1c[nH]c2c1cc(cc2)OC ML1 n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide +CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC ML2 n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide +C[N+](C)(C)CCSC[C@@H](C(=O)O)N ML3 2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium +Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N ML4 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine +CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N ML5 {(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid +c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N ML6 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine +c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3 ML7 n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4 ML8 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO ML9 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C(C(=O)O)C(=O)O MLA malonic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O MLB 6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O MLC malonyl-coenzyme a +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C MLD glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala +CC(C)C[C@@H](C(=O)O)NC MLE n-methylleucine +C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C MLG n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine +CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O MLH ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate +C(C(=O)[O-])C(=O)[O-] MLI malonate ion +c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F MLJ ~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide +CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C MLK methyllycaconitine +CC(C)C[C@@H](C(=O)OC)N MLL methyl l-leucinate +C(C(=O)N)C(=O)O MLM 3-amino-3-oxopropanoic acid +CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O MLN (s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide +C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O MLO 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol +C1CC1(N)[P@](=O)(O)[O-] MLP 1-aminocyclopropylphosphonate +CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl MLQ (2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O MLR maltotriose +Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2 MLS 2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +C([C@H](C(=O)O)O)C(=O)O MLT d-malate +CC(C)C[C@H](C(=O)O)NC MLU n-methyl-d-leucine +c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 MLV 2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O MLW 4-chloranyl-5~{h}-cyclohepta[b]indol-10-one +c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-] MLX n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide +CN(C)CCCC[C@@H](C(=O)O)N MLY n-dimethyl-lysine +CNCCCC[C@@H](C(=O)O)N MLZ n-methyl-lysine +CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC MM0 n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine +C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3 MM1 1,4,8,11-tetraaza-cyclotetradecane cu(ii) +c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8 MM2 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2 +CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C MM3 n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide +O=[Mo]=O MM4 molybdenum (iv) oxide +c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8 MM5 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii) +C1CN2CCN3[Ni]24N(C1)CCN4CCC3 MM6 nickel(ii)(1,4,8,11-tetraazacyclotetradecane) +Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MM7 (1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol +Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4 MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N MM9 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MMA methyl alpha-d-mannopyranoside +CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O MMB (2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid +C[Hg+] MMC methyl mercury ion +CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4 MMD 5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN[C@@H](CCSC)C(=O)O MME n-methyl methionine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O MMF dtdp-3-n-methylamino-3,6-dideoxygalactose +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O MMG 4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C MMH n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C MMI n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide +Cc1c(sc(n1)c2ccccc2)CNC MMJ n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine +CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O MMK 2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid +Cc1ccc(cc1)C(C)C MML 1-methyl-4-(1-methylethyl)benzene +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O MMM (s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid +CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O MMN 5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC MMO n~2~-methyl-l-arginine +CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C MMP n-methylmesoporphyrin +C(P(=O)([O-])[O-])S MMQ mercaptomethyl phosphonate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C MMR methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N MMS mimosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O MMT 5'-o-(dimethylamino)-thymidine +CNC(=O)NC MMU 1,3-dimethylurea +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O MMV 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F MMW 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide +c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 MMY 5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN1C=CNC1=S MMZ 1-methyl-1,3-dihydro-2h-imidazole-2-thione +[Mn+2] MN manganese (ii) ion +CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O MN0 methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CNCCC1C(=O)O MN1 4-carboxypiperidine +c1cc(ccc1C[NH3+])CNCCC(=O)O MN2 1-carboxyethylaminomethyl-4-aminomethylbenzene +[Mn+3] MN3 manganese (iii) ion +[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2] MN5 manganese ion, 5 waters coordinated +[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2] MN6 manganese ion, 6 waters coordinated +CC(C)CNCc1ccc(cc1)C(=O)O MN7 1-carboxy-4-isobutylaminomethylbenzene +CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O MN8 2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O MN9 2-(acetylamino)-2-deoxy-d-mannose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O MNA 2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid +c1cc(c(cc1S)C(=O)O)[N+](=O)[O-] MNB 5-mercapto-2-nitro-benzoic acid +C[N+]#[C-] MNC methyl isocyanide +CNC(=O)C[C@H](C(=O)O)N MND n-methyl-d-asparagine +C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O MNG menogaril +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MNH manganese protoporphyrin ix +CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O MNI n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F MNJ 4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C MNK (2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one +CC[C@@H](C)C[C@@H](C(=O)O)NC MNL 4,n-dimethylnorleucine +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO MNM (2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine +c1ccc(cc1)[C@@H](C#N)O MNN (s)-mandelic acid nitrile +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2 MNO (3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide +c1cc(cc(c1)[N+](=O)[O-])CC(=O)O MNP 2-(3-nitrophenyl)acetic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F MNQ m-nitrophenyl aminoethyldiphosphate beryllium trifluoride +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C MNR protoporphyrin ix containing mn +CN(C)c1cccc2c1cccc2S(=O)(=O)N MNS 5-(dimethylamino)-1-naphthalenesulfonamide +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N MNT 2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate +CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O MNU (2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate +CC(C)[C@@H](C(=O)N)NC MNV n-methyl-c-amino valine +c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O MNX 1,8-di-hydroxy-4-nitro-xanthen-9-one +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N MNY 5,8-di-amino-1,4-dihydroxy-anthraquinone +C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O MNZ (4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid +[Mo] MO molybdenum atom +C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O MO0 mannopine +[OH2][Mg+2] MO1 magnesium ion, 1 water coordinated +[OH2][Mg+2][OH2] MO2 magnesium ion, 2 waters coordinated +[OH2][Mg+2]([OH2])[OH2] MO3 magnesium ion, 3 waters coordinated +[OH2][Mg+2]([OH2])([OH2])[OH2] MO4 magnesium ion, 4 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2] MO5 magnesium ion, 5 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2] MO6 magnesium ion, 6 waters coordinated +[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-] MO7 bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi) +Cc1c2c(nc(n1)N)CCSC2 MO8 4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine +c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F MO9 (1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate +Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2 MOA mycophenolic acid +COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O MOB 2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N MOC carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester +CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MOD l-methionyl adenylate +COCC[O-] MOE methoxy-ethoxyl +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C MOF mometasone furoate +Cc1nc2c(o1)N=C(NC2=O)N MOG 5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one +CO MOH methanol +C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O MOI (7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol +Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F MOJ (5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime +Cc1c(c(no1)c2ccccc2)C(=O)O MOK 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N MOL 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +O[Mo](=O)=O MOM hydroxy(dioxo)molybdenum +c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O MON 4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol +[O-][Mo](=O)(=O)[O-] MOO molybdate ion +CC(C)CCC=O MOP 4-methylpentanal +C1COCCN1C(=O)O MOR morpholine-4-carboxylic acid +O=[Mo](=O)S MOS dioxothiomolybdenum(vi) ion +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MOT n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O MOU (1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid +CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C MOV amg 510 (bound form) +O=[Mo]S MOW oxo(sulfanyl)molybdenum(iv) ion +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O MOX (2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3 MOY [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone +C/C(=C(\C(=O)O)/N)/O MOZ (2z)-2-amino-3-hydroxybut-2-enoic acid +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC MP0 (2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide +CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C MP1 n-methylmesoporphyrin containing copper +c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O MP2 n-[(benzyloxy)carbonyl]-l-cysteinylglycine +C([C@H](C(=O)O)O)OP(=O)(O)O MP3 3-phosphoglyceric acid +Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O MP4 (2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid +Cc1ncc(c(n1)N)COP(=O)(O)O MP5 (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate +C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5 MP6 4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one +c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F MP7 1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide +C[C@@H]1C[C@H](NC1)C(=O)O MP8 (4r)-4-methyl-l-proline +c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N MP9 2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid +CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MPA (1r)-menthyl hexyl phosphonate group +COC(=O)c1ccc(cc1)O MPB 4-hydroxy-benzoic acid methyl ester +CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MPC (1s)-menthyl hexyl phosphonate group +C[C@@H](CC(C)(C)O)O MPD (4s)-2-methyl-2,4-pentanediol +c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS MPE (1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid +CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O MPG [(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate +CSCC[C@H](N)P(=O)(O)O MPH (1-amino-3-methylsulfanyl-propyl)-phosphonic acid +c1cc[n+]2cc[nH]c2c1 MPI imidazo[1,2-a]pyridine +CSCC[C@H](N)[P@H](=O)O MPJ (1-amino-3-methylsulfanyl-propyl)-phosphinic acid +Cc1c(c(no1)c2ccccc2)CO MPK (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O MPL n-methyl-pyridoxal-5'-phosphate +CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O MPM (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid +C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O MPN phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +C1COCCN1CCCS(=O)(=O)O MPO 3[n-morpholino]propane sulfonic acid +COc1ccc(cc1OC)CCC(=O)O MPP 3-(3,4-dimethoxyphenyl)propionic acid +CN[C@@H](c1ccccc1)C(=O)O MPQ n-methyl-alpha-phenyl-glycine +C(CS)C=O MPR 2-mercapto-propion aldehyde +C[P@H](=O)O MPS methylphosphinic acid +C(CS)C(=O)O MPT beta-mercaptopropionic acid +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O MPU d-monapterin +Cn1c(cc(n1)c2cccs2)N MPV 1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine +COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine +CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N MPX 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide +CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC MPY (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5 MPZ 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide +c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4 MQ0 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile +COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N MQ1 5-(4-methoxyphenoxy)-2,4-quinazolinediamine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br MQ2 ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O MQ4 (1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C MQ7 menaquinone-7 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C MQ8 menaquinone 8 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C MQ9 menaquinone-9 +CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC MQA [(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate +c1ccc2c(c1)c(co2)CC(=O)O MQB 2-(1-benzofuran-3-yl)ethanoic acid +[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N MQC 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide +C[C@@H](C[C@@](C)(CO)O)O MQD 2-methylpentane-1,2,4-triol +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C MQE 2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione +CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O MQG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C MQH bottromycin a2 +Cc1cc2cccc(c2nc1)S(=O)=O MQI 8-hydrosulfonyl-2-methylquinoline +c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F MQJ 2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl MQM 7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine +Cc1ccc2cc(ccc2n1)N MQN 2-methylquinolin-6-amine +Cc1cc2c(c(c1)OC)NC=CC2=O MQO 8-methoxy-6-methylquinolin-4(1h)-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 MQP [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 MQQ n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide +C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQR [(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQS [(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O MQT methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside +COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N MQU 7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6 MQV 7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine +CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C MQW (4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F MQY (5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C MQZ bottromycin a2 derivative +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N MR0 n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide +c1cc2c(cc1CN)OCO2 MR1 1-(1,3-benzodioxol-5-yl)methanamine +c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-] MR2 3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one +Cn1cccc1 MR3 1-methyl-1h-pyrrole +Cc1cc(cc(c1O)C)c2nc3ccccc3o2 MR4 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol +c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br MR5 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol +Cc1cc(cc(c1)c2nc3ccccc3o2)C MR6 2-(3,5-dimethylphenyl)-1,3-benzoxazole +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC MR8 28-o-methylrapamycin +Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F MR9 4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO MRA 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC MRB bottromycin a2 derivative +CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O MRC mupirocin +C[C@H](CC(C)(C)O)O MRD (4r)-2-methylpentane-2,4-diol +CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O MRE 2-(4-dimethylaminophenyl)diazenylbenzoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS MRG n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C MRH 4-acetamido-4,6-dideoxy-alpha-d-mannopyranose +c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MRI 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one +CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MRJ n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3 MRK 2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide +C1CN(CCC1N)C(=O)O MRM 4-aminopiperidine-1-carboxylic acid +Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C MRN 2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide +c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O MRO 2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O MRP 3-o-methyl-alpha-l-rhamnopyranose +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N MRQ (14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide +CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRR (r)-2-methylmyristoyl-coenzyme a +CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRS (s)-2-methylmyristoyl-coenzyme a +CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6 MRT (5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid +CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O MRU 5-s-methyl-1-o-phosphono-5-thio-d-ribulose +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C MRV 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide +c1cc2c(ccnc2cc1Cl)O MRW 7-chloroquinolin-4-ol +c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3 MRX 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide +C([C@H]([C@H](CO)O)O)O MRY meso-erythritol +[H]/N=C(\N)/N1CCCCC1 MRZ piperidine-1-carboximidamide +COc1ccc2c(c1)occ2CC(=O)O MS0 (6-methoxy-1-benzofuran-3-yl)acetic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N MS1 2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid +C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C MS2 2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide +CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4 MS3 n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine] +c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N MS4 3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate +COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N MS5 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate +CSCC[C@@H](CS)N MS6 (2s)-2-amino-4-(methylsulfanyl)butane-1-thiol +CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N MS7 o-benzyl-n-methyl-l-tyrosinamide +C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1 MS8 (2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +COC(=O)c1ccc(cc1N)Cl MS9 methyl 2-amino-4-chlorobenzoate +CN[C@@H](C(=O)O)SC MSA (2-s-methyl) sarcosine +COc1ccc(cc1)S(=O)=O MSB 1-methyloxy-4-sulfone-benzene +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F MSC 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide +CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC MSD 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea +C[Se]CC[C@@H](C(=O)O)N MSE selenomethionine +C[Se]CC(=O)[O-] MSF [methylseleno]acetate +C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MSG 7-methyl-6-thio-guanosine +CCC[C@@H](CC)S(=O)(=O)C MSH 3-methanesulfonyl-hexane +CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4 MSI 1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione +CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2 MSJ n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide +S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe] MSK broken fe4s4 cluster +C[S@](=N)(=O)CC[C@@H](C(=O)O)N MSL (2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid +CSC MSM (methylsulfanyl)methane +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MSN (1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol +C[Se@@](=O)CC[C@@H](C(=O)O)N MSO selenomethionine selenoxide +CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MSP 5'-o-[(l-methionyl)-sulphamoyl]adenosine +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC MSQ 4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline +c1cc(ccc1n2ccnc2)O MSR 4-(1h-imidazol-1-yl)phenol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O MSS (molybdopterin-s,s)-oxo-molybdenum +CCNc1nc(nc(n1)SC)NC(C)(C)C MST 2-t-butylamino-4-ethylamino-6-methylthio-s-triazine +COC(=O)CCC(=O)O MSU succinic acid monomethyl ester +CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1 MSW [(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid +CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O MSX methyl 1,6-dithio-alpha-d-mannopyranoside +CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N MSY 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide +c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MSZ (2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +Cc1c2ccccc2c(nn1)Cl MT0 1-chloro-4-methylphthalazine +CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MT1 n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid +CC[S@@+](C)CC[C@@H](C(=O)O)N MT2 [(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5 MT3 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one +CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC MT4 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one +CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O MT5 n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium +COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O MT6 methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O MT7 alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C[C@]1(CCN2c3c1cccc3CCC2=O)O MT8 (1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one +CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O MT9 (3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MTA 5'-deoxy-5'-methylthioadenosine +CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O MTB 2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid +COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O MTC [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester +C[Te]CC(=O)[O-] MTD [methyltelluro]acetate +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O MTE phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester +CNC=S MTF n-methylthioformamide +CSCC(=O)[O-] MTG [methylthio]acetate +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O MTH 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol +CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O MTI 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium +CN[C@@H](Cc1ccc(cc1)OC)C(=O)O MTJ n,o-dimethyl-l-tyrosine +CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O MTK montelukast +C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O MTL d-mannitol +CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O MTM (3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol +CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C MTN s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +O MTO bound water +CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MTP 2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O MTQ (molybdopterin-s,s)-dioxo-thio-molybdenum(vi) +CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MTR (5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC MTS (4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O MTT maltotetraose +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MTU 9-beta-d-ribofuranosyl-9h-purin-2-amine +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O MTV (molybdopterin-s,s)-dioxo-thio-molybdenum(iv) +c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4 MTW hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MTX methotrexate +c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY meta-tyrosine +Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2 MTZ 4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O MU0 (5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C MU1 n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide +C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MU2 n-acetylmuramyl-l-alanyl-d-isoglutamine +CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MU4 n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4 MU5 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide +COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC MU7 n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide +c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl MU8 (2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide +CN1C2=C(C(=O)NC(=O)N2)NC1=O MUA 9-methyl uric acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MUB n-acetyl-alpha-muramic acid +C1=CC(=O)O[C@H]1CC(=O)O MUC [(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O MUD n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc2cc(ccc2c1)S(=O)(=O)N MUE naphthalene-2-sulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C MUF (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O MUG 4-methylumbelliferyl-alpha-d-glucose +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F MUH n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUI (5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N MUJ 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine +Cc1cc(nc(n1)Nc2ccccc2)C MUK 4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine +CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C MUL tiamulin +C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O MUM 5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine +CCCCCCCC/C=C/C(=O)OC[C@H](CO)O MUN [(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate +CCCCCCCCCCC[P@](=O)(O)OC MUP methoxyundecylphosphinic acid +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N MUQ 4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N MUR beta-muramic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O MUS 4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUT (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O MUU n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O MUV n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide +CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN MUW n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O MUX (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate +CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O MUY (r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid +[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N MUZ [(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid +CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O MV1 (2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide +CC(C)(CO)[C@@H](C(=O)NCCCO)O MV2 (2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide +c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N MV4 7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine +C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N MV5 (2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O MV7 n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC(C)[C@H](C(=O)O)NC MV9 (2~{r})-3-methyl-2-(methylamino)butanoic acid +CC(C)[C@@H](C(=O)O)NC MVA n-methylvaline +C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O MVB (1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol +CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O MVC monovaccenin +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O MVD 2alpha-methyl-1alpha,25-dihydroxy-vitamin d3 +CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6 MVE cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N MVF (2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O MVG 4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid +CC(=CC(=O)NC)OP(=O)(O)OC MVH methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O MVI mycinamicin vi +c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2 MVJ 5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C MVK 4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O MVL (5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5 MVM n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide +CC1=CC(=O)Nc2c1cc(cc2)Cl MVN 6-chloro-4-methyl-1h-quinolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O MVP (1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol +CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5 MVQ (2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide +CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F MVT 3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MVV (2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C MVW 5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole +COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MVY methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br MVZ 5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine +Cc1ccc(o1)CO MW0 (5-methylfuran-2-yl)methanol +[OH2][Mn+2] MW1 manganese ion, 1 water coordinated +[OH2][Mn+2][OH2] MW2 manganese dihydrate ion +[OH2][Mn+2]([OH2])[OH2] MW3 manganese ion, 3 waters coordinated +CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MW4 ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl MW5 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one +C=Cc1ccc(cc1)C(=O)O MW7 4-ethenylbenzoic acid +c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br MW8 5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide +CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWA (3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide +c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4 MWB n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine +Cc1ccc(o1)CON(O)O MWC dihydroxy[(5-methylfuran-2-yl)methoxy]amine +CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWD (3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O MWG (3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate +Cc1cc(ccc1O)Br MWJ 4-bromo-2-methylphenol +c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5 MWL 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine +Cc1cc(ccc1O)F MWM 4-fluoro-2-methylphenol +c1cc2c(cc1N)S(=O)(=O)C=C2 MWP 1-benzothiophen-6-amine 1,1-dioxide +c1c([nH]cn1)CCC(=O)O MWQ 3-(1~{h}-imidazol-5-yl)propanoic acid +C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O MWS 4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN MWT 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one +CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F MWV (1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate +c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN MWW 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C MWY (3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate +C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN MWZ 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine +CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O MX0 (1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O MX1 (2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid +CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N MX3 (1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid +c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N MX4 {1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid +c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N MX5 {1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MX7 (2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO MX8 4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC MXA 6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine +Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O MXB (r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide +C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O MXC (2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid +c1c([n+](c(nc1N2CCCCC2)N)[O-])N MXD 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide +COCCO MXE 2-methoxyethanol +C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O MXF (2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C MXG 2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N MXH 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea +CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N MXI 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine +CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl MXJ (3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O MXK (2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O MXL moxalactam +Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O MXM 4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +c1ccc(cc1)[C@H](C#N)O MXN (2r)-hydroxy(phenyl)ethanenitrile +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C MXP myxopyronin b +C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO MXQ (1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C MXR (2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O MXS (2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid +CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C MXT 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione +CC1=CC(=O)N(c2c1c(ccc2OC)OC)C MXX 5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O MXY 2-o-methyl-beta-l-fucopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O MXZ 2-o-methyl-alpha-l-fucopyranose +C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N MY0 (2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid +c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY1 [n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid +c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY2 {1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY3 [n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid +c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY4 (1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY5 {1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +Cn1cnc2c1C(=O)NC(=N2)N MY6 2-amino-7-methyl-1,7-dihydro-6h-purin-6-one +CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O MY7 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid +CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C MY8 mycinamicin viii +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O MY9 n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MYA tetradecanoyl-coa +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O MYB decarboxylated myriocin +c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MYC 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2 MYD {[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br MYE n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide +c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O MYF 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O MYG (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1ccc2c(c1)c(c[nH]2)CC(=O)O MYI (5-methoxy-1h-indol-3-yl)acetic acid +Cc1cc(ccc1O)N(=O)=O MYJ 2-methyl-4-nitrophenol +CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N MYK n~6~-tetradecanoyl-l-lysine +C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C MYL mycalamide a +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MYM s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate +C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N MYN (2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4 MYP 4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide +C([C@@H](C(=O)O)S[Au])C(=O)O MYQ (s)-(1,2-dicarboxyethylthio)gold +CCCCCCCCCCCCCC(=O)O MYR myristic acid +CCCCCCCCCCCCCCC MYS pentadecane +CC(C)(c1cccnc1)C(=O)c2cccnc2 MYT metyrapone +c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O MYU 3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O MYV mycinamicin v +B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N MYW nidocarborane +C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC MYX (2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC MYY (2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate +CCCC/C=C\CCCCCCCC(=O)O MYZ myristoleic acid +c1c([nH]cn1)CO MZ0 1h-imidazol-5-ylmethanol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C MZ1 n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide +C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F MZ2 (2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide +Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O MZ3 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide +COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O MZ4 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ5 (2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ6 n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide +CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ7 n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ8 n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC MZ9 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5 MZA 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MZB (1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol +CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC MZC methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MZD s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N MZE 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea +Cc1cc(ccc1O)Cl MZG 4-chloro-2-methylphenol +C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O MZH 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione +C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4 MZJ 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one +c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F MZK 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one +CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4 MZL n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide +CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C MZM n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O MZN 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one +COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 MZO n-(3-methoxyphenyl)-9h-purin-6-amine +c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N MZP 4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F MZQ 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N MZR 5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F MZS 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +C[C@H](CCC(=O)O)[N+](C)(C)C MZT 4-(trimethylammonio)pentanoic acid +c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4 MZV 3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +CCc1nnc(s1)N MZW 5-ethyl-1,3,4-thiadiazol-2-amine +CC1=CC(=O)Nc2c1c(ccc2OC)OC MZX 5,8-dimethoxy-4-methylquinolin-2(1h)-one +C1=CNC(=S)N1 MZY 1,3-dihydroimidazole-2-thione +c1cc(ccc1C(=O)n2ccnc2)N MZZ (4-aminophenyl)-imidazol-1-yl-methanone +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O N any 5'-monophosphate nucleotide +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O N01 3-acetylpyridine adenine dinucleotide +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O N02 (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C N03 1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3 N04 (2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N N05 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid +Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 N07 [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone +c1cc(oc1)C(=O)NCCc2ccc(cc2)F N08 ~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide +COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4 N09 n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide +c1cc(cc(c1)F)C[C@@H](C(=O)O)N N0A 3-fluoro-l-phenylalanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N N0B adenylated norbornene +Cc1ccc(c(c1)C)O N0D 2,4-dimethylphenol +c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O N0E ~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide +C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O N0G 2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide +c1ccc(cc1)OCC(=O)Nc2ccccc2O N0H ~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide +CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0J (4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O N0K 5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0M (4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO N0N 5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2 N0P (4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0Q 5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0S (4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO N0T (1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol +COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8 N0V (3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0W 5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N N0Z 2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol +CCCCCCNC(=O)OC[C@@H](C(=O)O)N N10 o-[(hexylamino)carbonyl]-l-serine +c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO N11 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol +[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N N12 n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine +c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F N13 2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide +C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N14 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 N15 2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide +C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3 N16 (3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione +Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4 N17 3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide +COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 N18 methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate +c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N N19 4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N1A 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C N1B (s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O N1C n1-cyclic inosine 5'-diphosphoribose +CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC N1D 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one +COC(=O)c1ccc2c(c1)cccn2 N1E methyl quinoline-6-carboxylate +c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4 N1G 1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O N1H {5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid +CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F N1J n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N N1L 2-amino-2-deoxy-beta-d-glucopyranuronic acid +CNC(=O)c1ccccc1I N1M 2-iodo-n-methylbenzamide +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl N1N 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid +CCC[N+](=O)[O-] N1P 1-nitropropane +COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F N1Q 5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C N1S (2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-] N1T 1'-deazo-thiamin diphosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N1V (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O N1W (2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid +Cc1ccc(o1)[C@@H]2CCCCO2 N1X (2s)-2-(5-methylfuran-2-yl)oxane +c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl N1Y 2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine +CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-] N1Z hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O N20 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine +c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O N21 (2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC N22 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3 N23 n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide +c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl N24 (2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one +CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C N25 1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide +c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O N26 naphthalene-2,6-diyl bis[dihydrogen (phosphate)] +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4 N27 n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide +c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO N28 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl N2A n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide +CCc1ccccc1 N2B ethylbenzene +CN[C@@H](CSC)C(=O)O N2C n,s-dimethylcysteine +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl N2D n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide +Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C N2E ~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-] N2F 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran +c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3 N2G 2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C(CCNC(O)O)CN N2H (4-azanylbutylamino)methanediol +C=Nc1ccc2ccccc2c1 N2I n-(naphthalen-2-yl)methanimine +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N2J n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F N2K ~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide +c1cc2cc(ccc2c(c1)N)S(=O)(=O)O N2M 5-amino-naphtalene-2-monosulfonate +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2N dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +N#[N+][O-] N2O nitrous oxide +C(CCN)CCN N2P pentane-1,5-diamine +Cc1ccc(o1)c2ccn[nH]2 N2Q (5p)-5-(5-methylfuran-2-yl)-1h-pyrazole +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2R dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2S chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F N2T (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide +CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl N2V n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2W chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl N2Y (2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine +c1ccc(c(c1)c2[nH]cnn2)Cl N2Z 3-(2-chlorophenyl)-4~{h}-1,2,4-triazole +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N N30 (1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N32 2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N N33 (2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol +CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N34 n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide +CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N35 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O N37 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine +COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO N38 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide +C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N3A 2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid +c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F N3B n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl N3C 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CNCCCN N3D n-methylpropane-1,3-diamine +C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO N3E 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N N3F {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N N3G n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N3H n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CC(=O)Nc1cccc(c1)N N3M n-(3-aminophenyl)acetamide +c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O N3P n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide +c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO N3Q 2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol +Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N N3T 3'-deazo-thiamin diphosphate +c1cc(c(c(c1)N)Cl)c2[nH]cnn2 N3W 2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline +CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC N3Z ~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide +CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO N40 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide +c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N41 4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C N42 n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide +C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4 N44 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate +CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3 N45 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione +Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC N47 n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine +CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C N48 4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N N4A 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide +CCCCc1ccccc1 N4B n-butylbenzene +[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N N4C n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC N4D n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +CCOc1ccc(cc1)NC(=O)C N4E n-(4-ethoxyphenyl)acetamide +c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N N4I 4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6 N4K 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole +C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O N4M 1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol +c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O N4N 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid +C(CCN(CCCN)CCCN)CN N4P n,n-bis(3-aminopropyl)butane-1,4-diamine +COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC N4Q 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine +CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2 N4R nexturastat a +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O N4S n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F N4T (1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine +CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4 N4W ~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine +COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C N4Z ~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine +Cc1c(nc(nc1OC)OC)C=C(CO)CO N50 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol +CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5 N51 4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide +CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C N53 n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide +C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3 N55 2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol +c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl N56 (3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O N57 (2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3 N58 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N N5A 5'-n-[(2-amino)ethyl carboxamido] adenosine +c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3 N5B n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-] N5C 5-nitrocytidine 5'-(tetrahydrogen triphosphate) +Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3 N5D n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O N5F (2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid +C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O N5G n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid +C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O N5H (2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid +c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-] N5I 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole +c1cncc2c1C(=O)NC=N2 N5J 3h-pyrido[3,4-d]pyrimidin-4-one +COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N N5K 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] N5M 5-nitrocytidine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3 N5N 2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N N5O 5'-n-(2-hydroxyl)ethyl carboxyamido adenosine +c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-] N5P 1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole +c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid +Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O N5S n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea +CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F N5T (2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +CCNC(=O)Nc1nccs1 N5V n-ethyl-n'-1,3-thiazol-2-ylurea +c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F N5W 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3 N5Y n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide +c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F N5Z 1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3 N61 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O N62 ~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide +Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 N64 n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea +CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C N65 (2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC N66 ~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC N67 n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide +C(CCCOP(=O)(O)O)CCN N68 6-aminohexyl dihydrogen phosphate +CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 N69 6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 N6A n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O N6B 4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide +CCCCCC[N+](=O)[O-] N6C 1-nitrohexane +Cc1cc(no1)NC(=O)Nc2cccc(c2)COC N6D n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O N6E n6-methyladenosine 5'-triphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N N6G ((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C N6H [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 N6J n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N N6L d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide +CNc1c2c([nH]cn2)ncn1 N6M n-methyl-9h-purin-6-amine +c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O N6P 6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine +CC(C)CCCC(=C)C=C N6Q 7-methyl-3-methylidene-oct-1-ene +C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O N6R (2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O N6S (2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O N6T 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine +CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C N6V n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N N6W benzo[b][1]benzazepine-11-carboxamide +c1cc(cc(c1)N)c2cccnc2 N6Y 3-(pyridin-3-yl)aniline +CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F N6Z ~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide +Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2 N71 n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea +C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O N72 (2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 N73 (2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3 N74 n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O N75 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid +c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N76 3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide +c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-] N77 7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N78 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O N79 [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N N7A 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7B ~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO N7D 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7E n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide +c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6 N7F 6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7G (2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide +Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C N7H delta-meso nitroheme +COc1cc(ccc1O)/C=C/CO N7I 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol +c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2 N7J (2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7K ~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N N7M 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide +c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO N7N (3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O N7O (s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid +CC(=O)N1CCC[C@H]1C(=O)O N7P 1-acetyl-l-proline +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Q ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O N7R n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O N7T (2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N N7V 3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7W ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC N7X 5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N N7Y adenosine 3',5'-bis(trihydrogen diphosphate) +CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Z ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide +C=CN1CCC[C@H]1C(=O)O N80 1-ethenyl-l-proline +C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O N81 3-carboxy-2,3-dideoxy-d-erythro-pentaric acid +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N82 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N85 n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O N87 (1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid +CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O N88 (1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid +c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide +CCCCCCCC[N+](=O)[O-] N8C 1-nitrooctane +CCCCCCCCOCCOCCOCCOCCOCCO N8E 3,6,9,12,15-pentaoxatricosan-1-ol +C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F N8G [[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5 N8J (2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5 N8K n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N N8M 5'-deoxy-5'-(dimethylamino)-8-methyladenosine +c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl N8N (2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one +CC(=O)N1CCC[C@@H]1C(=O)O N8P n-acetyl-d-proline +c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3 N8Q 4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione +Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N N8S 4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6 N8T n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine +CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO N8V (1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O N8W ~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide +COc1ccc2c(c1)c(ncn2)N N8Y 6-methoxyquinazolin-4-amine +CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl N8Z 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol +CC(=O)Nc1ccc2c(c1)ncn2C N91 n-(1-methylbenzimidazol-5-yl)acetamide +c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl N92 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid +CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl N93 5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine +c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N N94 4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide +B(c1cnn(c1)c2cc(ncn2)Cl)(O)O N95 [1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid +c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F N97 4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide +COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5 N98 methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate +CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N N9A (3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC N9B 1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one +CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N N9D (3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid +CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4 N9G 6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide +CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3 N9H (5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide +c1ccc(cc1)COC(=O)NO N9J benzyl hydroxycarbamate +CN[C@@H](Cc1ccc(cc1)O)C(=O)O N9K (2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid +c1ccc(cc1)COC(=O)NOC(=O)O N9M benzyl (carboxyoxy)carbamate +c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O N9N (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone +c1cnccc1C[C@@H](C(=O)O)N N9P 3-pyridin-4-yl-l-alanine +c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O N9Q 4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O N9S 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose +COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4 N9T (1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide +CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O N9V 5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) +CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1 N9W 4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide +c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O N9Y (3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide +CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C N9Z 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile +[Na+] NA sodium ion +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O NA0 3-acetylpyridine adenine dinucleotide phosphate +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O NA1 2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose +[OH2-][Na+][OH2-] NA2 sodium ion, 2 water coordinated +c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O NA3 (3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid +c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O NA4 4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid +[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-] NA5 sodium ion, 5 waters coordinated +[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-] NA6 sodium ion, 6 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N NA7 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+] NA8 (1s)-1-carboxy-2-naphthalen-2-ylethanaminium +[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N NA9 n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAA 2-acetamido-2-deoxy-beta-d-allopyranose +c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O NAB 2-((4'-hydroxynaphthyl)-azo)benzoic acid +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAC 3-acetyl pyridine adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAD nicotinamide-adenine-dinucleotide +CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAE nicotinamide adenine dinucleotide acetone adduct +C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O NAF m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAG 2-acetamido-2-deoxy-beta-d-glucopyranose +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAH nicotinamide-adenine-dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N NAI 1,4-dihydronicotinamide adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N NAJ nicotinamide-adenine-dinucleotide (acidic form) +CC(=[NH2+])C(=O)[O-] NAK amino-acrylate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N NAL beta-(2-naphthyl)-alanine +c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N NAM nam napthylaminoalanine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O NAN 5-n-acetyl-alpha-d-neuraminic acid +[OH2-][Na+] NAO sodium ion, 1 water coordinated +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NAP nadp nicotinamide-adenine-dinucleotide phosphate +CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAQ nicotinamide adenine dinucleotide 3-pentanone adduct +c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O NAR naringenin +c1ccc2cc(ccc2c1)S(=O)(=O)O NAS 2-naphthalenesulfonic acid +CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C NAT ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O NAU 4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O NAV 6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid +[OH2-][Na+]([OH2-])[OH2-] NAW sodium ion, 3 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N NAX beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide +CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O NAY 6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid +Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4 NAZ n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide +CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NB1 (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NB2 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O NB4 (2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F NB5 7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F NB7 n'-[(2-fluorophenyl)sulfonyl]benzohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N NB8 5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +CNCCCNCCCNCCC(O)O NBA 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol +CCCCNS(=O)(=O)c1ccccc1 NBB n-butyl-benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O NBC s-4-nitrobutyryl-coa +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O NBD n6-benzyl-nicotinamide-adenine-dinucleotide +c1ccc(cc1)N=O NBE nitrosobenzene +B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O NBF [(2-ethoxy-1-naphthoyl)amino]methylboronic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O NBG n-acetyl-beta-d-glucopyranosylamine +CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC NBH n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide +c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-] NBI 2-nitro-n-phenylbenzamide +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I NBJ n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F NBK 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2 NBL n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide +c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] NBM 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine +CCCC[N+]#[C-] NBN n-butyl isocyanide +CC(=O)CCc1ccc2cc(ccc2c1)OC NBO nabumetone +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N NBP nicotinamide 8-bromo-adenine dinucleotide phosphate +c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N NBQ 2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C NBR 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O NBS n6-benzyl adenosine-5'-diphosphate +CC[C@H](C)[N+](=O)[O-] NBT (2s)-2-nitrobutane +CCCC NBU n-butane +CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NBV (2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol +CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C NBW ~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N NBX n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] NBY n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[N+](=O)[O-] NBZ nitrobenzene +CN NC methylamine group +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N NC1 nitrocefin acyl-serine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N NC2 nitrocefin acyl-serine +C1CCC(CC1)NC(=O)NCC(=O)O NC3 n-[(cyclohexylamino)carbonyl]glycine +C1CCC(CC1)NC(=O)NCCCC(=O)O NC4 4-{[(cyclohexylamino)carbonyl]amino}butanoic acid +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC NC5 3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide +C1CCC(CC1)NC(=O)NCCCCCC(=O)O NC6 6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid +C1CCC(CC1)NC(=O)NCCCCCCC(=O)O NC7 7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N NC8 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N NC9 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium +c1cc(cnc1)C(=O)N NCA nicotinamide +C[C@H](C(=O)O)NC(=O)N NCB n-carbamoyl-alanine +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O NCC cytidine-5'-monophosphate-5-n-acetylneuraminic acid +C([C@@H](C(=O)O)NC(=O)N)C(=O)O NCD n-carbamoyl-l-aspartate +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5 NCE 3,6-bis[(3-morpholinopropionamido)] acridine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O NCF (2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC NCG [(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene +C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] NCH p-nitrophenyl-phosphocholine +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC NCI 3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine +C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C NCJ 3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine +CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C NCK 3,6-bis[3-(4-methylpiperidino)propionamido]acridine +C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C NCL 3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine +C1C[C@@H]2C[C@H]1CC2=O NCM norcamphor +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O NCN nicotinate mononucleotide +[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3] NCO cobalt hexammine(iii) +N[Pt](N)(Cl)Cl NCP cis-diaminodichloroplatinum +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5 NCQ 3,6-bis[3-(azepan-1-yl)propionamido]acridine +Cc1ccc(c(c1)[N+](=O)[O-])O NCR 2-nitro-p-cresol +Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC NCS spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]] +C[N@@]1CCC[C@H]1c2cccnc2 NCT (s)-3-(1-methylpyrrolidin-2-yl)pyridine +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NCU [(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CC1=C(N(C(=O)NC1=O)C)CC(CO)CO NCV n-methyl-6-(1,3-dihydroxy-isobutyl)thymine +CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O NCW (1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide +c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N NCX 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide +CN[C@@H](CS)C(=O)O NCY n-methylcysteine +Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC NCZ 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester +[Nd+3] ND neodymium ion +CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F ND1 (2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide +CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C ND2 4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine +CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C ND3 2,2-dimethyl-3-dehydroquinic acid +[2H][N+]([2H])([2H])[2H] ND4 ammonium cation with d +c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br ND5 3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N ND7 5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)cc(s2)C(=O)O ND8 benzothiophene 2 carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN NDA 3-aminomethyl-pyridinium-adenine-dinucleotide +C[N+](C)(CCCS(=O)(=O)O)CCO NDB n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium +c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O NDC nicotinamide adenine dinucleotide cyclohexanone +c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O NDD 2,6-dicarboxynaphthalene +c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NDE adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O NDF n-(carboxycarbonyl)-d-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O NDG 2-acetamido-2-deoxy-alpha-d-glucopyranose +c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O NDH (1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene +CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O NDJ (2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +Cn1c[n+](c2c1NC(NC2O)N)C NDM 7,9-dimethylguanine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDN 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N NDO nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDP nadph dihydro-nicotinamide-adenine-dinucleotide phosphate +Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O NDQ 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NDR (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one +CC[N+](C)(C)CCCS(=O)(=O)[O-] NDS ethyl dimethyl ammonio propane sulfonate +B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O NDT 2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol +C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDU 2'-deoxy-5-nitrouridine 5'-monophosphate +CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C NDV (2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDW alpha-nadph +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C NDX [[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O NDY (1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O NDZ (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl NE1 2',3,3',4',5-pentachlorobiphenyl-4-ol +c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl NE2 3,3',4',5-tetrachlorobiphenyl-4-ol +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O NE5 5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid +CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C NE6 methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NE7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NE8 6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N NEA 5'-deoxy-5'-[2-(amino)ethylthio]adenosine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+] NEB 2-deoxy-d-streptamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NEC n-ethyl-5'-carboxamido adenosine +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+] NED 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3 NEE 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O NEF nitrocefin - open form +C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N NEG negamycin +CCN NEH ethanamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O NEI (2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NEJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(ccc1/C=N/OCCC(=O)O)O NEK 3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N NEM ne2-methylated histidine +CCN1C(=O)CCC1=O NEN 1-ethyl-pyrrolidine-2,5-dione +c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O NEO neopterin +c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N NEP n1-phosphonohistidine +CCN1C(=O)C=CC1=O NEQ n-ethylmaleimide +CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O NER (15e)-tetracos-15-enoic acid +C(CS(=O)(=O)O)NC(CO)(CO)CO NES 2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid +CC[N+](CC)(CC)CC NET tetraethylammonium ion +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O NEU l-neopterin +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NEV nevirapine +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl NEW 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol +C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C NEX (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol +Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NEZ 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O NF n,n'-(3,7-diazanonylene)-bis-naphthalimide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O NF1 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O NF2 (1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol +CCOC(=O)/C=C\C(=O)O NF3 (~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NF4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br NF5 4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O NF6 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NF7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F NF8 (2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol +c1ccc(cc1)C[C@@H](C(=O)N)N NFA phenylalanine amide +C(=O)[Fe](C=O)(C#N)O[Ni] NFB ni-fe active center b-form +C(=O)[Fe](C=O)(C#N)O(=O)[Ni] NFC ni-fe active center a-form +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N NFD nicotinamide 2-fluoro-adenine dinucleotide +C(=O)=[Fe](=C=O)(SO)S[Ni] NFE ni-fe active center +CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O NFF (2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F NFG 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside +CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C NFH n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NFJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O NFK n'-formylkynurenine +c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F NFL 2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid +Cc1ncc(c(n1)N)CNC=O NFM n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide +CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] NFN 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +C(=O)[Fe](C=O)(C#N)O[Ni] NFO ni-fe oxidized active center +c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N NFP (1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine +[H]/N=C/N[C@@H](CC(=O)O)C(=O)O NFQ n-[(e)-iminomethyl]-l-aspartic acid +C(=O)[Fe](C=O)(C#N)[Ni] NFR ni-fe reduced active center +S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51 NFS fe(4)-ni(1)-s(5) cluster +CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F NFT n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide +C(=O)[Fe](C#N)(C#N)[Ni] NFU formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni) +C(#N)[Fe](C#N)(C#O)O[Ni] NFV ni-fe oxidized active center +CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O NFW (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4 NFX 7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-] NFZ nitrofurazone +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O NG1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C NG2 n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N NG3 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NG4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NG5 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NG6 2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 NG7 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide +[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F NG8 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O NGA 2-acetamido-2-deoxy-beta-d-galactopyranose +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O NGB 4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGC n-glycolyl-alpha-neuraminic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N NGD 3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGE n-glycolyl-beta-neuraminic acid +C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O NGF 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid +CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC NGH n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O NGI 2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine +CCC1=Cc2c(cccc2N)C(=O)N1 NGJ 5-amino-3-ethylisoquinolin-1(2h)-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O NGK 2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O NGL acetylgalactosamine-4-sulfate +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGM nogalamycin +[NH4+] NGN nitrogen +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O NGO 2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC NGP nogalamycin (protonated form) +[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O NGQ n-carbamimidoyl-l-glutamic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O NGR 3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NGS 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose +CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGT 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGU u-58872, hydroxy derivative of nogalamycin +CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC NGV methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate +C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGW (2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O NGY 2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O NGZ 2-acetamido-2-deoxy-alpha-l-glucopyranose +[NH] NH amino substitution group +Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O NH1 3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one +[NH2] NH2 amino group +N NH3 ammonia +[NH4+] NH4 ammonium ion +c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl NH5 n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4 NH6 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O NH7 2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide +Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O NH8 3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O NH9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3 NHB n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide +C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O NHC (1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N NHD nicotinamide purin-6-ol-dinucleotide +C1CCC(CC1)NCCS(=O)(=O)O NHE 2-[n-cyclohexylamino]ethane sulfonic acid +C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O NHF 1,5-anhydro-d-fructose +C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O NHG bis-noreseroline +C1CC(=NN=C(N)N)CCC1=NN=C(N)N NHH n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide +c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O NHI 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid +c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F NHJ 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide +COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO NHK n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O NHL (4s)-4-(2-naphthylmethyl)-d-glutamic acid +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHM s-(2-oxo)pentadecylcoa +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5 NHN (6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide +c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NHO nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline +c1ccc(c(c1)N)SCCCCP(=O)(O)O NHP 4-(2-aminophenylthio)-butylphosphonic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O NHQ (3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHR 2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHS 10-formyl-5,8,10-trideazafolic acid +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NHT (3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N NHU 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O NHV (5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHW 2-oxopentadecyl-coa +C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO NHX n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide +C(=O)(N)NO NHY n-hydroxyurea +[Ni+2] NI nickel (ii) ion +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C NI0 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +[OH2][Ni+2] NI1 nickel ion, 1 water coordinated +[OH2][Ni+2][OH2] NI2 nickel (ii) ion, 2 waters coordinated +[OH2][Ni+2]([OH2])[OH2] NI3 nickel (ii) ion, 3 waters coordinated +CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C NI5 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O NI7 (4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO NI8 (4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F NI9 3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] NIA ((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate +C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O NIC nitroisocitric acid +c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O NID 4-nitro-inden-1-one +CC[N+](=O)[O-] NIE nitroethane +CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 NIF 2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O NIG n-(iminomethyl)-l-glutamic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO NIH 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide +CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO NII 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2] NIK pentaaquanickel +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F NIL nilotinib +CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] NIM 4-nitro-2-phenoxymethanesulfonanilide +c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] NIN dinitrophenylene +c1cc(cnc1)C(=O)O NIO nicotinic acid +c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-] NIP 4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N NIQ 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O NIR 3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium +CC(C)[N+](=O)[O-] NIS 2-nitropropane +c1cc(ccc1N)[N+](=O)[O-] NIT 4-nitroaniline +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O NIU 6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NIV nevirapine +Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC NIW 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O NIX nalidixic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O NIY meta-nitro-tyrosine +c1cnccc1C(=O)NN NIZ pyridine-4-carbohydrazide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJ1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5 NJ2 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide +C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJ4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O NJ5 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJ7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N NJ8 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJB ~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5 NJD n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl NJH ~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6 NJK ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO NJM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJN ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NJP 5-hydroxy-nicotinamide-adenine-dinucleotide phosphate +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O NJQ 3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid +C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O NJS itaconyl coenzyme a +CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl NJT 9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F NJV 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide +c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N NJW 5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid +Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O NJX 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NJY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N NJZ [3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate +c1ccc(c(c1)C=O)O NK salicylaldehyde +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5 NK0 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide +C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O NK1 (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol +C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O NK2 (1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol +CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C NK4 (5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine +c1ccc(cc1)n2cc(nn2)C(=O)NO NK5 ~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK7 4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N NK8 4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK9 4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NKA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +c1c2c(c(c(c1Br)Br)Br)[nH]nn2 NKB 5,6,7-tris(bromanyl)-1~{h}-benzotriazole +C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N NKD (2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid +c1cc(c2c(c1Br)[nH]nn2)Br NKE 4,7-bis(bromanyl)-1~{h}-benzotriazole +c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O NKG n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine +COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3 NKH n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide +c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl NKI (2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one +C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4 NKJ (19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1 NKK n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide +CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O NKM (2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKN (2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKO (2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKP (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate +CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKQ (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate +CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O NKR (2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate +Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O NKS n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine +c1cc(c(c2c1nn[nH]2)Br)Br NKT 6,7-bis(bromanyl)-1~{h}-benzotriazole +CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O NKV n-(2-methylpropanoyl)adenosine +c1cc2c(cc1Br)[nH]nn2 NKW 6-bromanyl-1~{h}-benzotriazole +CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] NKX (2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate +CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N NKY 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide +c1cc2c(c(c1)Br)[nH]nn2 NKZ 7-bromanyl-1~{h}-benzotriazole +c1c(cc(c2c1nn[nH]2)Br)Br NL2 5,7-bis(bromanyl)-1~{h}-benzotriazole +c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O NL3 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid +Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C NL4 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide +CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2 NL5 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole +COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NL7 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O NL8 ~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide +B(c1cnn(c1)c2cccc(c2)Cl)(O)O NL9 [1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid +c1ccc2c(c1)cccc2CC(=O)O NLA naphthalen-1-yl-acetic acid +c1ccc(cc1)COCCCC[C@@H](C(=O)O)N NLB 6-(benzyloxy)-l-norleucine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O NLC 2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose +CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C NLD nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate +CCCC[C@@H](C(=O)O)N NLE norleucine +CC(=O)N[C@@H](CCC(=O)O)C(=O)O NLG n-acetyl-l-glutamate +CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O NLH (2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid +[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C NLI n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide +COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLJ 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O NLK (2r,5s)-5-amino-2-butyl-4-oxononanoic acid +c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl NLM 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@@H](C(=O)N)N NLN norleucine amide +CCCC[C@@H](C(=O)OC)N NLO o-methyl-l-norleucine +CCCC[C@H](N)P(=O)(O)O NLP (1-amino-pentyl)-phosphonic acid +CC(=O)N[C@@H](CCC(=O)N)C(=O)O NLQ n~2~-acetyl-l-glutamine +c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLS 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O NLT n-dodecanoyl-l-tyrosine +c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLV 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CC(C)C[C@@H](C(=O)N)N NLW l-leucinamide +C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C NLX (5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium +C(CCNCC(=O)O)CN NLY n-(4-aminobutyl)glycine +c1cc(c(cc1O)O)C(=O)N NLZ 2,4-bis(oxidanyl)benzamide +CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NM1 3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide +C[N+](C)(C)CCCC(=O)O NM2 3-carboxy-n,n,n-trimethylpropan-1-aminium +CC[N+](C)(C)CCCC(=O)O NM3 ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium +COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC NM4 (3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C NM6 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F NM7 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide +CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F NM8 6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C NM9 methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O NMA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine +c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NMB 2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol +C1CC1CNCC(=O)O NMC n-cyclopropylmethyl glycine +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O NMD n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN NME methylamine +CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF NMF 6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione +[H]/N=C(/N)\NCC(=O)O NMG guanidino acetate +CCCCC[C@@H](C)NC=O NMH (r)-n-(1-methyl-hexyl)-formamide +Cn1cc(c2c1cccc2)CCC(=O)O NMI 3-(1-methyl-1h-indol-3-yl)propanoic acid +c1c(nc(cn1)Cl)C(=O)O NMJ 6-chloropyrazine-2-carboxylic acid +CN[C@@H](CCCC[NH3+])C(=O)O NMK n-methyl lysine +CC(=O)NC NML n-methylacetamide +[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N NMM (2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N NMN beta-nicotinamide ribose monophosphate +[N]=O NMO nitrogen monoxide +C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N NMP 2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F NMQ n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +B(=O)(c1cc(cc(c1)Cl)Cl)O NMR [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC NMS 1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O NMT 1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CNC(=O)N NMU n-methylurea +COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NMW [2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O NMX nitromethyldethia coenzyme a +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N NMY neomycin +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N NMZ (2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F NN1 2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide +c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O NN2 1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C NN3 3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC NN4 (1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide +Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5 NN5 [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone +Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C NN7 n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NN8 [2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NNA (1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br NNB o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl NNC o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate +CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NND (2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC NNE n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} +CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F NNF 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one +C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O NNG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose +[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO NNH nor-n-omega-hydroxy-l-arginine +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I NNI o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate +C[n+]1cccc(c1)CN NNJ 3-(aminomethyl)-1-methylpyridinium +C[n+]1ccc(cc1)CN NNK 4-(aminomethyl)-1-methylpyridinium +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl NNL n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine +C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O NNM (3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate +CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C NNN (2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol +c1cc([n+](cc1C(=O)O)[O-])O NNO 6-hydroxyisonicotinic acid n-oxide +CCCCCCCCCC1=CC(=O)c2ccccc2N1 NNQ 2-nonylquinolin-4(1h)-one +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N NNR nicotinamide riboside +CC(=O)Nc1ccc(cc1)O NNS 4-acetyl-aminophenol +C[n+]1ccc(c(c1)CN)Cl NNT 3-(aminomethyl)-4-chloro-1-methylpyridinium +c1cncc(c1Cl)CN NNU 1-(4-chloropyridin-3-yl)methanamine +C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O NNV (1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid +c1cnccc1CN NNW 1-(pyridin-4-yl)methanamine +C[n+]1ccc(cc1CN)Cl NNX 2-(aminomethyl)-4-chloro-1-methylpyridinium +c1cnc(cc1Cl)CN NNY 1-(4-chloropyridin-2-yl)methanamine +C[n+]1ccccc1CN NNZ 2-(aminomethyl)-1-methylpyridinium +[N]=O NO nitric oxide +Cc1c2c(cccc2[nH]c1C(=O)O)CO NO1 4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid +N(=O)[O-] NO2 nitrite ion +[N+](=O)([O-])[O-] NO3 nitrate ion +c1ccc(cc1)CNCCC2=CCCCC2 NO4 n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine +CC(C)[C@@H](C(=O)O)NS(=O)(=O)N NO5 (2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid +C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O NO7 9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine +C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C NO8 (2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide +Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O NO9 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid +c1ccc2c(c1)cccc2OCC(=O)O NOA naphthyloxyacetic acid +[Li]OB(O)OB(O)O NOB (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium +c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N NOC 3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol +C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O NOD n-ethylhydroxy-doxorubicin +CCN=O NOE nitrosoethane +CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NOG 13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O NOH 2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate) +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O NOJ 1-deoxynojirimycin +CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO NOK 2-acetamido-1,2-dideoxynojirmycin +C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C NOL n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide +C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O NOM 7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione +CCCCCCCCC(=O)OC NON methyl nonanoate (ester) +CCCCCCCC(=O)NC1=CC(=O)CCC1 NOO n-(3-oxocyclohex-1-en-1-yl)octanamide +Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O NOP pyridoxal-5'-phosphate-n-oxide +COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN NOQ (1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O NOR cyclohexyl-norstatine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O NOS inosine +C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N NOT 6-azido-l-norleucine +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O NOV novobiocin +[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C NOW nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide +c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O NOX n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide +C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO NOY (2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO NOZ (2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O NP 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid +CCCNO NP0 n-hydroxypropan-1-amine +Cc1ccc(c(c1)[N+](=O)[O-])NCCCN NP1 n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine +c1ccc(c(c1)NCCCN)[N+](=O)[O-] NP2 n-(3-aminopropyl)-2-nitrobenzenamine +c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O NP3 1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O NP4 (5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O NP5 (5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O NP6 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-] NP7 2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC NP8 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O NPA 2-(4-hydroxy-3-nitrophenyl)acetic acid +B(c1cccc(c1)[N+](=O)[O-])(O)O NPB 3-nitrophenylboronic acid +c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O NPC 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +C[C@@H](Cc1cccc2c1cccc2)C=O NPD 2-methyl-3-naphthalen-1-yl-propionaldehyde +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-] NPE 5-(para-nitrophenyl phosphonate)-pentanoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O NPF 2-nitrophenyl beta-d-fucopyranoside +c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O NPG n-succinyl phenylglycine +c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N NPH cysteine-methylene-carbamoyl-1,10-phenanthroline +C(CCC(=O)O)C[C@@H](C(=O)O)N NPI (2s)-2-aminoheptanedioic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O NPJ 4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside +C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O NPK 5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O NPL n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate +c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4 NPM n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine +CCC[N+]#[C-] NPN n-propyl isocyanide +c1cc(ccc1[N+](=O)[O-])O NPO p-nitrophenol +CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C NPP n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine +CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O NPQ n-acetyl naphthylalanine +C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O NPR 2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPS (2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid +CC(C)(C)CN NPT neopentylamine +C[C@H]([C@@H](c1ccccc1)O)N NPU (1r,2r)-2-amino-1-phenylpropan-1-ol +c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O NPV 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N NPW beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPX (2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid +c1ccc2ccccc2c1 NPY naphthalene +Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N NPZ 1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)C(=O)C=C(C2=O)O NQ 2-hydroxynaphthoquinone +c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F NQ1 10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O NQ2 ~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide +C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N NQ4 [[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3 NQ5 2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N NQ7 (5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one +C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C NQ8 (5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5 NQB n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide +Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O NQD (2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid +CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N NQE 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O NQG 5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide +c1cnc(c(c1NCC2CC2)C#N)Cl NQH 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O NQI n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide +Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC NQJ methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate +CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl NQK 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O NQM (1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid +C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQN 2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C NQP 4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQQ 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1ccc2c(c1)C(=O)C=C(C2=O)SCCO NQS 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NQT 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C NQV 4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide +C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQW 5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C NQY 3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide +C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQZ 5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O NR1 (3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N NR2 n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR3 (1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR4 (1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NR5 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl NR7 methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NR8 2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4 NR9 (5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O NRA norathyriol +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C NRB narbomycin +C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN NRD (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid +C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br NRE [(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone +CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl NRF norflurazon +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-] NRG n-omega-nitro-l-arginine +c1ccc2c(c1)c3ccncc3[nH]2 NRH norharmane +C1[C@@H]([C@H](CN1)O)COP(=O)(O)O NRI phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl NRJ methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F NRK (1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide +Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4 NRM n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N NRN (1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol +CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-] NRO 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid +[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O NRP {4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O NRQ {(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4 NRS n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3 NRT 6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine +[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3] NRU ruthenium (iii) hexaamine ion +CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1 NRV n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine +Cc1cc(on1)C(=O)N(C)Cc2cccnc2 NRW n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide +c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F NRY 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C NRZ (2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C NS0 all-trans-1,2-dihydroneurosporene +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS1 15-trans-1,2-dihydroneurosporene +Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl NS2 [(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4 NS3 (3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-] NS4 n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS5 15-cis-1,2-dihydroneurosporene +CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4 NS6 (3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4 NS7 (3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +c1ccc(cc1)/C=C/[N+](=O)[O-] NS8 trans beta nitrostyrene +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O NS9 (2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol +c1ccc(cc1)NC(=O)C(Cl)Cl NSA 2,2-dichloro-n-phenyl-acetamide +C[N+](C)(C)CCCS(=O)(=O)O NSB n,n,n-trimethyl-3-sulfopropan-1-aminium +Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N NSC n,n'-bis(4-amino-2-methylquinolin-6-yl)urea +C(CN)CNCCCN NSD n-(3-aminopropyl)propane-1,3-diamine +c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile +C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O NSG (2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F NSI 3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide +c1cc(cc(c1)O)CN2CCSCC2 NSJ 3-[(thiomorpholin-4-yl)methyl]phenol +C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O NSK n-succinyl lysine +c1ccc(cc1)/N=N/c2ccc(cc2)O NSL 4-hydroxyazobenzene +CN=O NSM nitrosomethane +CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N NSN n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate +Cc1ncc(c(n1)N)CN NSP 5-(aminomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O NSQ 4-nitrophenyl alpha-d-6-sulfoquinovoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N NSS 5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine +c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O NST 3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc(s1)CN2CCNCC2 NSV 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSX n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSY n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4 NSZ n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N NT netropsin +COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC NT1 heparin heptasaccharide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O NT2 2,3,4,6-tetra-o-sulfohexopyranose +[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N NT4 n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide +Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4 NT5 [(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone +Cc1cccc(c1C)NC(=O)CN2CCOCC2 NT7 n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide +CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O NT8 (1-azanyl-1-phosphono-decyl)phosphonic acid +C(C(=O)O)N(CC(=O)O)CC(=O)O NTA nitrilotriacetic acid +CC(C)(C)N NTB tertiary-butylamine +C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O NTC 2-hydroxy-2-nitromethyl succinic acid +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O NTD 2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O NTE [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O NTF n-(trifluoroacetyl)-beta-d-glucopyranosylamine +c1cc(ncc1N2CCCOCC2)C#N NTG 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34 NTH succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester +CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] NTI 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate +CCO[P@H](=O)N(C)C NTJ r-ethyl n,n-dimethylphosphonamidate +CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC NTK 2,3-di(butanoyloxy)propyl butanoate +CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N NTL n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(nc1)C(=O)O)C(=O)O NTM quinolinic acid +c1cnccc1C(=N)N NTN isonicotinamidine +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O NTO trisulfoamino heparin pentasaccharide +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O NTP heparin pentasaccharide +Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F NTQ (1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide +c1cc(c(cc1[C@H](C(=O)O)N)O)O NTR meta-hydroxy beta nor-tyrosine +c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] NTS naphthalene trisulfonate +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NTT [(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N NTU n1,n14-bis((s-methyl)isothioureido)tetradecane +Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2 NTV (2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide +Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N NTW 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile +[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N NTX n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide +c1cc(ccc1[C@H](C(=O)O)N)O NTY beta nor-tyrosine +C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O NTZ nojirimycine tetrazole +CC1=Nc2c(cccc2O)C(=O)N1 NU1 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one +CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4 NU2 (3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione +c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N NU3 2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide +Cc1c(cco1)C(=O)Nc2ccncc2 NU4 2-methyl-n-(pyridin-4-yl)furan-3-carboxamide +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO NU5 3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol +c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N NU6 3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide +CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5 NU7 n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NU8 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F NU9 n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +CCn1cc(cn1)NC(=O)C2CCC2 NUA n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide +CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 NUB 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one +Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUD 4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUE 4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F NUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii) +C1CN(CCC1O)CC2=CCSC2 NUG 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol +CN1C=C(C=CC1=O)c2cccc(c2)OC NUH 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one +Cc1cc(nc(n1)C)N(C)C2CC(C2)O NUJ trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol +c1csc2c1sc(c2)C(=O)O NUK thieno[3,2-b]thiophene-5-carboxylic acid +c1ccnc(c1)C(=O)NCCc2ccc(cc2)O NUM n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N NUP 6-aminouridine 5'-monophosphate +CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F NUQ 5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC NUT 4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC NUW 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide +CC(C)N1CCN(CC1)C(=O)c2cccs2 NUY [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone +Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] NUZ [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone +Cc1cccc(c1N(C(C)C)C(=O)CN)C NV1 2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide +CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4 NV2 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4 NV4 (5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5 NV5 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide +CS(=O)(=O)N1CCN(CC1)Cc2ccco2 NV7 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine +c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4 NV8 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole +CCC[C@@H](C(=O)O)N NVA norvaline +CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC NVB n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide +CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2 NVC n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide +CN(C)c1ccc(cc1)CNn2cnnc2 NVD n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C NVE diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate +c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O NVG 4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one +CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NVH 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +C=C[n+]1cc[nH]c1 NVI 1-vinylimidazole +CCOC(=O)NCc1ccccc1 NVJ ethyl benzylcarbamate +Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 NVK 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea +C[C@H]1CCN(C=CC1)C(=O)c2cscn2 NVM [(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C NVN 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NVP 11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one +CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3 NVQ ~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O NVS 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one +c1ccc2c(c1)c(no2)CC(=O)O NVU 2-(1,2-benzoxazol-3-yl)ethanoic acid +c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVV 7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O NVW n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide +c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVX 7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CCN1CCC(CC1)Nc2ccccc2F NVY 1-ethyl-n-(2-fluorophenyl)piperidin-4-amine +CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O NVZ 5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O NW1 6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine +CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O NW2 2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid +C1CCC(CC1)CCC(=O)N2CCOCC2 NW4 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one +CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O NW5 2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid +CCc1c(c(on1)C)C(=O)Nc2cc(on2)C NW7 3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide +c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl NW8 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine +CC(CCC[N+](C)(C)C)(O)O NWA 4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium +CC(=O)CCC[N+](C)(C)C NWB n,n,n-trimethyl-4-oxopentan-1-aminium +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-] NWD 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 NWE 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid +C(CC(=O)C(=O)O)CN=C(N)N NWG 5-[(diaminomethylidene)amino]-2-oxopentanoic acid +CCCCC[C@H](C)NC=O NWH n-[(2s)-heptan-2-yl]formamide +c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O NWJ 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl NWK 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid +CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N NWL 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione +CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O NWM (3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate +[H-]([Fe](CO)(C#N)C#N)[Ni+2] NWN hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron +C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C NWP (2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NWQ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N NWS moco-amp +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C NWT n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide +Cn1cc(cn1)CNC(=O)c2ccco2 NWV n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N NWW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide +Cc1ccc(cn1)CNC(=O)C2CCC2 NWY n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N NWZ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide +c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl NX1 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl NX2 3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide +c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N NX3 n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide +COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl NX4 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid +c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl NX5 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid +c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O NX6 n-[(benzyloxy)carbonyl]-l-aspartic acid +c1cc(c(c(c1)F)C(=O)N2CCCC2)F NX7 (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N NX8 (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)O NXA n-carboxyalanine +c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N NXB (2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol +CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-] NXC (2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+) +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O NXD methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC(=O)Nc1cc(no1)C(F)(F)F NXE ~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO NXG 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol +CC(C)NC(=O)Nc1ccncc1 NXH 1-propan-2-yl-3-pyridin-4-yl-urea +CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C NXJ (1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide +B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O NXK 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N NXL (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +C1CC1c2nc(on2)CC3CCNCC3 NXM 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine +c1cc(c(cc1Cl)Cl)OCC(=O)NCCS NXN 2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide +C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3 NXP n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide +C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O NXQ 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid +c1cnc(nc1)N2CCC(CC2)CO NXS [1-(pyrimidin-2-yl)piperidin-4-yl]methanol +c1c(c2c(o1)CCCC2)C(=O)O NXT 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C NXU (2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl NXV 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid +CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O NXW 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O NXX 1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium +c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl NXY 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N NXZ 1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one +Cc1nc(cs1)CC(=O)N2CCOCC2 NY1 2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one +c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-] NY2 3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4 NY3 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate +C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N NY4 n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide +c1cc2c(cc1C(=O)O)CCCC2 NY5 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O NY6 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1ccc(c(c1)NC(=O)CN)OC NY7 n-(2-methoxy-5-methylphenyl)glycinamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC NY8 ~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3 NY9 n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea +C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C NYA (1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](C)SC[C@@H](C(=O)O)NC NYB n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O NYC [(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc2cc(c(cc2c1)C(=O)O)N NYE 3-azanylnaphthalene-2-carboxylic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O NYG [(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1CCC(=CC1)[N+](=O)[O-] NYH 1-nitrocyclohexene +Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C NYJ 4,5-dimethyl-3-phenylisoquinolin-1(2h)-one +c1ccc2c(c1)[C@@H](C(=O)N2)CC#N NYK [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile +C=CCNc1ccccc1 NYL n-allyl-aniline +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N NYM 3'-deoxy-3'-aminothymidine monophosphate +C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4 NYN chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O NYO (5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione +C/[N+](=C\C=C)/CC1CCC=CC1 NYP n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium +c1cc2c(cc1Br)CC(=O)N2 NYQ 5-bromanyl-1,3-dihydroindol-2-one +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O NYS s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O NYT beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)n1cc(nc1)S(=O)(=O)N NYV 1-(propan-2-yl)-1h-imidazole-4-sulfonamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N NYW [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N NYZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +COc1ccc2c(c1)nc(s2)N NZ1 5-methoxy-1,3-benzothiazol-2-amine +C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ2 n-(methylsulfonyl)-n-phenyl-l-alanine +C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ3 n-(methylsulfonyl)-n-phenyl-d-alanine +CC(=O)c1cccc(c1)NC(=O)N2CCOCC2 NZ4 n-(3-acetylphenyl)morpholine-4-carboxamide +CC[C@H](CO)O NZ5 (2~{r})-butane-1,2-diol +CN(C)C(=O)N1CCOC[C@]12CCOC2 NZ7 (5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide +c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl NZ8 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea +c1csc(c1S(=O)(=O)NC2CC2)C(=O)O NZ9 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid +c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl NZA 5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F NZB [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +C[C@H]([C@@H](C(=O)O)NC)O NZC n-methylidene-l-threonine +CN1CCN(CC1)C(=O)Nc2ccccc2 NZD 4-methyl-n-phenylpiperazine-1-carboxamide +CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F NZE [(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F NZF (3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +CC(=O)Nc1cc(ccc1F)C(=O)O NZG 3-(acetylamino)-4-fluorobenzoic acid +c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N NZH (2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal +c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O NZI [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N NZJ 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN NZL 5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O NZM cefixime, bound form +CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 NZN n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 NZO nocodazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N NZQ 5,6-dihydroxy-nadp +Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC NZS 6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5 NZT n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide +Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C NZU 6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O NZV ceftriaxone, bound form +C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 NZW ~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O NZY n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name) +CC(=CCC/C(=C\CO)/C)C NZZ (2z)-3,7-dimethylocta-2,6-dien-1-ol +O O oxygen atom +Cc1c(sc(n1)C)c2cc([nH]n2)CN O01 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N O02 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N O04 (e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N O05 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O O08 ~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide +[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N O09 (e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid +Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C O0A 3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide +C[C@@H](CC(F)(F)F)[C@@H](C=O)N O0B (2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl O0D (2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid +C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N O0E (2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide +C[C@@H](CO)Nc1c(cc(cn1)Cl)F O0G (2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol +CC(=O)Nc1ccc(cc1)c2csc(n2)N O0J n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide +CC(C)c1ccc(cc1)CN2CCC(CC2)O O0M 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol +CN(Cc1cccc(c1)F)S(=O)(=O)N O0P n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide +c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36 O0Q ~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide +CC(=O)Nc1ccc(cc1)Oc2ncccn2 O0S n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide +C[C@@H](CO)N(C)c1c(cccn1)F O0V (2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol +Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C O0W 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one +CCN(CC)c1cccc(c1)O O0Y 3-(diethylamino)phenol +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4 O0Z (2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide +CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O O11 (2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol +CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N O12 n~5~-dodecanoyl-l-ornithine +[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N O13 (e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N O14 (e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N O15 (e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid +c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5 O16 3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium +COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N O17 (2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N O18 [(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5 O19 (2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide +CC(=O)Nc1ccc(cc1)N2CCN(CC2)C O1A n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide +C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N O1B (2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C O1C 2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3 +c1ccc(cc1)COc2cccc(c2)N O1D 3-(benzyloxy)aniline +CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3 O1E 5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O O1G 3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco pyranose +c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N O1H 4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)COCC(=O)O O1J (benzyloxy)acetic acid +c1cc(ccc1N2CCN(CC2)C(=O)N)F O1M 4-(4-fluorophenyl)piperazine-1-carboxamide +CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl O1N dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii) +Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5 O1Q 4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4 O1S 6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl O1T [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5 O1V 2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C O1W 6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl O1Y n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N O1Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +O=O O2 oxygen molecule +CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl O21 n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide +CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N O22 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide +c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5 O23 n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide +CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N O25 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC O26 2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1 O27 n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1 O28 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2 O29 n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CNC(=O)c1cccc2c1[nH]cc2 O2A n-methyl-1h-indole-7-carboxamide +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C O2B 3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O O2C 3'-deoxy-cytidine-5'-monophosphate +c1nncn1NC(=O)CC2CCCCC2 O2D 2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide +C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N O2E (2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 O2G 2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine +CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O2H ~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +COC[C@H]1CN(CCO1)c2ccccn2 O2J (2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine +CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C O2K ~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide +Cc1csc(n1)CNC(=O)c2ccn[nH]2 O2M n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide +COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5 O2N 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1ccc(c(c1)O)NC(=O)c2ccccc2C O2P n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide +Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F O2Q ~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H](CC(C)C)C(=O)O)S O2S (2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-] O2T [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@H]([C@@H](CC(C)C)C(=O)O)S O2V (2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid +COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N O2W methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate +c1cc(c(nc1)C(=O)O)SCC(=O)O O2Y 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN O2Z [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1 O30 n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C O31 (3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide +Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5 O32 (4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C O33 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O O34 yersiniabactin +Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C O35 ~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F O37 n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide +Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N O38 6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile +CN(c1ccccc1)C(=O)[C@H]2CCNC2 O3A (3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide +B(c1ccc(cc1)S(=O)(=O)N)(O)O O3B (4-sulfamoylphenyl)boronic acid +c1cc(oc1)CN2CCS(=O)(=O)CC2 O3D 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione +CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O3E ~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +c1ccc(cc1)CNCc2ccc(cc2)F O3G n-benzyl-1-(4-fluorophenyl)methanamine +c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4 O3H 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one +CC(=O)N1CCN(CC1)CCCc2ccccc2 O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one +c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O O3M 4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol +C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O O3N (2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C O3P n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide +CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN O3S n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C O3V 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +CN(CCS)C(=O)c1ccccc1 O3W ~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C O3Y 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O O3Z (2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O O40 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid +CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 O41 5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N O42 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6 O43 4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide +C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5 O44 4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride +CC(=C)CONC(=O)C(=O)O O45 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid +[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC O47 3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide +CCCCCCCCCCOS(=O)(=O)N O48 decyl sulfamate +Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2 O4A n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide +C1COCCOCCOCCOCCOCCO1 O4B 1,4,7,10,13,16-hexaoxacyclooctadecane +Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C O4D 2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide +CN(CCS)C(=O)c1cccc(c1)Br O4E 3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4 O4G n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide +[OH2][Mn+2]([OH2])([OH2])[OH2] O4M manganese tetrahydrate ion +CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 O4N 5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC O4P n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide +C/C(=C\Cl)/CC=O O4Q (~{e})-4-chloranyl-3-methyl-but-3-enal +CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5 O4S n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide +C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C O4T ~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide +CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N O4V 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine +CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C O4W 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one +C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O O4Y (2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid +c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O4Z 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl O51 (3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide +CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 O53 (2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one +CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C O54 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea +c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N O55 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F O57 10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl O58 {4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid +C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N O59 octane-1,8-diyl disulfamate +c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F O5A trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O O5B trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC O5D [3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone +c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3 O5E (2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC O5G {(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N O5H 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea +COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4 O5J 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione +c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O5K 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F O5M {(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F O5N 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4 O5P [(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone +CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C O5S 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br O5T 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN O5U (2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O O5W [(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4 O5Y 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N O5Z (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N O60 decane-1,10-diyl disulfamate +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5 O61 n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O O62 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid +CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F O64 2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide +Cc1c(cc(cc1CO)C(=O)O)CO O65 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br O67 n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide +CN(CCS)C(=O)c1ccc(cc1)F O68 4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4 O6A n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide +Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C O6D (2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C O6E 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6G n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide +Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C O6H 2,4,6-trimethyl-l-phenylalanine +CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6J n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O O6K ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N O6M 3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O O6P doripenem +c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O O6S (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O6T biotc4-1 cofactor +C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4 O6V (1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate +c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F O6W 4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3 O6Y 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile +CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2 O6Z ~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O O71 (4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid +c1cc2ccnc(c2nc1)N O72 1,7-naphthyridin-8-amine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-] O73 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione +c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl O74 6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one +CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3 O75 n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N O77 n-[(3s)-3-amino-3-carboxypropyl]-l-histidine +[H]/N=C\1/CCCC(=C1)C(=O)O O78 (3z)-3-iminocyclohex-1-ene-1-carboxylic acid +C[C@@H]([C@@H](C(=O)O)NC)O O7A n-methyl-l-allothreonine +c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5 O7B (3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one +CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O O7D 4-methoxy-n-methyl-l-tryptophan +CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7E 6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate) +CC(C)[C@@H](C(=O)O)N(C)C O7G n,n-dimethyl-l-valine +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O O7J n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid +CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C O7K pyrazinoquinolinone +COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7M 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN O7N 1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C O7P 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O7Q biotc5-1 cofactor +C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O O7S (3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione +C1=C[P@](=O)(NC(=O)N1)N O7U (2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C O7V (2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O7Y (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 O7Z 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F O80 n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine +[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O O81 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CNCc1ccc2c(c1)c3ccccc3n2CCF O82 1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +CNCc1ccc2c(c1)c3ccccc3n2CC(F)F O83 1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O O84 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +CN(CCS)C(=O)c1cccc(c1)F O85 3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F O8A n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide +Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C O8B 2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide +C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O O8D (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-] O8G 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I O8H 4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C O8J (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C O8K (4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N O8M 2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCO O8N octacosan-1-ol +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C O8P (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N O8Q 5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C O8S (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N O8T 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O8V (2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8W 5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCCCC=O O8Y hexanal +CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8Z 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O O90 {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid +Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC O91 [2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N O92 3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide +Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F O95 {(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone +CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2 O96 n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4 O97 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide +CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O98 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C O9A 5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +CN1CCCC[C@@H]1C(=O)O O9B (2~{r})-1-methylpiperidine-2-carboxylic acid +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9D 5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide +CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC O9E ~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3 O9G 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide +CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C O9H [(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3 O9J 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide +CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC O9K [(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3 O9M 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide +COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N O9N methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C O9P 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide +Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O O9Q 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C O9S 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide +Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O O9T 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9V 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide +Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl O9W (~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3 O9Y 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F O9Z 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one +c1cc(cc(c1)Br)C(=O)c2cnc(o2)N OA1 (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone +c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N OA2 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide +CC1(Cc2c(c(ncn2)N)C(=O)C1)C OA3 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one +Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 OA4 5-methyl-6-phenylquinazoline-2,4-diamine +c1ccc(cc1)OCCOc2nc(nc(n2)N)N OA5 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine +c1cc(ncc1C(=O)O)O OA7 6-hydroxypyridine-3-carboxylic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O OA8 {[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid +C(C(=O)C(=O)O)C(=O)[O-] OAA oxaloacetate ion +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C OAB {[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid +CC(Cc1ccccc1O)C(=O)O OAC trans-o-hydroxy-alpha-methyl cinnamate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OAD 2'-o-acetyl adenosine-5-diphosphoribose +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C OAE (2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C(=O)(C(C(C(=O)O)(F)F)(O)O)O OAF 2,2-difluoro-3,3-dihydroxybutanedioic acid +c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl OAG 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N OAH 9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine +c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O OAI 6-(oxalyl-amino)-1h-indole-5-carboxylic acid +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O OAJ (3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OAK n-(phenylcarbonyl)-beta-d-glucopyranosylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O OAL (1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid +Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C OAM 4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OAN o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3 OAP 4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid +CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OAQ {(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +[H]/N=C(/N)\NCCC[C@@H](CO)N OAR n-(4-amino-5-hydroxy-pentyl)-guanidine +CC(=O)OC[C@@H](C(=O)O)N OAS o-acetylserine +CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N OAV 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide +Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C OAW 2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one +c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl OAX 4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide +c1ccc(c(c1)COC(=O)O)N=[N+]=[N-] OAZ (2-azidophenyl)methyl hydrogen carbonate +c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB1 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB2 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB3 (1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB4 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB5 (1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB6 (1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB7 (1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O OB8 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB9 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O OBA 2-(oxalyl-amino)-benzoic acid +c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OBB 3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F OBC 2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O OBD 4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-] OBE 3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +C([C@@H](C(=O)O)N)C(F)F OBF (2s)-2-amino-4,4-difluorobutanoic acid +c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N OBG 6-(benzyloxy)-9h-purin-2-amine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O OBH cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O OBI 1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N OBL 5-methoxybenzimidazolyl-norcobamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O OBM 4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O OBN ouabain +c1ccc(c(c1)c2ccccc2[S@@](=O)O)O OBP 2'-hydroxy-1,1'-biphenyl-2-sulfinic acid +CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3 OBQ (3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O OBS (z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O OBT (1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O OBV 12,18-didecarboxy-siroheme +c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O OBW 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4 OBY 5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide +c1ccc(cc1)CON OBZ o-benzylhydroxylamine +[OH2][Ca+2] OC1 calcium ion, 1 water coordinated +[OH2][Ca+2][OH2] OC2 calcium ion, 2 waters coordinated +[OH2][Ca+2]([OH2])[OH2] OC3 calcium ion, 3 waters coordinated +[OH2][Ca+2]([OH2])([OH2])[OH2] OC4 calcium ion, 4 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2] OC5 calcium ion, 5 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2] OC6 calcium ion, 6 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC7 calcium ion, 7 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC8 calcium ion, 8 waters coordinated +CCCCCCCCO OC9 octan-1-ol +CCCCCCCC(=O)O OCA octanoic acid (caprylic acid) +CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C OCB octanoylcarnitine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C OCC 2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3 +CCCCCCCCCCCCCCCCCC=O OCD octadecanal +C(CCCC(=O)O)CCC(=O)O OCE octanedioic acid +Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4 OCG 5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C=CC(=O)N2 OCH quinolin-2(1h)-one +c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N OCJ 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C OCK (3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +[OH2][Co+2] OCL cobalt ion, 1 water coordinated +[OH2][Co+2]([OH2])[OH2] OCM cobalt ion, 3 waters coordinated +[OH2][Co+2][OH2] OCN cobalt ion, 2 waters coordinated +[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2] OCO cobalt ion,6 waters coordinated +CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC OCP octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester +C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N OCQ (3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one +CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O OCR (5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid +C([C@@H](C(=O)O)N)S(=O)(=O)O OCS cysteinesulfonic acid +CCCCCCCC OCT n-octane +CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N OCV n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine +Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC OCW methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate +CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O OCX (5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid +C(CSC[C@@H](C(=O)O)N)O OCY hydroxyethylcysteine +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N OCZ (1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN OD1 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide +CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O OD2 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN OD4 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid +C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC OD8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol +C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O ODA 9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N ODB (10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CCCCC\C=C/C=C/CCCCCCCCC(=O)O ODD (10e,12z)-octadeca-10,12-dienoic acid +CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC ODE diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 ODG 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile +c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3 ODH n-(furan-2-ylmethyl)quinoxaline-6-carboxamide +C(CCCCO)CCCO ODI octane-1,8-diol +Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C ODJ n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide +c1ccnc(c1)c2cc([nH]n2)C(=O)O ODK 3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid +C[C@H](CCC=C(C)C)CCO ODM (3r)-3,7-dimethyloct-6-en-1-ol +C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O ODN (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one +C/C(=N\O)/c1ccc(cc1O)O ODO 4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N ODP 4-oxo-nicotinamide-adenine dinucleotide phosphate +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C ODQ (3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C ODR (1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol +CN1CCN(CC1)C(=O)O ODS 4-methylpiperazine-1-carboxylic acid +CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O ODT (11e,13e,15z)-octadeca-11,13,15-trienoic acid +C([C@H](O)P(=O)(O)O)N ODV [(1r)-2-amino-1-hydroxyethyl]phosphonic acid +C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O ODW (1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol +CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O ODY (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol +C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O ODZ 2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide +CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3 OE1 2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide +c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O OE2 psammaplin c +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5 OE4 n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 OE5 5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl OE7 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N OE8 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OEA 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N OEB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn] OEC oxygen evolving system +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O OED [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid +C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C OEE ~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br OEF 3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid +C(C(=O)O)OCC(=O)O OEG 2,2'-oxydiacetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl OEH [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O OEJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid +CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C OEK 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid +CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N OEL (6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-l-gulonic acid +CN[C@H](CC(=O)O)C(=O)O OEM n-methyl-d-aspartic acid +C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2 OEN biapenem imine hydrolysis product +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O OEP 3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O OEQ biapenem enamine hydrolysis product +O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36 OER sr-mn4-o5 cluster +CCCCCCCC[S@@](=O)CCO OES n-octyl-2-hydroxyethyl sulfoxide +C[CH2] OET ethyl group +Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl OEU n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide +CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO OEV (1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O OEW ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36 OEX ca-mn4-o5 cluster +O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3 OEY ca-mn4-o6 cluster +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4 OEZ ~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide +[OH2][Fe+2] OF1 ferrous ion, 1 water coordinated +O([Fe+3])[Fe+3] OF2 2 ferric ion, 1 bridging oxygen +[OH2][Fe+3] OF3 ferric ion, 1 water coordinated +c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OF4 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC OF5 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone +c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OF7 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid +CC(=O)c1cc(c2n1cccn2)c3ccccn3 OF8 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OFB 3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F OFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N OFD [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid +O=[Fe] OFE iron(ii) oxide +c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O OFF 2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F OFG 3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F OFH (4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide +CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O OFI n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N OFJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid +CC(=O)c1cc(c2n1cccn2)c3ccccc3 OFK 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F OFL o-trifluoromethylphenyl anthranilic acid +C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O OFM [(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O OFN ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate +O[Fe]O[Fe] OFO hydroxy diiron-oxo moiety +C1C2CC3CC1CC(C2)C3(CO)N OFQ (2-azanyl-2-adamantyl)methanol +CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 OFT (3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide +C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N OFW (2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide +[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3 OFZ 1-(2-adamantylmethyl)-3-ethyl-guanidine +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N OG1 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid +[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2 OG2 1-(1-adamantyl)-3-ethyl-guanidine +c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OG4 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid +c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O OG5 (3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide +c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N OG7 2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid +[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2 OG8 1-(1-adamantylmethyl)guanidine +C(C(=O)O)NC(=O)C(=O)O OGA n-oxalylglycine +COC(=O)c1cccc2c1ccnc2 OGB methyl isoquinoline-5-carboxylate +c1cc(ncc1Br)NC(=O)NCCO OGE 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea +C(COCC(=O)N)OCC(=O)N OGG 2-(2-carbamoylmethoxy-ethoxy)-acetamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N OGH 4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O OGJ (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol +CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O OGK (1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid +COC(=O)NCCCCc1[nH]c(cn1)CO OGM methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OGN [(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O OGQ [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O OGS 4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside +CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O OGT 2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O OGX 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine +c1ccc(cc1)CCCc2[nH]cc(n2)CO OGY [2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol +c1cc(cc(c1)C(F)(F)F)CN OGZ [3-(trifluoromethyl)phenyl]methanamine +[OH-] OH hydroxide ion +c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO OH1 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide +CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2 OH4 {2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol +C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O OH5 (2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid +CC(=O)NCCCCc1[nH]cc(n1)CO OH7 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide +CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC OH8 ~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide +CCCCCCC(=O)CCCCCCCCC(=O)O OHA 10-oxohexadecanoic acid +c1ccc(c(c1)C(=O)N)O OHB salicylamide +C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N OHD {(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCO OHE hydroxyethyl group +Cc1[nH]cc(n1)CO OHG (2-methyl-1h-imidazol-4-yl)methanol +CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O OHH 2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid +C1=NC(=O)N=C1C[C@@H](C(=O)O)N OHI 3-(2-oxo-2h-imidazol-4-yl)-l-alanine +CCCCc1[nH]cc(n1)CO OHJ (2-butyl-1h-imidazol-4-yl)methanol +CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4 OHK ~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide +COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO OHL n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O OHM 3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O OHN n-3-oxo-dodecanoyl-l-homoserine lactone +C1CCC(CC1)NC(=O)O OHO cyclohexane aminocarboxylic acid +c1ccc(c(c1)CC(=O)O)O OHP (2-hydroxyphenyl)acetic acid +C([C@H](C(=O)O)N)C(=O)OSC(=O)O OHS o-(carboxysulfanyl)-4-oxo-l-homoserine +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 OHT 4-hydroxytamoxifen +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O OHU 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate) +c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO OHV benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F OHW 4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine +N[Os](N)(N)(N)(N)N OHX osmium (iii) hexammine +CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C OHY 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one +c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F OHZ 1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea +CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-] OI1 3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O OI7 1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose +c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O OIA [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid +C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O OIC octahydroindole-2-carboxylic acid +c1cn(cn1)CCCCCCCCCC(=O)O OID 10-(1h-imidazol-1-yl)decanoic acid +CC[C@H](C)[C@@H](C(=O)O)O OIL (2s,3s)-2-hydroxy-3-methylpentanoic acid +CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N OIM [(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 OIN (1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate +c1cn(cn1)CCCCCCCC(=O)O OIO 8-(1h-imidazol-1-yl)octanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O OIP 2'-deoxy-inosinic acid +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S OIR n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine +Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O OIS (s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl OJ1 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one +c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F OJ2 1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea +c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N OJ4 4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide +c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 OJ5 4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine +Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl OJ7 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole +c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O OJ8 (s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol +CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F OJA 1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate +CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C OJB 5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide +c1ccc(cc1)CC[C@@H]2CC(=O)NC2 OJD (4r)-4-(2-phenylethyl)pyrrolidin-2-one +c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO OJG n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide +C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4 OJH ~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 OJJ methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +c1c(c(cc(c1O)Cl)O)CN OJK 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol +CCOC(=O)CCc1[nH]cc(n1)CO OJM ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate +C=CC(=O)NCCCCc1[nH]cc(n1)CO OJP n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O OJQ [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O OJT (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O OJW (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid +c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO OJY 5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline +c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O OK1 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O OK2 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O OK3 (4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C OK4 n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O OK5 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid +CC(=O)Nc1cccs1 OK7 n-(thiophen-2-yl)acetamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O OK8 (2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid +C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O OKA okadaic acid +COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O OKD n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid +COc1cccc(c1O)CO OKE 2-(hydroxymethyl)-6-methoxy-phenol +C(CC(=O)O[O-])C(=O)O OKG 4-peroxy-4-oxobutanoic acid +c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl OKH 2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl OKI (2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide +c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ (2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal +CCNc1nc(nc(n1)O)NC(C)C OKM 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O OKN 5'-methyl-2'-deoxycytidine-5'-phosphorothioate +C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C OKO n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide +B(CCCCCNCCCN)(O)O OKP {5-[(3-aminopropyl)amino]pentyl}boronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O OKQ 2'-o-methylcytidine-5'-phosphorothioate +C(CCCC(=O)NO)CCCN OKS 8-amino-n-hydroxyoctanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O OKT 2'-o-methyluridine-5'-phosphorothioate +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F OKV 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F OKY 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O OKZ 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide +c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O OL1 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N OL2 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1 OL3 n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2 OL4 n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1 OL5 n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OL7 methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate +c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3 OL8 ~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide +CCCCCCCC\C=C/CCCCCCCC(=O)O OLA oleic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O OLB (2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O OLC (2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br OLD 3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine +CC(C)C[C@@H](C(=O)O)O OLE 2-hydroxy-4-methyl-pentanoic acid +Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O OLF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)O OLI oleic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C OLJ (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O OLM olmesartan +CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O OLN (s)-2-acetamido-5-ureidopentanoic acid +Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO OLO olomoucine +CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO OLP 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine +COc1ccc(c(c1F)C(=O)N)F OLQ 2,6-difluoro-3-methoxybenzamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2 OLS n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine +C[C@H]([C@@H](C(=O)O)N)OC OLT o-methyl-l-threonine +c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3 OLU 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C OLV cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3 OLW 3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile +Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OLY methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate +C(COC[C@@H](C(=O)O)N)N OLZ o-(2-aminoethyl)-l-serine +COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4 OM1 (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium +CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3 OM2 (r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium +C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4 OM3 (r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium +COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl OM4 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene +CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C OM7 (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide +c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F OM8 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide +CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O OMA 10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid +[CH2][O] OMB oxymethylene bridging group +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O OMC o2'-methylycytidine-5'-monophosphate +c1cc(c(cc1O)CC(=O)O)O OMD 2-(3,6-dihydroxyphenyl)acetic acid +C[O] OME methoxy group +COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl OMF 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O OMG o2'-methylguanosine-5'-monophosphate +CO[P@](=O)(O)OC[C@@H](C(=O)O)N OMH o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine +CN1CC(=O)c2c1cccc2 OMI 1-methyl-1,2-dihydro-3h-indol-3-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O OMJ (3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F OMK (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl OMM 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid +Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F OMN 4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol +O[Mo+6](=O)O OMO mo(vi)(=o)(oh)2 cluster +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O OMP orotidine-5'-monophosphate +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OMR [(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C OMS 1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CS(=O)(=O)CC[C@@H](C(=O)O)N OMT s-dioxymethionine +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O OMU o2'-methyluridine 5'-monophosphate +CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C OMV 1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F OMW 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide +c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O OMX (betar)-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O OMY (betar)-3-chloro-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O OMZ (betar)-3-chloro-beta-hydroxy-d-tyrosine +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O ON0 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside +c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl ON1 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl ON2 n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide +Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC ON3 1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ON4 1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O ON5 (z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid +c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl ON6 (2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one +Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC ON7 {1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid +[H]/N=C(/N)\NOCC[C@@H](C=O)N ON8 1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine +CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC ON9 3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONA 3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) +c1ccc2c(c1)C=Cc3ccccc3N2 ONB 5h-dibenzo[b,f]azepine +Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5 ONC 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one +c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N OND 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O ONE 1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O ONG {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone +C(C[C@@H](C(=O)O)N)CNO ONH n~5~-hydroxy-l-ornithine +Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3 ONJ (1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O ONK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(=O)CC[C@@H](C(=O)O)N ONL 5-oxo-l-norleucine +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONM 3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate +c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N ONN 2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid +CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC ONO 2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F ONP o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +COc1ccc(cc1)C(=O)NCC(=O)N ONQ ~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide +c1cc(c(cc1Cl)c2ccno2)O ONR 4-chloro-2-isoxazol-5-yl-phenol +Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl ONS (2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid +C[C@@H](COCCOC)N ONT (2~{s})-1-(2-methoxyethoxy)propan-2-amine +c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O ONV 4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid +C[C@H](CO[C@H](C)COCCOC)N ONW (2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O ONX n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C ONY 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide +c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O ONZ 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid +Cc1ccc(cc1)NC(=O)O OO1 (4-methylphenyl)carbamic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO2 [(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OO4 methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO5 [(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4 OO7 n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea +c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O OO8 [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid +CCCCCC(=O)CC(=O)O OOA 3-oxooctanoic acid +c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O OOB 5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine +CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OOC octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4 OOD 2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N OOE 2',2'-difluoro-3',3'-cgamp +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl OOF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +C(CC(=O)C(=O)O)CC(=O)O OOG 2-oxoadipic acid +CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O OOH 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione +CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1 OOJ n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl OOK 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O OOM n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide +CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOO ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O OOP 1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOQ (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate +CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOS (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide +CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOU (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide +CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOV (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C OOW {[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid +c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5 OOY n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide +CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C OOZ (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN OP0 (2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O OP1 1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline +C(COCCOCCOCCOCCOCC(=O)O)O OP2 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid +CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F OP4 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC OP5 (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OP7 methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C OP8 (1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone +C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OPA 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 OPB 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione +CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC OPC (7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide +CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O OPD 9r,13r-12-oxophytodienoic acid +C(COP(=O)(O)O)N OPE phosphoric acid mono-(2-amino-ethyl) ester +CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O OPF (2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O OPG oxiranpseudoglucose +COC(=O)[C@H](Cc1ccccc1)O OPH 2-hydroxy-3-phenyl-propionic acid methyl ester +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O OPI pantothenyl-aminoethanol-11-pivalic acid +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OPJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N OPK (2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid +C[C@H]([C@H](C=O)O)C(O)O OPL (2r,3r)-2,4,4-trihydroxy-3-methylbutanal +CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O OPM pentyl alpha-d-mannopyranoside +c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O OPN {(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid +c1ccc(c(c1)[N+](=O)[O-])O OPO o-nitrophenol +C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O OPP 1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione +CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O OPQ ((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide) +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N OPR (5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid +C(CSC(=O)CC[S-])C=O OPS 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate +c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5 OPT s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide +C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPV ~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC OPW ~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide +C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O OPX (1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid +C1CCN(CC1)C(=O)[C@H](CCN)N OPY (3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine +C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPZ ~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O OQ1 (3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ2 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O OQ5 20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQ7 methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ8 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O OQB 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid +c1cc(c(cc1CN)Cl)c2ccoc2 OQC [3-chloranyl-4-(furan-3-yl)phenyl]methanamine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQD (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O OQE [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +CCNC(=O)CCC(=O)c1ccccc1 OQH ~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide +COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl OQJ n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide +Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F OQM 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide +CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N OQN 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N OQQ 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OQR {(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F OQS n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide +c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F OQT 2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F OQW 2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQY (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N OQZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C OR1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O OR4 [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O OR5 open form of ribofuranose-5'-phosphate +CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl OR7 2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C OR8 2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide +CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O OR9 (6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol +c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O ORA 7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid +Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F ORB n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide +Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C ORC (r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide +C(C[C@H](C(=O)O)N)CN ORD d-ornithine +c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F ORE 4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid +C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N ORG 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile +c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F ORH 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile +c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O ORI 4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid +CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F ORJ 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O ORK (2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid +CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl ORM 2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide +C(C[C@@H](C(=O)O)N)CN ORN l-ornithine +C1=C(NC(=O)NC1=O)C(=O)O ORO orotic acid +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O ORP 2-deoxy-5-phosphono-ribose +CC(=O)NCCC[C@@H](C(=O)O)N ORQ n~5~-acetyl-l-ornithine +CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C ORS dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium +C(CC(=O)NN)[C@@H](C=O)N ORT (4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC ORV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1 ORW 1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O ORX n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine +[Os+3] OS osmium ion +c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O OS1 ruthenium octasporine +C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS2 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS3 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +[Os+4] OS4 osmium 4+ ion +c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N OS5 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N OS6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N OS7 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC OS8 (4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide +c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O OSA 7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid +c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O OSB 2-succinylbenzoate +c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O OSC (2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N OSD 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine +C([C@@H](C(=O)O)N)OS(=O)(=O)O OSE o-sulfo-l-serine +CCCCCCCCOS(=O)(=O)[O-] OSF octyl sulfate +CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSG 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine +CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSJ 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine +C([C@H](C(=O)O)O)OS(=O)(=O)O OSL (2r)-2-hydroxy-3-(sulfooxy)propanoic acid +C(N)[S@@H]=O OSM 1-(oxidosulfanyl)methanamine +C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC OSN (4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one +c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N OSP sulthiame +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F OSQ (3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide +C(CCC(=O)O)C[C@@H](CCSCN)SSCCO OSS 6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid +CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC OST methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OSU n-octanoylsucrose +CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O OSV ruthenium octasporine 4 +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N OSW metala-carborane di-propyl-sulfonamide +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N OSY 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N OSZ 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C OT1 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O OT2 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N OT4 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl OT5 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone +c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F OT8 ~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine +C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OTA 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid +CC(C)(C)OC(=O)O OTB tertiary-butoxyformic acid +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O OTC oxytetracycline +C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O OTD 2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid +CCCCCCCCOCCOCCOCCOCCO OTE 2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol +c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F OTF (1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O OTG 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose +C[C@H]([C@@H](C(=O)O)NC)OC OTH n,o-dimethyl-l-threonine +COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl OTJ methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate +CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C OTK (3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl OTM (2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide +c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O OTN 2-nitrophenyl 1-thio-beta-d-galactopyranoside +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C OTP (2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate +c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-] OTQ (2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1cc(ccc1[C@H](CN)O)O OTR 4-(2r-amino-1-hydroxyethyl)phenol +c1cc(ccc1[C@@H](CN)O)O OTS 4-(2s-amino-1-hydroxyethyl)phenol +C/C=C/C=C/C=C/C(=O)O OTT (2e,4e,6e)-octa-2,4,6-trienoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O OTU 3-o-alpha-d-glucopyranosyl-d-fructose +Cc1cc(nc2c1cc(cc2)N)N OTW 4-methylquinoline-2,6-diamine +c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY 2-hydroxy-l-tyrosine +c1c(nc(o1)CN)c2nc(cs2)C(=O)O OTZ 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N OU1 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine +CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 OU2 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N OU4 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4 OU5 (5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N OU7 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine +Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N OUA 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine +c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N OUB (s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione +Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O OUC (3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +C([C@@H](CNC(=O)O)N)C(=O)O OUD (3~{s})-3-azanyl-4-(carboxyamino)butanoic acid +C(CC(=O)O)[C@@H](CNC(=O)O)N OUE (4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N OUG 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1c([nH]cn1)C[C@@H](CNC(=O)O)N OUH [(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid +CC[C@H](C)[C@@H](CNC(=O)O)N OUI [(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N OUJ 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(CC[NH3+])C[C@@H](CNC(=O)O)N OUK [(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium +c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N OUL 4-(4-aminocarbonylphenoxy)benzamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N OUM 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N OUP 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine +CC1(CO[C@@H](CN1)c2cccc(c2)F)C OUQ (2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine +C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N OUR [azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N OUS 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(=O)(N)O OUT carbamic acid +CNc1ccnc(c1)C(=O)NC OUW ~{n}-methyl-4-(methylamino)pyridine-2-carboxamide +COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O OUY methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate +CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2 OUZ ~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV1 n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV2 n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +C(C(=O)O)S[C@H](C(=O)O)N OV7 (2r)-amino[(carboxymethyl)sulfanyl]acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N OV8 [(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C OVA 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N OVB [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N OVE 2'-o-(sulfidophosphinato)adenosine +CCCCOc1ccc2c(c1)occ2CC(=O)O OVG (6-butoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N OVH [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O OVJ {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N OVK [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1cccc(c1)C(=O)O OVM 3-methoxybenzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N OVN [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CSc1cccc(c1)C(=O)O OVP 3-(methylsulfanyl)benzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N OVQ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O OVS (6-phenoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N OVT [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +Cc1cccc(c1)C(=O)O OVV 3-methylbenzoic acid +CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OVW [(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O OVY (2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N OVZ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N OW2 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CNc1cccc(c1)C(=O)O OW4 3-(methylamino)benzoic acid +CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OW5 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CCOc1cccc(c1)C(=O)O OW7 3-ethoxybenzoic acid +CNC(=O)c1c2c([nH]n1)CCC2 OW8 ~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide +CN1C[C@H](CC1=O)CC(=O)OC OWA methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate +CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4 OWB ~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide +c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl OWD {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid +COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC OWG 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one +CNC(=S)c1cccnc1 OWH ~{n}-methylpyridine-3-carbothioamide +Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C OWJ (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N OWK metala-carborane di-ethyl-sulfonamide +c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4 OWL n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N OWM (2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3 OWN methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N OWP (2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2 OWQ 3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N OWS (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O OWT ~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N OWV (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one +C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O OWW 3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide +CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C OWY 4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide +C[C@H]1CO[C@@H](CN1)c2ccccc2Cl OWZ (2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine +O OX bound oxygen +CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O OX1 [2'-carboxylethyl]-10-methyl-anthracene endoperoxide +Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OX2 (1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol +c1cc(ccc1C=NOC(=O)C2CCCCC2)O OX3 4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O OX4 3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O OX5 4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime +CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C OX6 tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C OX7 tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC[O] OXA oxydimethylene group +Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C OXB 3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide +C1(NC(=O)NC(=O)N1)C(=O)O OXC oxonic acid +C(=O)(C(=O)O)O OXD oxalic acid +Cc1ccccc1C OXE ortho-xylene +C12=NC(=O)N=C1N=C(NC2=O)N OXG 8-oxoguanine +CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O OXI oxolinic acid +CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F OXJ 1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O OXK oxalyl-coenzyme a +C(=O)(C(=O)[O-])[O-] OXL oxalate ion +C(=O)(C(=O)O)N OXM oxamic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO OXN oxtoxynol-10 +O OXO oxo group +C\C=C/C(=O)C(=O)O OXP 2-oxo-3-pentenoic acid +c1(c(non1)O)C(=O)O OXQ 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid +CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C OXR 4-oxoretinol +C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O OXS 2-oxalosuccinic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O OXT 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C OXV ~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide +CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F OXW 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile +C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-] OXX oxalyl-aspartyl anhydride +O=O OXY oxygen molecule +C1[C@H]([C@@H]([C@H](ON1)CO)O)O OXZ tetrahydrooxazine +CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C OY0 (2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide +CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC OY2 methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate +CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F OY4 n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY5 ca ix mimic +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY8 metala-carborane di-ethyl-sulfonamide +CCCCCCCC=O OYA octanal +COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2 OYB ~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine +CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO OYD 6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O OYE bn7gpppg mrna 5' cap analog +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C OYG 6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl OYJ (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CNc1c2c(ncn1)n(cn2)C OYK ~{n},9-dimethylpurin-6-amine +CCn1cc(nc1)C[C@@H](C(=O)O)N OYL 1-ethyl-l-histidine +CNc1c2c([nH]cn2)nc(n1)Cl OYN 2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine +CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O OYP 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid +CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N OYQ (4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide +c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N OYS 2-phenyl-n-(4-sulfamoylphenyl)acetamide +CNc1c2c(ncn1)n(cn2)C3CC3 OYT 9-cyclopropyl-~{n}-methyl-purin-6-amine +CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O OYV 1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl OYW 4-cl-bn7gpppg mrna 5' cap analog +CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N OYZ (2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N OZ1 4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC OZ2 (2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O OZ4 (7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one +CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C OZ5 (2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O OZ7 (8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one +c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 OZ8 4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one +CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C OZA (5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO OZD 6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZE (((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate +COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O OZG [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZH (2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid +c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O OZJ 2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N OZK 3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide +c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O OZM (6-benzyl-1-benzofuran-3-yl)acetic acid +Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl OZN 2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide +c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O OZP 9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine +CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC OZQ 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-] OZR n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-] OZS n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +C[C@@H]1[C@H](NC(=O)O1)C(=O)O OZT (4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N OZV 5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine +c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N OZW phenylhydrazinyl phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O OZY (1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-] OZZ n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O P 2'-deoxy-n1,n2-propano guanosine monophosphate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O P00 (2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl P01 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N P02 n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide +C(COCCCOCCO)COCCO P03 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol +c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2 P04 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N P05 d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F P06 dabrafenib +CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5 P07 1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole +Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4 P08 pik-108 +Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O P09 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid +C(CCC(=O)O)C[C@H](C(=O)O)N P0A (2r)-2-aminoheptanedioic acid +CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2 P0B 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O P0C 6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O P0D (2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC P0E phosphatidyl ethanol +c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F P0F 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol +Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O P0G 8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O P0H n-[(benzyloxy)carbonyl]glycyl-l-proline +OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O P0J 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone +CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2 P0K 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O P0L (2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid +CC1(CO[C@@H](CN1)c2ccccc2Cl)C P0N (2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine +Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O P0P [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl P0Q (2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine +OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O P0S 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone +CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O P0T cannabidiol +c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O P0V 9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine +CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 P0W 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N P0Y (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid +CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C P0Z 3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide +c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3 P10 [1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C P11 imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide +[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC P12 4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium +c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN P13 n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine +COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N P14 n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine +COCCOCCOCCOCCOCCOCCO P15 2,5,8,11,14,17-hexaoxanonadecan-19-ol +CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl P16 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl P17 6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one +c1ccc(cc1)C(=O)CCO P18 3-hydroxy-1-phenylpropan-1-one +c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4 P19 n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O P1A 2,3,14,20,22-pentahydroxycholest-7-en-6-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3 P1B (5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O P1C deacetoxycephalosporin-c +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O P1D ((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid +CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F P1E 4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2N P1F 2-(2-azanylphenoxy)-5-hexyl-phenol +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N P1G ((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid +CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O P1H {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O P1J n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine +B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O P1K phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid +CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N P1L s-palmitoyl-l-cysteine +CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br P1M (3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC P1O 1,2-didecanoyl-sn-glycero-3-phosphocholine +C(C[O-])CO[P+](=O)[O-] P1P 3-{[oxido(oxo)phosphino]oxy}propan-1-olate +C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl P1Q 1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol +c1cncnc1 P1R pyrimidine +c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O P1S (6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O P1T 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid +CC(=CCO)C P1W 3-methylbut-2-en-1-ol +COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O P1Y 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 P1Z 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione +c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl P20 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid +COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl P21 4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide +CCO[P@](=O)(O)OP(=O)(O)O P22 ethyl dihydrogen diphosphate +CCCO[P@@](=O)(O)OP(=O)(O)O P23 propyl trihydrogen diphosphate +C(CCNCCN)CN P24 1-(aminoethyl)amino-4-aminobutane +CCCCCO[P@@](=O)(O)OP(=O)(O)O P25 pentyl trihydrogen diphosphate +CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C P26 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid +c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F P27 {[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid) +CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O P28 3',5'-dinitro-n-acetyl-l-thyronine +c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N P29 4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C P2A 1,2-diethanoyl-sn-glycero-3-phosphate +c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4 P2B 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl P2C 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid +CC(=O)CC(=O)C P2D pentane-2,4-dione +CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O P2E (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O P2F 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N P2G (2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid +c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O P2H 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium +CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C P2I 1,2-diacetoyl-sn-glycero-3-phosphoinositol +CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O P2J 9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine +C(COCCOCCOCCOCCOCCO)O P2K polyethylene glycol peg2000 +CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl P2L 4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3 P2M n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O P2N (5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione +C#CCN1CCOC1=O P2O 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O P2P n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine +c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P2Q 2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine +CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O P2S (2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid +CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O P2T 2'-o-propyl thymidine-5-monophosphate +C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O P2U 2'-deoxy-pseudouridine-5'monophosphate +CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N P2X 2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol +C1C[C@H](NC1)CN P2Y (2s)-pyrrolidin-2-ylmethylamine +CN(C)CCCN1c2ccccc2Sc3c1cccc3 P2Z promazine +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6 P30 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea +c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F P31 5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine +CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O P32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile +C(COCCOCCOCCOCCOCCOCCO)O P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol +CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2 P34 n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide +c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O P35 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol +c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3 P36 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one +Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5 P37 n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6 P38 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6 P39 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC P3A phosphatidylglycerol-phosphoglycerol +CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O P3B (3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid +Cl[Pt-](Cl)Cl P3C trichloroplatinate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O P3D (4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O P3E [[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O P3F phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester +CCOCCOCCOCCOCCOCC P3G 3,6,9,12,15-pentaoxaheptadecane +CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O P3H [(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3 P3I n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1cc(cnc1)c2cc([nH]n2)N P3J 3-(pyridin-3-yl)-1h-pyrazol-5-amine +c1cc(c(c(c1)O)O)C#N P3K 2,3-bis(oxidanyl)benzenecarbonitrile +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C P3N n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O P3P (2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid +c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P3Q 2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine +C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N P3S l-methionine-s-sulfoximine phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O P3T (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl P3U 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N P3V (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate +CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC P3Y 5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide +COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O P3Z (s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 P40 n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide +CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F P41 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O P42 (2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F P43 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4 P44 2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl P45 2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O P46 (3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide +c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl P47 (2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid +CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C P48 n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4 P49 1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC P4A 4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol +C[C@@H](N[C@H](CCN)C(=O)O)O P4B (2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid +C(COCCOCCOCCOCCOCCOCC=O)O P4C o-acetaldehydyl-hexaethylene glycol +c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O P4D (2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid +c1ccc(cc1)C=CC[C@@H](C(=O)O)N P4E (2s,4e)-2-amino-5-phenylpent-4-enoic acid +C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O P4F 5,5-difluoro-4-oxo-5-phosphono-d-norvaline +CCOCCOCCOCC P4G 1-ethoxy-2-(2-ethoxyethoxy)ethane +c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O P4H [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O] P4J [(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium +CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO P4K polyethylene glycol +c1ccnc(c1)c2nc3c(c(n2)O)CSCC3 P4L 2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F P4N 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O P4O 2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 P4P tetraphenylphosphonium +c1cc2c(c(ncn2)N)nc1 P4Q pyrido[3,2-d]pyrimidin-4-amine +C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O P4S (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide +Cc1c(sc(n1)Nc2ccccc2)C(=O)C P4T 2-phenylamino-4-methyl-5-acetyl thiazole +CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O P4U 4-propyl, uridine-5'-monophosphate +CN(C)S(=O)(=O)c1cccc2c1ccnc2 P4W ~{n},~{n}-dimethylisoquinoline-5-sulfonamide +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O P4Y 5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid +CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl P4Z (2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC P50 (19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3 P51 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N P52 nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O P53 2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside +Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N P54 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine +CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N P55 2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4 P57 3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole +CN(Cc1ccccc1)C(=S)S P58 benzyl(methyl)carbamodithioic acid +c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F P59 (2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N P5A '5'-o-(n-(l-prolyl)-sulfamoyl)adenosine +CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N P5B n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide +Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N P5C 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide +c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O P5D (2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O P5E [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate +CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O P5F n-propargylglycine-modified flavin adenine dinucleotide +COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O P5G 4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol) +CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C P5H 6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide +Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6 P5J (3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4 P5K 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O P5M 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium +c1cc(ccc1C=O)n2ccnc2 P5N 1-(4-methylphenyl)imidazole +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P5P purine riboside-5'-monophosphate +Cc1ccc(cc1)n2cncn2 P5Q 1-(4-methylphenyl)-1,2,4-triazole +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC P5S o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N P5T meta-nidocarborane propyl-sulfonamide +c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N P5U o-[(4-cyanophenyl)sulfonyl]-l-serine +c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2 P5V (3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one +c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O P5W 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid +c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F P5Y n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide +c1ccc(c(c1)c2c(nco2)C(=O)O)F P60 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid +CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P61 (2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl P62 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione +CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N P63 n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide +CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N P64 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine +Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl P65 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine +c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F P66 4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br P68 1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F P69 (2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3 P6A 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole +c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O P6B (3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol +CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N P6C 2-amino-4-isopropyl-pteridine-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-] P6D 2'-azidocytidine +C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6F 1,6-di-o-phosphono-d-fructose +C(COCCOCCOCCOCCOCCO)O P6G hexaethylene glycol +CS(=O)(=O)c1ccccc1CO P6H (2-methylsulfonylphenyl)methanol +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C P6J n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide +CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC P6L (2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate +C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6M (4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine +C[C@H]1CCc2ccccc2C1=O P6N (2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O P6P 6-o-phosphono-alpha-d-fructofuranose +B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N P6Q meta-carborane propyl-sulfonamide +c1ccc(cc1)COC(=O)O P6S benzyl hydrogen carbonate +C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6T 1,6-di-o-phosphono-d-tagatose +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6U (4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +c1cc(ccc1CN)C(=O)NO P6V 4-(aminomethyl)-n-hydroxybenzamide +C(CC(=O)N)CC(=O)N P6W pentanediamide +c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO P6Y n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide +c1cc(cc(c1)n2ccnc2)C=O P6Z 3-imidazol-1-ylbenzaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O P70 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine +CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P71 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid +[H]/N=C(\c1ccc(cc1)O)/N P72 4-oxidanylbenzenecarboximidamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C P74 tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N P75 4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide +C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O P76 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P77 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine +CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4 P78 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3 P79 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4 P7A 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4 P7B 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C P7C 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea +CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO P7D resminostat +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O P7E 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde +CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3 P7F (2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid +CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P7G 7-propyl, guanosine-5'-monophosphate +B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N P7H meta-carborane di-propyl-sulfonamide +C(CP(=O)(O)O)N P7I (2-aminoethyl)phosphonic acid +CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C P7J 4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide +C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O P7K (3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br P7M n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C P7N ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O P7Q (3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N P7S n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide +C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O P7T 4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde +c1cc(ccc1c2nc(co2)C(=O)NO)Br P7V 2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide +c1ccc(c(c1)/C=C/[N+](=O)[O-])O P7Y 2-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N P7Z ortho-carborane di-propyl-sulfonamide +c1cc(cc(c1)O)/C=C/[N+](=O)[O-] P80 3-[(e)-2-nitroethenyl]phenol +c1cc(ccc1/C=C/[N+](=O)[O-])O P81 4-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N P82 para-carborane di-propyl-sulfonamide +CCn1c2ccccc2c3c1ccc(c3)CNC P83 1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine +CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I P84 2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F P85 n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I P86 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol +C1CCN(C1)C(=O)CC[C@H]2CCOC2 P87 3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one +Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid +CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O P89 [6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N P8B para-carborane propyl-sulfonamide +C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O P8D phosphinate pseudodipeptide l-ala-d-asp +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O P8E 5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O P8G (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol +c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3 P8H 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O P8J methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside +c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N P8M 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C P8N (~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC P8P (2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C P8Q (s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide +C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F P8S heptadecafluoro-1-octanesulfonic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C P8T ~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide +Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N P8V 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3 P8W 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O P8X desmethyl-hba +CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P8Y (2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol +CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C P8Z 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one +c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5 P90 {4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid +Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl P91 8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide +c1ccc2c(c1)NC(=S)O2 P92 3~{h}-1,3-benzoxazole-2-thione +c1cocc1CNC(=O)N2CCCC2 P93 n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N P94 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile +c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3 P95 ~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3 P96 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N P97 d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide +CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4 P98 2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline +c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F P99 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide +C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O P9A 3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N P9B 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2 P9C 3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-] P9D [{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate +c1cc2c(cc1S(=O)(=O)N)NC(=S)O2 P9E 2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O P9G diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum +c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N P9H (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O P9I 1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4 P9J 4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one +CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C P9K n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide +CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3 P9L 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C P9M n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C P9N pregnanolone +c1cc(c(cc1N(=O)=O)Cl)O P9P 2-chloranyl-4-nitro-phenol +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN P9Q (1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol +C([C@H](CSC[C@@H](C(=O)O)N)O)O P9S dihydroxypropylcysteine +c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F P9T [(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P9V (2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol +c1cc(ccc1OCCCn2ccnc2)Cl P9Y 1-[3-(4-chlorophenoxy)propyl]-1h-imidazole +c1ccc(cc1)[As]=O PA0 phenylarsine oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O PA1 2-amino-2-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N PA2 paromomycin (ring 2) +C1[C@H](CO[C@@H]1CO)O PA3 paromomycin (ring 3) +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N PA4 paromomycin (ring 4) +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O PA5 5-phosphoarabinonic acid +CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O PA6 (r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate +CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PA7 n-propyl carboxyamido adenosine +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC PA8 1,2-dioctanoyl-sn-glycero-3-phosphate +CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O PA9 n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine +c1cc(ccc1C(=O)O)N PAB 4-aminobenzoic acid +c1ccc(cc1)CC(=O)O PAC 2-phenylacetic acid +c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O PAD 5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide +C(C(=O)O)P(=O)(O)O PAE phosphonoacetic acid +CC(C)(CO)[C@H](C(=O)[O-])O PAF pantoate +C([C@H](C(=O)O)OP(=O)(O)O)O PAG 2-phospho-d-glyceric acid +C(C(=O)NO)P(=O)(O)O PAH phosphonoacetohydroxamic acid +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O PAI {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid +CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PAJ pantoyl adenylate +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2 PAK 9-cyano paullone +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O PAL n-(phosphonacetyl)-l-aspartic acid +CCCCCC\C=C/CCCCCCCC(=O)O PAM palmitoleic acid +C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O PAN 5-phospho-d-arabinohydroxamic acid +C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O PAO n-(phosphonoacetyl)-l-ornithine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N PAP 3'-phosphate-adenosine-5'-diphosphate +c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N PAQ 2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N PAR paromomycin +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PAS 2-amino-4-oxo-4-phosphonooxy-butyric acid +c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O PAT alpha-phosphono-tryptophan +CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O PAU pantothenoic acid +C[C@@]1(C([C@H](CO1)O)(O)O)O PAV (2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran +C(CNCCNCCNCCN)N PAW n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O PAX 5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate +C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PAY octane-1,3,5,7-tetracarboxylic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O PAZ n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine +[Pb+2] PB lead (ii) ion +CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O PB0 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide +C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O PB1 3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid +c1ccc(cc1)c2ccc(cc2)Cn3ccnc3 PB2 1-(biphenyl-4-ylmethyl)-1h-imidazole +Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C PB3 n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide +Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F PB4 n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide +c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3 PB5 n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide +CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O PB6 3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium +CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C PB7 (2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide +CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C PB8 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide +Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5 PB9 methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate +B(CCc1ccccc1)(O)O PBA phenylethane boronic acid +c1cc(ccc1CSC[C@@H](C(=O)O)N)Br PBB s-(4-bromobenzyl)cysteine +B(c1ccccc1)(O)O PBC phenyl boronic acid +COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2 PBD 1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea +C[N+]1(CCC[C@H]1C(=O)O)C PBE 1,1-dimethyl-prolinium +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N PBF para-(benzoyl)-phenylalanine +c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O PBG 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6 PBH (11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O PBI [2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde +CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PBK 5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +CC(CC(C)(O)O)(O)O PBL pentane-2,2,4,4-tetrol +C[Pb+](C)C PBM trimethyl lead ion +c1ccc(cc1)CCCCN PBN 4-phenylbutylamine +CCCC(=O)c1cccnc1 PBO 1-pyridin-3-ylbutan-1-one +c1cc(ccc1C(=O)CBr)Br PBP p-bromophenacyl bromide +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br PBQ pentabromopseudilin +c1(c(c(c(c(c1Br)Br)Br)Br)Br)O PBR pentabromophenol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O PBS (2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PBT [3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate +CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC PBU (2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate +CCc1cccc(n1)N PBV 6-ethylpyridin-2-amine +C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O PBW (1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +c1cc(c(c(c1O)O)O)Br PBX 4-bromobenzene-1,2,3-triol +c1cc(cc(c1)Cl)Nc2cc(ncn2)N PBY n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine +c1cc(ccc1C(=[NH2+])N)N PBZ p-amino benzamidine +C[N+](C)(C)CCOP(=O)(O)O PC phosphocholine +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C PC0 1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC1 1,2-diacyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC2 di-stearoyl-3-sn-phosphatidylcholine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C PC3 coproporphyrin i containing co(iii) +Cl[Pt-2](Cl)(Cl)Cl PC4 tetrachloroplatinate(ii) +CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC PC5 1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C PC6 7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C PC7 (7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC PC8 1,2-dioctanoyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br PC9 (7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +C1CC(=O)N[C@@H]1C(=O)O PCA pyroglutamic acid +CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl PCB 4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl +C1CC(=O)N[C@@H]1C(=O)O PCC 5-oxoproline +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O PCD (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v) +C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O PCE 2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC PCF 1,2-diacyl-sn-glycero-3-phoshocholine +c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N PCG cyclic guanosine monophosphate +c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O PCH 3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol +c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O PCI pentachlorophenol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC PCJ (2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br PCK (7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide +Cl[Pt]Cl PCL platinum(ii) di-chloride +CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 PCM 1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C PCN 2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O PCO 2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide +C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O PCP 1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl PCQ 3,5,3',5'-tetrachloro-biphenyl-4,4'-diol +Cc1ccc(cc1)O PCR p-cresol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS phenylalanylmethylchloride +C(C(=O)N)P(=O)(O)O PCT phosphonoacetamide +CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PCU cu(ii)meso(4-n-tetramethylpyridyl)porphyrin +C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O PCV 5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC PCW 1,2-dioleoyl-sn-glycero-3-phosphocholine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O PCX deoxyguanidinoproclavaminic acid +Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O PCY pactamycin +CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O PCZ (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[Pd+2] PD palladium ion +CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC PD1 1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea +c1cnc(cc1C(=O)O)C(=O)O PD2 pyridine-2,4-dicarboxylic acid +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N PD3 1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4 PD4 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N PD5 1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3 PD6 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one +CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC PD7 (2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate +c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N PD8 phosphorylated dihydropteroate +CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N PD9 (~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O PDA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid +C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F PDB 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(nc(c1)C(=O)O)C(=O)O PDC pyridine-2,6-dicarboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O PDD n-(5'-phosphopyridoxyl)-d-alanine +C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PDE para-nitrophenyl phosphonobutanoyl d-alanine +C1[C@H](NCC1(F)F)C(=O)O PDF 4,4-difluoro-l-proline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O PDG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid +c1ccc(cc1)C[C@H](CO)N PDH (2s)-2-amino-3-phenyl-1-propanol +C(CO)COP(=O)(O)O PDI phosphoric acid mono-(3-hydroxy-propyl) ester +CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC PDJ (2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC PDK (10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PDL n-(5'-phosphopyridoxyl)-l-alanine +c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O PDM 4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid +C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C PDN 17,21-dihydroxypregna-1,4-diene-3,11,20-trione +C(CO)CO PDO 1,3-propandiol +Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O PDP pyridoxal-5'-diphosphate +Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N PDQ 3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione +Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl PDR 3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine +Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C PDS 3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +C(CS)CS PDT 1,3-propanedithiol +CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PDU 5(1-propynyl)-2'-deoxyuridine-5-monophosphate +O[V]1(O[V](O1)([O-])[O-])([O-])[O-] PDV divanadate ion +COC(=O)[C@H]1CCCN1 PDW methyl d-prolinate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O PDX 2,3-di-o-sulfo-alpha-d-glucopyranose +CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C PDY n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine +c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl PDZ 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one +c1cnc2c(n1)C(=O)NC(=N2)N PE0 pterine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O PE1 n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine +c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N PE2 9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol +CCOCCOCCOCCOCCOCCOCCOCCO PE4 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol +CCOCCOCCOCCOCCOCCOCCOCCOCCO PE5 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol +C(COCCOCCOCCOCCOCCOP(=O)(O)O)O PE6 phosphoryl-hexaethylene glycol +C(COCCOCCOCCOCCOCCOCCS)O PE7 1-deoxy-1-thio-heptaethylene glycol +C(COCCOCCOCCOCCOCCOCCOCCO)O PE8 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol +CCCCCO PE9 pentan-1-ol +c1ccc(cc1)CC[NH3+] PEA 2-phenylethylamine +CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C PEB phycoerythrobilin +CCCCCSSC[C@@H](C(=O)O)N PEC s,s-pentylthiocysteine +CC[C@@H]([C@@H](COP(=O)(O)O)O)O PED pentane-3,4-diol-5-phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC PEF di-palmitoyl-3-sn-phosphatidylethanolamine +C(COCCO)O PEG di(hydroxyethyl)ether +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC PEH di-stearoyl-3-sn-phosphatidylethanolamine +CCCCC(=O)O PEI pentanoic acid +[O-]I(=O)(=O)=O PEJ periodate +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC PEK (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +c1ccc(cc1)CCO PEL 2-phenyl-ethanol +CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl PEM 2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid +OO PEO hydrogen peroxide +C=C(C(=O)O)OP(=O)(O)O PEP phosphoenolpyruvate +C[C@@H](C(=O)O)OP(=O)(O)O PEQ l-phospholactate +[O-][O-] PER peroxide ion +[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N PET 1,5-di(4-amidinophenoxy)-3-oxa-pentane +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO PEU 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PEV (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PEW (1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC PEX 1,2-didecanoyl-sn-glycero-3-phosphoethanolamine +c1ccc2c(c1)ccc3c2cccc3 PEY phenanthrene +CCC(C(=O)O)OP(=O)(O)O PEZ 2-(phosphonooxy)butanoic acid +c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N PF proflavine +Cc1c(cccc1O)C(=O)O PF0 3-hydroxy-2-methylbenzoic acid +Cc1ncc(c(n1)N)CN(CCO)C=O PF1 n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide +c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F PF2 2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine +c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4 PF3 (2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid +COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC PF4 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole +C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N PF5 2,3,4,5,6-pentafluoro-l-phenylalanine +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5 PF6 2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O PF7 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5 PF8 2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5 PF9 2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3 PFA [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil +C(c1c(c(c(c(c1F)F)F)F)F)O PFB 2,3,4,5,6-pentafluorobenzyl alcohol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C PFC phenylferricrocin-iron +CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F PFD 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione +CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO PFE {4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol +c1cc(ccc1C[C@@H](C(=O)O)N)F PFF 4-fluoro-l-phenylalanine +C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O PFG 10-parpargyl-5,8-dideazafolate-4-glutamic acid +COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4 PFH 6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline +CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3 PFI (6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4 PFJ 6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline +COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3 PFK 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline +CC(C)c1cccc(c1O)C(C)C PFL 2,6-bis(1-methylethyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O PFM 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate +C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O PFN fenoprofen +c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F PFO 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine +COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO PFP 2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO PFQ 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol +COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5 PFR 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline +CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C PFS (2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O PFT 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol +C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O PFU (1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O PFV (6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid +COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6 PFW 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline +c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O PFX (2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium +Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl PFY (3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O PFZ 1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane +COCCOCCO PG0 2-(2-methoxyethoxy)ethanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C PG1 penicillin g acyl-serine +CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O PG2 prostaglandin d2 +C(CNC(=[NH2+])N)CO PG3 guanidine-3-propanol +C(COCCOCCOCCO)O PG4 tetraethylene glycol +COCCOCCOCCOC PG5 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane +COCCOCCOCCOCCOCCOC PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N PG7 ((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC PG8 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol) +c1ccc(cc1)[C@H](C(=O)O)N PG9 d-phenylglycine +C(C(=O)O)OP(=O)(O)O PGA 2-phosphoglycolic acid +C(C(=O)NO)OP(=O)(O)O PGC o-phosphoglycolohydroxamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N PGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +C(COCCOCCO)O PGE triethylene glycol +CCOCCOCCOCCOC PGF 2,5,8,11-tetraoxatridecane +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O PGG para-nitrophenylphosphonobutanoyl-glycine +C(C(=O)NO)OP(=O)(O)O PGH phosphoglycolohydroxamic acid +c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O PGI (5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol +CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O PGJ 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PGK (1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +C(N)P(=O)(O)O PGL (aminomethyl)phosphonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O PGM 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N PGN 2'-deoxyguanosine-3',5'-diphosphate +C[C@@H](CO)O PGO s-1,2-propanediol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N PGP guanosine-3',5'-diphosphate +C[C@@H](CO)O PGQ s-1,2-propanediol +C[C@H](CO)O PGR r-1,2-propanediol +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O PGS 2-deazo-6-thiophosphate guanosine-5'-monophosphate +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O PGT (1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PGU n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC PGV (1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC PGW (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO PGX 7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid +c1ccc(cc1)[C@H](C(=O)O)N PGY phenylglycine +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O PGZ methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside +c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O PH0 n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C PH1 1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO PH2 2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one +c1cc(ccc1NC(=N)NO)Cl PH3 n-(chlorophenyl)-n'-hydroxyguanidine +C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O PH4 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O PH5 benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O PH6 (4s)-4-cyclohexyl-l-proline +c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O PH7 (2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid +c1ccc(cc1)CCC[C@@H](C(=O)O)N PH8 5-phenyl-l-norvaline +c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br PH9 (2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid +c1ccc(cc1)C[C@@H](C=O)N PHA phenylalaninal +c1cc(ccc1C(=O)O)O PHB p-hydroxybenzoic acid +C[C@@H](c1ccccc1)N(C)C=O PHC n-methyl-n-(methylbenzyl)formamide +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PHD aspartyl phosphate +c1ccc(cc1)C[C@@H](C(=O)O)N PHE phenylalanine +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 l-phenylalanine c-terminal deprotonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H l-phenylalanine c-terminal protonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH l-phenylalanine free neutral +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW l-phenylalanine free zwitterion +c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL l-phenylalanine - linking embedded fragment +c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 l-phenylalanine n-terminal protonated fragment +O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O PHF hf-oxo-phosphate cluster phf +c1ccc(cc1)[Hg] PHG phenylmercury +C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 PHH 4,5,6,7-tetrachloro-phthalide +c1cc(ccc1C[C@@H](C(=O)O)N)I PHI iodo-phenylalanine +c1ccc(cc1)NC(=O)ON PHJ n-[(aminooxy)carbonyl]-n-phenylamine +c1ccc(cc1)C[C@@H]([C@H](CCl)O)N PHK (2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol +c1ccc(cc1)C[C@@H](CO)N PHL l-phenylalaninol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM (3s)-3-amino-1-chloro-4-phenylbutan-2-one +c1cc2ccc3cccnc3c2nc1 PHN 1,10-phenanthroline +CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C PHO pheophytin a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 PHP (2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid +c1ccc(cc1)COC(=O)Cl PHQ benzyl chlorocarbonate +C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O PHR 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate +OP(=O)O PHS phosphonic acid +c1ccc(c(c1)C(=O)O)C(=O)O PHT phthalic acid +c1ccc(cc1)NC(=O)N PHU 1-phenylurea +COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O PHV n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide +CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6 PHW n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide +c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 PHX 4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid +C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O PHY 1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid +c1ccc(cc1)NN PHZ 1-phenylhydrazine +OP(=O)([O-])[O-] PI hydrogenphosphate ion +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N PI0 (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI1 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O PI2 2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O PI3 11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione +CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI4 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O PI5 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O PI6 [1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O PI7 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O PI8 n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N PI9 (10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N PIA [(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC PIB 2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O PIC 6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid +CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C PID peridinin +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC PIE 1,2-diacyl-sn-glycero-3-phosphoinositol +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIF (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +C(COCCOCCO)O PIG 2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol +c1ccc(cc1)I PIH iodobenzene +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O PII 2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC PIK (2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate +COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl PIL 3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide +c1ccc(cc1)c2cnc[nH]2 PIM 4-phenyl-1h-imidazole +C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O PIN piperazine-n,n'-bis(2-ethanesulfonic acid) +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIO [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate +C1CCNCC1 PIP piperidine +Cn1c2cc(cnc2nc1N)c3ccccc3 PIQ 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine +c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N PIR 2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol +OP(=O)(O)O[P@](=O)(O)[S-] PIS trihydrogen thiodiphosphate +c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O PIT piceatannol +Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C PIU 1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium +CC(C)(C)C(=O)O PIV pivalic acid +c1ccc(cc1)n2ccnc2 PIW 1-phenyl-1h-imidazole +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O PIX 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +c1ccc(cc1)c2[nH]ccn2 PIY 2-phenyl-1h-imidazole +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC PIZ (2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate +CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl PJ1 (2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol +CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O PJ2 (5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid +CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl PJ4 (1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline +C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO PJ5 (1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol +c1c(coc1C(=O)O)N PJ7 4-aminofuran-2-carboxylic acid +CCCCCCCCCCCCCCCCC PJ8 heptadecane +Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O PJA 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid +COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O PJB 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F PJC 3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione +CS(=O)(=O)Cc1c(cccc1Cl)Cl PJD 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene +C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N PJE (e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid +C1C2CC3CC1CC(C2)(C3)NCCN PJG n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine +CNC(=O)c1cccnc1 PJH ~{n}-methylpyridine-3-carboxamide +c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O PJJ (2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid +c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl PJK (3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid +C(/C=N/C(=O)/C=C/O)C(=O)O PJL (3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid +c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F PJM n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +CCN(CC)S(=O)(=O)c1ccc(cc1)C PJP n,n-diethyl-4-methylbenzene-1-sulfonamide +CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO PJQ 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione +Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F PJS n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide +Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O PJT (9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one +c1ccc(c(c1)Oc2cccnn2)Br PJV 3-(2-bromophenoxy)pyridazine +c1ccc2c(c1)-c3ccccc3I2 PJW benzo[b][1]benziodole +CN(C)C(=O)c1cccnc1SC PJY n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide +CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC PJZ (2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate +C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O PK0 4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile +C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O PK1 (5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N PK2 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N PK3 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1cccc(c1F)S(=O)(=O)NC PK4 2-fluoro-n,3-dimethylbenzene-1-sulfonamide +CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C PK5 2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide +CNS(=O)(=O)c1cccs1 PK6 n-methyl-2-thiophenesulfonamide +c1cc(c(cc1CN)Cl)F PK7 1-(3-chloro-4-fluorophenyl)methanamine +c1cc[n+]2c(c1)S[Zn]O2 PK8 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene +CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1 PK9 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate +CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl PKA n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide +CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F PKB 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine +c1ccc(cc1)C[C@@H]([C@@H](CN)O)N PKC (2r,3s)-1,3-diamino-4-phenylbutan-2-ol +c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl PKD (4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid +CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C PKE ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O PKF carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5 PKG (3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5 PKJ n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide +Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl PKL n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C PKM 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C PKP 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one +C[N@@]1CCC[C@H]1C(=O)O PKR (2s)-1-methylpyrrolidine-2-carbaldehyde +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O PKS 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3 PKT tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate +CNC(=O)c1cc(c[nH]1)Br PKU 4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide +B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O PKV [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O PKY [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O PKZ palmitoyl-coa +[H]/N=C(/N)\Nc1ccccc1 PL0 1-phenylguanidine +Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PL1 cobalt (iii)-deglycopepleomycin +[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O PL2 (4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCO PL3 hexadecan-1-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL4 (2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL5 (2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O PL6 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid +c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O PL7 (2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O PL8 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C PL9 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O PLA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl PLB 2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC PLC diundecyl phosphatidyl choline +CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC PLD di-heneicosanoyl phosphatidyl choline +CC(C)C[C@H](N)P(=O)(O)O PLE [(1r)-1-amino-3-methylbutyl]phosphonic acid +C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2 PLF 2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O PLG n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC PLH methylamino-phenylalanyl-leucyl-hydroxamic acid +CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PLI (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +COC(=O)[C@@H]1CCCN1 PLJ methyl l-prolinate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O PLK (3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid +C1C2[Pd]1C2 PLL palladium(ii) allyl complex +CCCCCCCCCCCCCCCC(=O)O PLM palmitic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C PLO (3beta)-3-hydroxypregn-5-en-20-one +Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O PLP pyridoxal-5'-phosphate +C1=CC(=O)C=CC1=O PLQ 1,4-benzoquinone +Cc1c(cnc(c1O)C)COP(=O)(O)O PLR (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O PLS [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O PLT [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane +CC(C)C[C@H](N)P(=O)(O)O PLU leucine phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O PLV n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine +CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N PLW (2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C PLX (9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol +CCCCCCCCCCCCCCCC=O PLY palmitoyl +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O PLZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O PM0 premithramycin b +c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N PM1 [2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone +c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN PM2 1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine +c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O PM3 2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM4 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate +CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM5 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate +c1[nH]c2c(n1)c(ncn2)S PM6 9h-purine-6-thiol +CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C PM7 (5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM8 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate +CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PM9 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid +c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O PMA pyromellitic acid +c1cc(ccc1S(=O)(=O)O)[Hg] PMB para-mercury-benzenesulfonic acid +c1cc(c(nc1)C(=O)O)CP(=O)(O)O PMC 3-(phosphonomethyl)pyridine-2-carboxylic acid +c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N PMD [n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine +COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N PME n-l-alpha-aspartyl l-phenylalanine 1-methyl ester +c1ccc(cc1)CS(=O)(=O)F PMF phenylmethylsulfonyl fluoride +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O PMG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O PMH (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)CC(C2)(N)P(=O)(O)O PMI (2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N PMJ n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide +CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O PMK (4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate +C(CCC(=O)O)CCC(=O)O PML pimelic acid +c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O PMM pterin-6-yl-methyl-monophosphate +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2 PMN platensimycin +COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PMO n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)CN)O PMP 4'-deoxy-4'-aminopyridoxal-5'-phosphate +c1ccc(cc1)CNC(=O)O PMQ benzylcarbamic acid +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C PMR protochlorophyllide +c1ccc(cc1)CS(=O)(=O)O PMS phenylmethanesulfonic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O PMT phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester +CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O PMU (3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol +C[C@@](CCOP(=O)(O)O)(CC(=O)O)O PMV (3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid +CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC PMW methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate +COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O PMX 3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PMY aglycon of peplomycin +CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C PMZ 1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C PN0 prinomastat +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C PN1 (2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O PN2 4'-(3-aminopropionic) phosphopantetheine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O PN3 tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O PN4 (2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O PN5 (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate +CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2 PN6 (3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O PN7 n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O PN8 (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNA 4-nitrophenyl alpha-d-mannopyranoside +c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-] PNB 4-nitro-benzylphosphonobutanoyl-glycine +c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-] PNC para-nitrobenzyl glutaryl glycinic acid +c1cc(ccc1NN)[N+](=O)[O-] PND p-nitrophenylhydrazine +CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNE para-nitrophenyl phosphonobutanoyl l-alanine +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O PNF 6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNG 4-nitrophenyl alpha-d-glucopyranoside +CCCC(=O)C PNH pentan-2-one +CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PNI tetra[n-methyl-pyridyl] porphyrin-nickel +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N PNJ 4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C PNK (2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCC=O PNL propanal +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C PNM open form - penicillin g +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C PNN penicillin g +C[P@](=O)(N)O PNO p-methyl aminophosphinic acid +C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNP methyl-phosphonic acid mono-(4-nitro-phenyl) ester +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F PNQ p-nitrophenyl aminoethyldiphosphate beryllium trifluoride +CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] PNR 4-nitrophenyl hexadecanoate +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O PNS 4'-phosphopantetheine +c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N PNT 1,5-bis(4-amidinophenoxy)pentane +C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N PNU 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C PNV (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNW 4-nitrophenyl beta-d-glucopyranoside +CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C PNX 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O PNY (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +c1cc(ccc1CN)[N+](=O)[O-] PNZ p-nitro-benzylamine +CC[C@H](Cc1ccccc1)N PO0 1-benzyl-(r)-propylamine +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC PO1 (9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate +[O-]P=O PO2 hypophosphite +[O-][P-](=O)[O-] PO3 phosphite ion +[O-]P(=O)([O-])[O-] PO4 phosphate ion +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O PO5 (2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +c1ccc(cc1)OCC(=O)N PO6 2-phenoxyacetamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2 PO7 (6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione +C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O PO8 (1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O PO9 [(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate +C(C=O)P(=O)(O)O POA phosphonoacetaldehyde +CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O POB 2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid +C[N+](C)(C)CCOP(=O)(O)O POC phosphocholine +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4 POD 9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N POF (4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O POG (20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol +C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3 POH (1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O POI n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine +c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4 POJ n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O POK 2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid +CCCO POL n-propanol +C[C@H]1C(=O)C[C@H](N1)C(=O)O POM cis-5-methyl-4-oxoproline +N=[P@@](O)([O-])O[P@](=O)(O)[O-] PON imido diphosphate +C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O POO 3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +O[P@@](=O)([O-])O[P@@](=O)(O)[O-] POP pyrophosphate 2- +CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O POQ bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate +c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8 POR porphyrin fe(iii) +CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3 POS 1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol +CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl POT (1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate +CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC POU peloruside a +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC POV (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3 POW diperodon +COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N POX 4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime +CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C POY 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F POZ 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol +CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C PP0 ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate +Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N PP1 1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N PP2 1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PP3 alanyl-pyridoxal-5'-phosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O PP4 methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3 PP5 methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC PP6 methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide] +CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C PP7 methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate +CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC PP8 2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester +Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C PP9 protoporphyrin ix +B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O PPB 1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O PPC 1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O PPD 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PPE 4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium +C(=O)(O)P(=O)(O)O PPF phosphonoformic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O PPG (2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)C[C@H](N)P(=O)(O)O PPH [(1r)-1-amino-2-phenylethyl]phosphonic acid +CCC(=O)O PPI propanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O PPJ n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline +N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O PPK (diphosphono)aminophosphonic acid +CC(C)(C)NC(=O)[C@@H]1CCCCN1 PPL piperidine-2-carboxylic acid tert-butylamide +CP(=O)(O)O PPM phosphonomethyl group +c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] PPN para-nitrophenylalanine +c1nc2c(c(n1)O)N=NC2 PPO 3h-pyrazolo[4,3-d]pyrimidin-7-ol +c1ccc(cc1)C[C@@H](CO)O PPP 3-phenyl-1,2-propandiol +C[P@](=O)(CC[C@@H](C(=O)O)N)O PPQ phosphinothricin +C(C(=O)C(=O)O)P(=O)(O)O PPR phosphonopyruvate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N PPS 3'-phosphate-adenosine-5'-phosphate sulfate +Cc1ccc(cc1)CCC(=O)O PPT 3-(p-tolyl)propionic acid +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PPU puromycin-5'-monophosphate +OP(=O)(O)OP(=O)(O)O PPV pyrophosphate +c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N PPW 7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N PPX [phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine +c1ccc(cc1)CC(=O)C(=O)O PPY 3-phenylpyruvic acid +c1ccn2c(c1)nc3c2ncnc3NCCO PPZ 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol +c1c(c2c([nH]1)N=C(NC2=O)N)C#N PQ0 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN PQ1 phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O PQ2 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid +C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C PQ3 n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide +c1cc(ccc1/C=C(/C(=O)O)\N)O PQ4 (2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid +c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O PQ5 7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5 PQ7 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O PQ8 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid +CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C PQ9 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone +c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F PQA [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone +c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F PQB [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone +c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N PQC 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide +c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N PQD 7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine +CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO PQE 3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol +c1ccc(cc1)C2CCC(CC2)(C(=O)O)N PQG cis-1-amino-4-phenylcyclohexane-1-carboxylic acid +Cc1c(cc([nH]1)C(F)(F)F)C(=O)O PQH 2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid +CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C PQJ fos-choline-14 +Cc1cc(c(n1C2CC2)C)C(=O)O PQK 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cc(cnc1)c2ccc(cc2)C(=O)O PQM 4-(pyridin-3-yl)benzoic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C PQN phylloquinone +c1cc(ccc1C(=O)O)n2ccnc2 PQP 4-(1h-imidazol-1-yl)benzoic acid +c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O PQQ pyrroloquinoline quinone +CN(c1ccc(c(c1)O)O)N=O PQR 4-[methyl(nitroso)amino]benzene-1,2-diol +c1ccnc(c1)c2ccc(cc2)C(=O)O PQS 4-(pyridin-2-yl)benzoic acid +c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl PQT (3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid +C1CCCN(CC1)CCNC(=O)/C=N/O PQV (2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N PQW n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide +C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O PQY (2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] +Cc1cc(c(n1CC2CC2)C)C(=O)O PQZ 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +[Pr+3] PR praseodymium ion +C[C@H]([C@H](Cc1ccccc1)N)O PR0 3(s)-amino-4-phenyl-butan-2(r)-ol +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1 PR1 4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1 PR2 thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide +CCCSSC[C@@H](C=O)N PR3 s,s-propylthiocysteine +C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O PR4 1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PR5 purine riboside-5'-monophosphate +C(C(=O)O)C(=O)Cl PR6 3-chloro-3-oxopropanoic acid +C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O PR7 1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N PR8 5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine +C1C[C@@H](NC1)C(=O)N PR9 d-prolinamide +c1ccc(cc1)CCCN PRA 3-phenylpropylamine +C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O PRB 13-acetylphorbol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4 PRC n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide +C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N PRD n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine +C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O PRE prephenic acid +c1c(c2c([nH]1)N=C(NC2=O)N)CN PRF 7-deaza-7-aminomethyl-guanine +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O PRH 6-hydroxy-1,6-dihydro purine nucleoside +C1C[C@H](NC1)C=O PRI pyrrolidine-2-carbaldehyde +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O PRJ (2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid +CCC(=O)NCCCC[C@@H](C(=O)O)N PRK n~6~-propanoyl-l-lysine +c1cc(cc2c1cc3ccc(cc3n2)N)N PRL proflavin +CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PRM 3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium +c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O PRN purine 2'-deoxyribo-5'-monophosphate +C1C[C@H](NC1)C(=O)O PRO proline +C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 l-proline c-terminal deprotonated fragment +C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H l-proline c-terminal protonated fragment +C1C[C@H](NC1)C(=O)O PRO_LFOH l-proline free neutral +C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW l-proline free zwitterion +C1C[C@H]([N-]C1)[C-]=O PRO_LL l-proline - linking embedded +C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 l-proline n-terminal protonated fragment +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O PRP 1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose +c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-] PRQ (3s)-3-amino-3-(2-nitrophenyl)propanoic acid +C[n+]1cccc(c1)C[C@@H](C(=O)O)N PRR 3-(methyl-pyridinium)alanine +C1[C@H](NCS1)C(=O)O PRS thioproline +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O PRT phosphoribosyl atp +C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PRU (3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid +c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-] PRV (2r)-amino(2-nitrophenyl)ethanoic acid +C([C@H]([C@H](C(=O)O)O)O)N PRW (2r,3r)-4-amino-2,3-dihydroxybutanoic acid +CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PRX adenosine-5'-monophosphate-propyl ester +CCCc1ccccc1N PRY 2-propyl-aniline +CC(C)Cc1c(nccn1)OC PRZ 2-isobutyl-3-methoxypyrazine +C[C@@H]([C@H](Cc1ccccc1)N)O PS0 3(s)-amino-4-phenyl-butan-2(s)-ol +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC PS1 1,2-didecanoyl-sn-glycero-3-[phospho-l-serine] +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PS2 o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N PS4 n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide +[S-]SSS[S-] PS5 pentasulfide-sulfur +CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC PS6 o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine +CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C PS7 {(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl PS8 2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +S1SSSSSSS1 PS9 octathiocane +c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N PSA 3-hydroxy-4-amino-5-phenylpentanoic acid +c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO PSB 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC PSC (7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N PSD 5'-o-[n-(prolyl)-sulfamoyl]adenosine +C([C@H](COP(=O)(O)O)N)O PSE o-phosphoethanolamine +CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC PSF 1,2-dicaproyl-sn-phosphatidyl-l-serine +c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PSG 4-nitrophenyl 1-thio-beta-d-glucopyranoside +c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N PSH 1-thiophosphono-l-histidine +C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N PSI methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate +C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O PSJ d-psicose +CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O PSK [(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid +[O-]S(=O)(=O)OS(=O)(=O)[O-] PSL pyrosulfate +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N PSM n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide +c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O PSN benzyl 2-formylphenyl hydrogen phosphate +Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO PSO 4'-hydroxymethyl-4,5',8-trimethylpsoralen +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO PSP 1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime +C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O PSQ ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O PSR thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2 PSS (2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O PST thymidine-5'-thiophosphate +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PSU pseudouridine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O PSV alpha-d-psicofuranose +C([C@@H](C(=O)O)N)[Se]S PSW 3-(sulfanylselanyl)-l-alanine +CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O PSX [(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid +C=CS(=O)(=O)Oc1ccccc1 PSY phenyl ethenesulfonate +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O PSZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid +[Pt+2] PT platinum (ii) ion +CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O PT0 (r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O PT1 pteroic acid +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5 PT2 [ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+) +CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O PT3 n-propyl-tartramic acid +[Pt+4] PT4 platinum (iv) ion +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC PT5 [(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate +Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3 PT6 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one +c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl PT7 chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+) +C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2 PT9 [pt(h2bapbpy)] platinum +CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O PTA [(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid +CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2 PTB (5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O PTC 2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid +C(CC=O)CC=O PTD pentanedial +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S PTE tungstopterin cofactor +CSCc1ccccc1 PTF [(methylsulfanyl)methyl]benzene +CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O PTG (5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O PTH ce1-methylene-hydroxy-phosphotyrosine +c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O PTI 2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol +CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PTJ 5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine +c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O PTK pyrene-1,3,6,8-tetrasulfonic acid +CCCCC=O PTL pentanal +C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N PTM alpha-methyl-o-phosphotyrosine +[NH3][Pt+2]([NH3])[NH3] PTN platinum triamine ion +CN1[C@H]2CC[C@@H]1CC(C2)O PTO pseudotropine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O PTP thymidine-3',5'-diphosphate +c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O PTQ 2-phenylethyl 1-thio-beta-d-galactopyranoside +c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O PTR o-phosphotyrosine +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N PTS (4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O PTT tungstopterin +CCSC(=Nc1ccccc1)N PTU 2-ethyl-1-phenyl-isothiourea +c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3 PTV 2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone +C1N2CN3CN1CP(C2)C3 PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane +CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O PTX {[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid +CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PTY phosphatidylethanolamine +Cc1c(nc(s1)N)c2ccccc2 PTZ 5-methyl-4-phenyl-1,3-thiazol-2-amine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O PU puromycin-n-aminophosphonic acid +CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC PU0 9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N PU1 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine +COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC PU2 8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC PU3 9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC PU4 9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC PU5 9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4 PU6 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- +CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC PU7 9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC PU8 9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N PU9 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N PUA adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate] +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PUB phycourobilin +CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O PUC (5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O PUD 6-deoxy-l-psicose +c1ccc(cc1)N2CC[C@H](C2)C(=O)O PUE (3~{r})-1-phenylpyrrolidine-3-carboxylic acid +C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O PUF 6-deoxy-alpha-l-psicofuranose +C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O PUG 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O PUJ (1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N PUK n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC PUL (1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside +[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O PUM (1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol +CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C PUN 2,2,4,4,6,6,8-heptamethylnonane +C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O PUP (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate +c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O PUQ pelargonidin 3-o-beta-d-glucoside +c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O PUR purine riboside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O PUS (e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +C(CCN)CN PUT 1,4-diaminobutane +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4 PUV 2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C(CCNC(=O)CP(=O)(O)O)CN PUW n-(phosphonoacetyl)-putrescine +CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4 PUX 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PUY puromycin +COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC PUZ 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine +c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O PV0 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol +c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br PV1 (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone +c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV2 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol +CCCc1ccc(c(c1)O)Oc2ccccc2 PV4 2-phenoxy-5-propyl-phenol +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F PV5 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4 PV7 4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV8 4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol +CC(C)[C@H](N)P(=O)(O)O PVA 1-amino-2-methyl-propylphosphonic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O PVB purvalanol b +CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O PVC (2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid +c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O PVE (1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVG phycoviolobilin, green light-absorbing form +COC(=O)[C@H](Cc1c[nH]c[nH+]1)N PVH histidine-methyl-ester +C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5 PVJ 2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVK (s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione +CC(=O)C=O PVL pyruvoyl group +CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7 PVM 2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVN phycoviolobilin +CC(C(=O)O)(O)O PVO 2,2-bis(oxidanyl)propanoic acid +Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl PVP 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol +C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVQ (s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione +C=CS(=O)(=O)c1ccccc1 PVS (ethenylsulfonyl)benzene +c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F PVT 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one +C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3 PVV 2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide +COCCN1c2c([nH]cn2)C(=O)NC1=S PVW 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O PVX n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O PVY 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium +CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O PVZ [1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F PW1 [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium +COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O PW2 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +CC(=O)N1CCNC(=O)C1 PW3 4-acetyl-piperazin-2-one +Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O PW5 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid +c1cnc(nc1C(F)(F)F)N PW7 4-(trifluoromethyl)pyrimidin-2-amine +c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O PW8 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid +c1cc2c(cc1F)N=CNC2=O PWA 7-fluoroquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+] PWB 3',3'-c-[2'fdamp-2'fdam(ps)] +c1c[nH]c2c1cc(cn2)F PWD 5-fluoro-1h-pyrrolo[2,3-b]pyridine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O PWE (2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate +COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 PWF 2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F PWG 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine +CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C PWH 3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F PWJ 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile +C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O PWK 4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol) +c1cc2c(c(c1)F)C(=O)NC=N2 PWM 5-fluoroquinazolin-4(3h)-one +c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O PWN 2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid +c1cc2c(cc1F)C(=O)NC=N2 PWP 6-fluoroquinazolin-4(3h)-one +c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O PWQ 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid +CN1C(=O)C=C(N=C1SC)C(F)(F)F PWS 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one +c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O PWT 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid +Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3 PWU isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N PWV 5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile +c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O PWW 4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid +COc1ccc2cc(ccc2c1)CC(=O)O PWY (6-methoxynaphthalen-2-yl)acetic acid +CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O PWZ (5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid +[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O PX1 (1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC PX2 1,2-dilauroyl-sn-glycero-3-phosphate +COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 PX3 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC PX4 1,2-dimyristoyl-sn-glycero-3-phosphocholine +c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O PX5 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC PX6 1,2-dipalmitoyl-sn-glycero-3-phosphate +CN1c2ccccc2S(=O)(=O)NC1=O PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC PX8 1,2-distearoyl-sn-glycero-3-phosphate +CCCCOc1ccc(cc1)OCCCN2CCOCC2 PX9 pramocaine +Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXA 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine +CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C PXB parecoxib +c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O PXC phenazine-1,6-dicarboxylic acid +COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC PXD 2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide +CC1=CC(=O)C(=CC1=NO)C(C)C PXE 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime +Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F PXF 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O PXG 3-[o-phosphonopyridoxyl]--amino-benzoic acid +CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C PXH (2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid +CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C PXI 4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O PXJ n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide) +CC(C)(C)C#CCc1c[nH]c2c1scn2 PXK 6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole +Cc1c(c(c(cn1)CO)C=O)O PXL 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde +Cc1c(c(c(cn1)CO)CN)O PXM 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol +C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O PXN (2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol +CC\C=N/O PXO (1z)-propanal oxime +Cc1c(c(c(cn1)COP(=O)(O)O)CO)O PXP pyridoxine-5'-phosphate +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PXQ 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC PXS (2s)-propane-1,2-diyl dihexadecanoate +C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C PXT pectenotoxin-2 +C1C[C@](NC1)(C(=O)O)O PXU 2-hydroxy-l-proline +CC(=O)Nc1cc2cccnc2c3c1cccn3 PXX n-1,10-phenanthrolin-5-ylacetamide +Cc1ccc(cc1)C PXY para-xylene +Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXZ 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one +C[C@@H]([C@@](N)(O)[O-])O PY0 (1s,2s)-1-amino-1,2-dihydroxypropan-1-olate +c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4 PY1 4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline +c1cc(cnc1)CS PY2 3-(mercaptomethylene)pyridine +CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C PY3 5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide +CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY4 2-[o-phosphonopyridoxyl]-amino- butyric acid +CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY5 2-[o-phosphonopyridoxyl]-amino-pentanoic acid +CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY6 2-[o-phosphonopyridoxyl]-amino-hexanoic acid +c1cnccc1CO PY7 pyridin-4-ylmethanol +c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br PY8 6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide +Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O PY9 4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N PYA 3-(1,10-phenanthrol-2-yl)-l-alanine +Cn1cc(cc1C(=O)O)N PYB 4-amino-(1-methylpyrrole)-2-carboxylic acid +c1cc([nH]c1)C(=O)[O-] PYC pyrrole-2-carboxylate +Cc1cnc(nc1N)C PYD 2,5-dimethyl-pyrimidin-4-ylamine +C1CCOCC1 PYE tetrahydropyran +c1cc(cnc1)CO PYF 3-pyridinylcarbinol +c1cc(c(c(c1)O)O)O PYG benzene-1,2,3-triol +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYH n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O PYI 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium +CCc1ccccc1 PYJ phenylethane +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYL pyrrolysine +CC(=O)C(=O)N PYM pyruvamide +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5 PYN 3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYO 1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate +c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O PYP 2'-deoxyribofuranosylpyrene-5'-monophosphate +c1cc2c3c(c1)CCN3C(=O)CC2 PYQ pyroquilon +CC(=O)C(=O)O PYR pyruvic acid +c1ccnc(c1)S PYS 2-pyridinethiol +C=C(C(=O)N)N PYT 2-aminoprop-2-enamide +c1ccn(c1)C(=O)c2c(cc(cc2O)O)O PYU 2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 PYV 4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C PYW pyridomycin +Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O PYX s-[s-thiopyridoxaminyl]cysteine +c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYY d-ribofuranosyl-benzene-5'-monophosphate +c1c(cn[nH]1)I PYZ 4-iodopyrazole +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4 PZ1 (6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one +Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N PZ2 3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7 PZ3 4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F PZ4 5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine +C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PZ5 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine +Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O PZ8 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cnc(cn1)C(=O)N PZA pyrazine-2-carboxamide +c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O PZB 4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol +CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO PZC (2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide +COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4 PZD (11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1CNCCN1 PZE piperazine +COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F PZF (3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O PZG [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid +c1cc(ccc1CN)Br PZH 1-(4-bromophenyl)methanamine +C1CC(=O)N(C1)CC(=O)N PZI 2-(2-oxopyrrolidin-1-yl)acetamide +c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl PZJ (3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N PZK 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br PZL 3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile +COc1ccc(cc1)CN PZM 1-(4-methoxyphenyl)methanamine +CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C PZN 3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion +c1c[nH]nc1 PZO pyrazole +[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O PZP [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4 PZQ praziquantel +c1cncc2c1[nH]nc2 PZR 1h-pyrazolo[4,3-c]pyridine +CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C PZS (5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione +C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O PZU alpha-d-paratopyranose +CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F PZV 1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide +Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C PZW (1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(n[nH]1)C(=O)OCc2cccnc2 PZX pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate +CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4 PZY 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CN(C)Cc1c[nH]c2c1cccc2CCCO PZZ 3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol +c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N Q00 n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine +CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4 Q01 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid +c1ccc(cc1)[C@H](N)P(=O)(O)O Q02 [(r)-amino(phenyl)methyl]phosphonic acid +C1CCC(CC1)[C@H](N)P(=O)(O)O Q03 [(r)-amino(cyclohexyl)methyl]phosphonic acid +C1CCC(CC1)C[C@H](N)P(=O)(O)O Q04 [(1r)-1-amino-2-cyclohexylethyl]phosphonic acid +Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F Q05 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine +C1CCC(C1)CC[C@H](N)P(=O)(O)O Q06 [(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid +CCC[C@H](C)[C@H](N)P(=O)(O)O Q07 [(1r,2s)-1-amino-2-methylpentyl]phosphonic acid +CCCC(CCC)[C@H](N)P(=O)(O)O Q08 [(1r)-1-amino-2-propylpentyl]phosphonic acid +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F Q0A 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl Q0B 2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 Q0D 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid +c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N Q0E 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4 Q0G 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F Q0H 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4 Q0J 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine +Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N Q0K 2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N Q0M 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide +c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N Q0N 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O Q0P (2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid +C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N Q0Q 4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br Q0S 5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide +CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N Q0T ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate +CCn1cc(cn1)c2c(c(ncn2)N)C#N Q0W 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br Q0Y 5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl Q0Z 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN Q10 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine +COc1ccccc1c2ccc3c(c2)nc(nc3N)N Q11 7-(2-methoxyphenyl)quinazoline-2,4-diamine +Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N Q12 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine +Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N Q13 6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C Q14 6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3 Q15 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C Q16 6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine +c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN Q17 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol +c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O Q18 (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one +Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N Q19 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N Q1A 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea +c1cc2c(cc1OC(F)(F)F)CC(=O)N2 Q1B 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O Q1D {4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1E ~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide +c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O Q1G 5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide +c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F Q1H 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br Q1J 5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide +CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1K 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine +COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br Q1M 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid +[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C Q1N (2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide +c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O Q1P 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid +c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N Q1Q (6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine +CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-] Q1S n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N Q1T 3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile +c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N Q1V 2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium +CC(C)(CC(=O)C(=O)O)C(=O)O Q1W 2,2-dimethyl-4-oxidanylidene-pentanedioic acid +c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6 Q1Y 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide +C[C@H](CC(=O)O)C(=O)C(=O)O Q1Z (3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O Q20 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5 Q21 (2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide +c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N Q22 (4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol +c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2 Q23 (3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate +c1ccc2c(c1)c(nc(n2)N)N Q24 quinazoline-2,4-diamine +CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q25 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C Q26 n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide +CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N Q27 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine +Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 Q28 4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2A 3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2D 3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N Q2E (2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal +CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C Q2H ~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide +c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5 Q2J 3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid +c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2M 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F Q2N 2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2P 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +COC(=O)c1ccccc1c2cccc(c2)C(=O)O Q2R 3-(2-methoxycarbonylphenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3 Q2S 3-(1~{h}-indol-5-yl)benzoic acid +CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5 Q2T 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline +c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6 Q2V 5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine +CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 Q2Y 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N Q2Z carborane ethyl-sulfonamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3 Q31 5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl Q34 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC Q35 2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N Q38 carborane nido-pentyl-sulfonamide +Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3 Q39 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide +Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F Q3A 8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N Q3B 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea +c1ccc2c(c1)cc(cn2)C(=O)O Q3C quinoline-3-carboxylic acid +CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6 Q3D 8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N Q3E carborane propyl-sulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC Q3G o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine +B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N Q3H carborane nido-hexyl-sulfonamide +[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F Q3J 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N Q3K carborane closo-hexyl-sulfonamide +CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC Q3M methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N Q3N carborane closo-pentyl-sulfonamide +C(CCNC(=O)CN)C[C@@H](C(=O)O)N Q3P n~6~-glycyl-l-lysine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N Q3Q carborane closo-butyl-sulfonamide +C[C@@H]([C@H](C(=O)O)N)N Q3S (2r,3s)-2,3-diaminobutanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N Q3T carborane methyl-sulfonamide +B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N Q3W carborane nido-butyl-sulfonamide +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5 Q3Y (3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid +Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F Q41 7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one +C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O Q42 (2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid +CC(=O)NC1=NC(=O)c2c([nH]cn2)N1 Q44 n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide +S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25 Q46 fe4 h s5 +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O Q47 3-bromo dicyclotyrosine +C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC Q4A n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N Q4B carborane nido-pentyl-sulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F Q4D (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q4E 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one +c1cc(cc(c1)C(=O)O)c2cccc(c2)F Q4G 3-(3-fluorophenyl)benzoic acid +c1c(c(ncn1)N)C#N Q4H 4-azanylpyrimidine-5-carbonitrile +CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C Q4J pralsetinib +CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F Q4K ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate +COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl Q4M [(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone +c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl Q4P [(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C Q4Q n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC Q4S (4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4 Q4T 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O Q4V (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid +CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl Q4W 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O Q4Y (4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O Q4Z [(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N Q50 {(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester +C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O Q51 (4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl Q52 ~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q54 (3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid +C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO Q55 4s/3694 +c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q57 (2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid +C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO Q58 desf-3r/4076 +Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F Q5A n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O Q5B (3s)-citryl-coenzyme a +c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N Q5D 4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide +C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl Q5F n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide +c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O Q5G 3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN Q5J 4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +c1ccc2c(c1)cccc2C(=O)CCC(=O)O Q5M 4-(naphthalen-1-yl)-4-oxobutanoic acid +CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O Q5N bcv-l6 +Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O Q5Q 3,6-dibromo-1-(hydroxymethyl)carbazole +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C Q5S 2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose +CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2 Q5T (4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC Q5V n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine +C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC Q5W methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC Q5Y n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4 Q5Z 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N Q61 guanosine-5'-monophosphate-2',3'-vanadate +C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O Q62 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide +CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q64 (2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide +B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F Q65 (1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl Q67 n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide +CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O Q68 ~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide +CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6A (2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide +C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C Q6B [(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate +CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6D (2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide +CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C Q6E (1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl Q6F n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide +CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O Q6G selpercatinib +c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3 Q6H 5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 Q6J 5alpha-dihydronandrolone +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C Q6K ~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide +CC(CCCCCNCCCN)(O)O Q6M 7-[(3-aminopropyl)amino]heptane-2,2-diol +CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C Q6N 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +COCC(CCCCCNCCCN)(O)O Q6P 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol +COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC Q6Q 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C Q6S n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide +c1cc(c2c(c1)OCO2)C(=O)O Q6T 1,3-benzodioxole-4-carboxylic acid +c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 Q6W 3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide +Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C Q6Y ~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide +C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z (1r,2r,3s)-3-methylcyclohexane-1,2-diol +c1cc2c(cc1F)S(=O)(=O)NC(=O)N2 Q71 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N Q72 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F Q74 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid +c1c(scn1)C[C@@H](C=O)N Q75 2-amino-3-(thiazol-5-yl)propanoic acid +Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C Q77 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +c1cscc1C[C@@H](C(=O)O)N Q78 l-3-thienylalanine +c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O Q7A 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O Q7B (1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 Q7G 2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside +CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C Q7H 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O Q7J 1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q7K 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N Q7M 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +COc1cccc(c1)CNC(=O)c2ccccc2[SeH] Q7N ~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO Q7P 6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC Q7Q 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO Q7S 6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q7T ~{n}-(phenylmethyl)-2-selanyl-benzamide +Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl Q7U 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea +[B+](CCCCCNCCCN)(O)(O)O Q7V 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH] Q7W ~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide +C(CCC(=O)CS)CCNCCCN Q7Y 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one +CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C Q7Z 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl Q80 2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O Q81 1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O Q82 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide} +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O Q84 1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +COc1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q85 ~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide +c1ccc(cc1)CCC(=O)Cn2cncn2 Q86 4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O Q87 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1nc(c2c(n1)[nH]c(n2)N)N Q88 9h-purine-6,8-diamine +c1cc2cccnc2c(c1)N Q8A quinolin-8-amine +CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q8B n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide +c1cc2c(cc1C(=O)O)nnn2C3CCCCC3 Q8D 1-cyclohexyl-1h-benzotriazole-5-carboxylic acid +COc1ccc(cn1)CNC(=O)c2ccccc2[SeH] Q8E ~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide +c1cc2c(cc1C(=O)O)ncn2C3CCCCC3 Q8G 1-cyclohexyl-1h-benzimidazole-5-carboxylic acid +c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH] Q8H ~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide +CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5 Q8J 4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide +c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5 Q8K 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br Q8M 5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8P 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide +CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1 Q8Q 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8S 5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C Q8T 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N Q8V ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate +c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5 Q8W 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3 Q92 3-quinolin-6-ylbenzoic acid +CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C Q94 n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O Q97 4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol +c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3 Q98 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C Q9A n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3 Q9B 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)NCCCCNCCCN Q9C n-{4-[(3-aminopropyl)amino]butyl}acetamide +CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2 Q9D benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C Q9E (5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F Q9G 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine +c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N Q9H (2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2 Q9J (5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N Q9K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 Q9M 2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N Q9N ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide +c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl Q9P azolopyrimidine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O Q9Q 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside +C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N Q9S 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine +c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br Q9T 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol +CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C Q9V n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide +CC(C)CCn1c(c(nn1)O)C(=O)NC Q9Y ~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide +CC(C)CCN1CC(=O)N=N1 Q9Z 3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C QA1 danazol +C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5 QA4 2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QA7 5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine +CC[C@H](CC(=O)O)C(=O)C(=O)O QA8 (3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid +c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5 QAA 2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide +C1CCc2c(c(c(s2)N)C(=O)O)C1 QAB 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +c1cc(ccc1CO)C(=O)NCCC(=O)O QAC n-[4-(hydroxymethyl)benzoyl]-beta-alanine +COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O QAD 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl QAE 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] QAF {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N QAG 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile +[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O QAH [(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate +c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5 QAJ 2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide +C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O QAK (6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol +c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N QAM n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5 QAN (3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide +c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O QAP 2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O QAQ [(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile +Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N QAR 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine +c1cc(nc(c1C(=O)O)C(=O)O)S QAS 6-mercaptopyridine-2,3-dicarboxylic acid +C1C(=S)C=NC(=C1C(=O)O)C(=O)O QAT 5-mercaptopyridine-2,3-dicarboxylic acid +COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QAV 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN QAY 8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4 QAZ (3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide +COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O QB1 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F QB4 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 QB5 n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide +COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O QB7 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 QB8 ~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide +COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O QBA 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) +c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F QBB 4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide +COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O QBD 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 QBE ~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide +COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O QBG 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C QBH (4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one +COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QBJ 4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid +C12=NC(=O)SC1=NC(=NC2=O)N QBK 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione +CCCSc1nc(c(nn1)C)O QBM 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 QBN 2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine +c1cc(ccc1c2[nH]nnn2)C(F)(F)F QBP 5-[4-(trifluoromethyl)phenyl]-1h-tetrazole +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O QBQ 7-deaza-gtp +CC(=O)[C@@H](C#N)c1ccc(cc1)Cl QBS (2r)-2-(4-chlorophenyl)-3-oxobutanenitrile +C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O QBT [(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(cc1/C=C/C(=O)O)Br)O QBV (2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid +c1ccc(cc1)CNCCc2ccc(c(c2)O)O QBW 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol +CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4 QBY 6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl) +C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O QBZ (2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5 QC0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide +c1cc(ccc1CNc2cnccc2C(=O)O)F QC1 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid +c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O QC2 2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O QC4 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F QC5 2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine +C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C QC7 (5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one +CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5 QC8 (2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O QCA {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O QCB (2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O QCD {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid +CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O QCE n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine +Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C QCG (2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O QCH (2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O QCK (4-methyltriazole)-thymidine-5'-monophosphate +CCC(CC)COc1cc(nc2c1cccc2N)C=O QCL 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde +CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO QCM givinostat +CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N QCN (2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal +CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO QCP ar-42 +c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F QCQ [[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C([C@@H](C(=O)O)N)SC(=O)N QCS s-carbamoyl-l-cysteine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +C=Nc1ccc(cc1)N(=O)=O QCV n-(4-nitrophenyl)methanimine +CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2 QCW ~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide +C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O QCY 2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) +CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3 QCZ ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O QD0 (2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C QD2 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4 QD5 ~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide +CP(=O)(CCCN)O QD7 (r)-(3-aminopropyl)methylphosphinic acid +CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 QDA n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine +c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O QDD 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid +CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C QDE ~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide +CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl QDG 4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one +C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl QDH [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5 QDJ tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +C([C@@H]([C@@H](C(=O)CO)O)O)O QDK l-ribulose +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O QDM tdp-3,6-dideoxy-3-n,n-dimethylglucose +COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QDN quinidine +c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-] QDO 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5 QDP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O QDQ ~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N QDR 2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O QDS n-(quinoxalin-2-ylcarbonyl)-d-serine +CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC QDT 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDV tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 QDW methoxymethyloxathiatetraazatetracyclodocosahexaenedione +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDY tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C QDZ ~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine +c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3 QE2 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QE4 tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F QE5 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO QE8 (1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QEA tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +O12[Re]3O4[Re]1O5[Re]2O3[Re]45 QEB [re4(mu3-oh)4(co)12] +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O QED n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) +CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O QEE ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N QEG n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O QEH (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O QEI 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C1C[C@H](NC1)C#N QEJ (2s)-pyrrolidine-2-carbonitrile +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3 QEK 2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid +C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 QEL 4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol +C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O QEM 4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br QEN 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4 QEP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4 QEQ 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 QES tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F QET [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone +Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C QEV methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl QEY methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2 QEZ 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br QF1 5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide +COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4 QF2 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N QF4 benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5 QF8 ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC QFB 7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O QFD (3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N QFE (3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine +[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O QFG {(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@@H]([C@@](C)(C(=O)O)O)O QFH (2s,3s)-2,3-dihydroxy-2-methylbutanoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC QFI ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid +CCC(=O)SCC[N+](C)(C)C QFJ propionylthiocholine +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC QFK 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1ccc(c(c1)CSC2=NCCN2)Cl QFM 2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole +Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C QFN (4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +B(c1ccccc1)(O)OCCO QFP 2-hydroxyethyl hydrogen phenylboronate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5 QFQ ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +B(c1cccc(c1)OC)(O)OCCO QFS 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate +c1cc(c(cc1N(=O)=O)O)F QFT 2-fluoranyl-5-nitro-phenol +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl QFV 2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide +CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O QFW 2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QFY {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +c1(c(c(c(c(c1F)F)F)F)F)O QFZ 2,3,4,5,6-pentakis(fluoranyl)phenol +c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 QG1 {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+) +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O QG2 (2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QG4 {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+) +c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4 QG7 n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC QG8 methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC QG9 methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O QGA 1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol +C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N QGB 5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine +CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC QGD o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine +CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F QGF n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N QGG 1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline +C[C@@H]1c2c(c3ccccc3[nH]2)CCN1 QGH (1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O QGJ 1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide +C[C@H]1c2c(c3ccccc3[nH]2)CCN1 QGK (1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O QGM (2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid +Cc1c(nnc2c1c(n[nH]2)N)C QGN 4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine +c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N QGP (2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid +Cc1cc(ncn1)SCc2c(noc2C)C QGQ 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole +CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N QGS 1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid +Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O QGV (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone +CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QGZ 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F QH1 n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O QH2 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl QH3 3,4-dichlorobenzyl carbamimidothioate +CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 QH4 {(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 QH5 ~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide +CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QH8 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC QHA (3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +COc1cccc2c1[nH]nn2 QHB 7-methoxy-1~{h}-benzotriazole +CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl QHC n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O QHD (2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid +CCc1nnc2n1c(cs2)c3ccccc3 QHE 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole +Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O QHF n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O QHG (e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 QHH 1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O QHJ (r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHK 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N QHL delta-[ru(tap2-dppz-cn]2+ +CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO QHM hycanthone +c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3 QHN 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O QHP (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHQ 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O QHS (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHT 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O QHV (r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHW 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O QHY 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5 QHZ 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl QI1 4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide +Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO QI2 (2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide +c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl QI3 (4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide +COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QI9 quinine +C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O QIC (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O QID 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O QIF 1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5 QIG n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine +CC[C@H](C)[C@@H](C(=O)O)NC=O QIL n-formyl-l-isoleucine +CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N QIN n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide +CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O QIU 3-[3-(2-acetamidoethyl)phenyl]benzoic acid +CC(=O)Nc1nc2cc(ccc2s1)O QIV n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO QIX n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide +COC(=O)N1CC[C@H](SCC1)c2cccs2 QJ1 methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C QJ2 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C QJ4 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine) +CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QJ5 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F QJ7 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C QJ8 6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5 QJ9 1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CC[C@H](SC=C1)c2cccs2 QJA 1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one +C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O QJB 2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide +C(CO)COCCOCCOCCOCCOCCOCCN QJE 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol +c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N QJJ n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJM n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO QJN (1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJP (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F QJS 5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid +CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O QJT 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one +CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N QJV (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide +c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O QJW (2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QJY (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC QJZ n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F QK0 n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QK1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4 QK2 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one +Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5 QK5 (3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile +C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QK7 (4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C QK8 ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QKA (1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +CCOC(=O)N1CC[C@H](SCC1)c2cccs2 QKD ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N QKE (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC QKG 4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide +COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O QKH methyl-cyclo-hepta-amylose +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O QKJ 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F QKK 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid +C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O QKM 4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile +Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3 QKP 2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one +COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4 QKQ ~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide +c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3 QKT diperodon (s-enantiomer) +c1cc(cc(c1)c2cccc(c2)C(=O)O)CO QKU 3-[3-(hydroxymethyl)phenyl]benzoic acid +c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO QKV (6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol +c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl QKW (4-chlorophenyl)methyl pyridine-3-carboxylate +CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3 QKY (5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one +c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl QKZ 2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide +CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4 QL1 (5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N QL2 6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O QL4 (4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid +Cc1ccc(c(c1)OC(=O)c2ccncc2)C QL5 (2,5-dimethylphenyl) pyridine-4-carboxylate +CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O QL7 n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O QL8 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F QLA 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione +CCCCCCCCOCCOCCOCCO QLB 2-[2-(2-octoxyethoxy)ethoxy]ethanol +CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLD ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C QLE [(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate +[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O QLG [(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F QLH 5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O QLI (5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid +CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLJ ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate +COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLM methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate +C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O QLN 3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O QLP n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine +Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7 QLQ ~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide +CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC QLR 6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F QLS methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate +CC[Sn](CC)(CC)Br QLT triethyltin bromide +COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F QLV n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3 QLW n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine +CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC QLZ 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine +c1cc(c(nc1)C(=O)O)CC(=O)O QM1 3-(carboxymethyl)pyridine-2-carboxylic acid +c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4 QM2 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O QM4 (2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid +COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O QM5 (2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid +C(CCS)C[C@@H](C(=O)O)N QM8 6-sulfanyl-l-norleucine +COc1ccc2c(c1)ccc(c2C=O)O QMA 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde +C(C[C@@H](C(=O)O)N)CS QMB 5-mercapto-norvaline +C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O QMD 2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid +c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3 QME 2-[(2~{r})-piperidin-2-yl]-1~{h}-indole +Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 QMG 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O QMH (2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl QMI 4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O QMK ~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide +CN(C)C(=O)CC[C@@H](C(=O)O)N QMM n,n-dimethyl-l-glutamine +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5 QMN ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +CP(=O)(O)OC1CCCCC1 QMP cyclohexyl methylphosphonate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N QMQ 1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium +c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4 QMR varenicline +CS(=O)(=O)Nc1cccc2c1nccc2 QMS n-(quinolin-8-yl)methanesulfonamide +c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O QMT 2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol +c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F QMV 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O QMW 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol +Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3 QMY 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine +COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4 QMZ [(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone +c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F QN1 4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide +c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5 QN2 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide] +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl QN3 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide) +Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl QN4 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide +Cc1c(c2ccccc2[nH]1)CC(=O)O QN5 2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid +COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5 QN7 (8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@H]1C(=O)C2CCN1CC2 QN8 (2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O QNA (1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O QNB (3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate +c1ccc2c(c1)ccc(n2)C(=O)O QNC quinoline-2-carboxylic acid +c1ccc2c(c1)ccc(n2)C(=O)O QND quinaldic acid +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF QNE ~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine +CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C QNG n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide +CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5 QNH 6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine +c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4 QNI 6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C QNJ (3beta,5beta,14beta,17alpha)-cholestan-3-ol +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF QNK 6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine +CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O QNL ~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide +CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O QNM 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid +C[C@H]1C(=O)C2CCN1CC2 QNN (2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O QNO 2-nonyl-4-hydroxyquinoline n-oxide +CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O QNP (2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate +Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O QNQ 4-methylcatechol cysteine +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4 QNS n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide +Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N QNT 3,6-dimethylcatechol cysteine +Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N QNW 3-methylcatechol cysteine +C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O QNY o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine +c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O QNZ (e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid +CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O QO1 4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid +Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O QO2 4,5-dimethylcatechol cysteine +C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F QO4 5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one +Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C QO5 3,5-dimethylcatechol cysteine +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO QO7 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N QO8 3,4-dimethylcatechol cysteine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C QO9 1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O QOA n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O QOB ~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O QOD (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O QOE (2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide +CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N QOG 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O QOH 11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide +c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N QOJ 4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C QOK 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione +c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO QOL 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5 QOM trametinib +C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl QOP 6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide +Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F QOQ 5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine +CC1=CNC(=O)C(=N1)C QOS 3,5-dimethylpyrazin-2(1h)-one +Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl QOV 5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl QOY 5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N QOZ 2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC QP1 n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O QP2 (4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5 QP4 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine +c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F QP7 3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol +CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O QP8 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate +C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N QPA s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine +C/C(=C/c1ccc(cc1)O)/C(=O)OC QPB methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate +CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N QPC 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide +c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3 QPD (2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide +C/C(=C/c1ccccc1)/C(=O)OC QPE methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate +c1ccc(cc1)C[C@@H](C(=O)O)NC=O QPH n-formyl-l-phenylalanine +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O QPJ 2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol +c1cc(c(c(c1F)O)F)Cl QPK 3-chloranyl-2,6-bis(fluoranyl)phenol +CC1(CC(CC(N1[O-])(C)C)N)C QPM 4-amino-2,2,6,6-tetramethylpiperidin-1-ol +CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1 QPN 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one +Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4 QPP n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine +CC(=O)c1cn(c2c1cccc2)C QPR 1-(1-methylindol-3-yl)ethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO QPS beta-acarbose +C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+] QPT carboplatin +CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O QPU 1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol +CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl QPV 3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide +CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QPW 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N QPY benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate +CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C QPZ 1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide +c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N QQ1 2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine +Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl QQ2 [(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile +CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C QQ3 (3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O QQ4 hexa vinylpyrrolidone k15 +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QQ5 [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O QQ7 cucurbit[7]uril +C(CC(=O)N)[C@@H](CNC=O)N QQ8 (4~{s})-4-azanyl-5-formamido-pentanamide +CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-] QQA 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one +c1ccc2c(c1)cccc2C[C@@H](CNC=O)N QQB ~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide +CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C QQD 4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQE [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4 QQG n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide +Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O QQH [(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC QQJ n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO QQK [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC QQM n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl QQN [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F QQP n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +CC(C)n1c2ccccc2nc1S(=O)(=O)O QQQ 1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl QQT [2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 QQV (1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide +C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQW [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N QQX [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N QQY [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O QQZ phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid +[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O QR1 {3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) +c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl QR2 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one +[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O QR4 {3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) +C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C QR8 (3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione +[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O QRA 3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO QRB 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide +c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O QRE 2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O QRG n-acetyl-l-alpha-aspartyl-l-methionine +c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5 QRH (2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide +[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O QRJ {3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) +CCCCCC(=O)SC QRL s-methyl hexanethioate +C1CC(=CC(=C1)N)C(=O)O QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid +COc1ccc(cc1O)CCc2nc3ccccc3s2 QRN 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol +c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F QRO 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 QRP (3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione +COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2 QRQ 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N QRT [(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO QRV 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium +Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F QRW 3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide +CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F QRX n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N QRY 4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N QRZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N QS1 (2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C QS2 9-cis-okenone +Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C QS4 1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one +Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC QS5 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide +CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl QS7 n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F QS8 [[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QSA ~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide +c1cc(c(cc1C(=O)O)Br)O QSB 3 bromo 4 hydroxybenzoic acid +C[C@H](c1ccccc1)N QSC (1r)-1-phenylethanamine +Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N QSD (2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C QSE all-trans okenone +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O QSG (2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name) +c1c(cc(c(c1Br)O)Br)C(=O)O QSH 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N QSI 5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine +Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O QSJ (3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F QSK [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid +CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4 QSM 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole +CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3 QSN n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide +COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O QSO 5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one +Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O QSP (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N QSQ [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O QSR (9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate +CN1CCN(CC1)c2ccccc2N QSS 2-(4-methylpiperazin-1-yl)aniline +CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS QST (2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC QSV (2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide) +c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3 QSW (4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4 QSY n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium +c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3 QSZ (4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS QT2 (2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F QT4 ~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide +Cc1nccn1c2cccc(c2)CN QT5 [3-(2-methylimidazol-1-yl)phenyl]methanamine +CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl QT7 2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide +CCC(=O)CC(=O)O QT8 3-oxidanylidenepentanoic acid +c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N QTA 3-(phenylsulfonyl)benzene-1-sulfonamide +C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C QTB (3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N QTD 4-phenoxybenzene-1-sulfonamide +CC1CCCCC1 QTE methylcyclohexane +CCCNS(=O)(=O)c1ccc(cc1C)F QTG 4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide +c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4 QTH 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine +c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N QTJ 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3 QTK 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium +c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F QTM 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O QTP 3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine +C1[C@@H]([C@H](CS1(=O)=O)O)O QTQ (3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol +O QTR oxygen of quinone +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N QTS 1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine +Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O QTT 2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid +c1cc(sc1)CCC(=O)O QTU 3-(thiophen-2-yl)propanoic acid +Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-] QTV 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N QTW [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O QTY n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide +CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O QTZ mycinamicin ii +CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC QU2 mycinamicin i +c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O QU4 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid) +COC1C=CC(C=C1)S QU5 4-methoxycyclohexa-2,5-diene-1-thione +CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 QU7 (1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +COc1ccc(cc1)NC=O QU8 ~{n}-(4-methoxyphenyl)methanamide +C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O QUA 8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid +C=CCO/N=C/c1ccnc2c1cccc2 QUB (e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine +c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5 QUD 2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O QUE 3,5,7,3',4'-pentahydroxyflavone +c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O QUG 2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O QUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)ncc(n2)C(=O)O QUI 2-carboxyquinoxaline +CC(C)COc1cc(nc2c1cccc2N)C(=O)O QUJ 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN QUK 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid +CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4 QUL n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine +C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl QUM quinacrine mustard +CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl QUN quinacrine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O QUO 2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate +Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl QUP 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 QUS (s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUV n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N QUW 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUX n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUY (2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide +c1ccc2c(c1)cncn2 QUZ quinazoline +c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O QV2 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO QV4 4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4 QV5 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C QV6 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O QV7 3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid +c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O QV8 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid +C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O QVA (2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid +CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl QVB 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O QVE 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QVK 5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C QVM (2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal +c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O QVN 3-(3-phenylpropyl)-2-oxoglutarate +C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O QVQ 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid +C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QVR (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol +c1cc2c(cc(nc2c(c1)N)C(=O)O)O QVS 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid +CC[C@@H](CC(=O)C(=O)O)C(=O)O QVT 4-ethyl-2-oxoglutarate +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4 QVV benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCC[C@@H](CC(=O)O)C(=O)C(=O)O QVW 3-propyl-2-oxoglutarate +c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O QVY 1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol +CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C QVZ 3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate +CCC[C@@H](CC(=O)C(=O)O)C(=O)O QW2 (4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid +CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QW4 2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium +COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QW5 5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide +C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5 QW7 1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole +Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC QW9 [2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc2c(c1)c(c[nH]2)Cn3ccnc3 QWB 3-(imidazol-1-ylmethyl)-1~{h}-indole +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4 QWE amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O QWG (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name) +CCC(=O)Nc1cc(nc(c1Br)C)C QWH ~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide +c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4 QWI 6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O QWJ 6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside +CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3 QWK ~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide +C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F QWM n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine +c1c2c(nc(c1Br)Cl)nn[nH]2 QWN 6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O QWP mithramycin +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4 QWQ 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N QWS 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C QWT 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O QWV n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c12c(c(c(nc1nn[nH]2)Br)Br)Br QWW 5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N QWY 3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C QWZ 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +c1ccc2c(c1)ncc(n2)C(=O)O QX quinoxaline-2-carboxylic acid +CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5 QX1 3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine +c1[nH]c2c(c(c(nc2n1)Br)Br)Br QX2 5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine +Cc1ccc2c(c1)C(=CC(=O)O2)O QX4 4-hydroxy-6-methyl-2h-1-benzopyran-2-one +Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F QX7 n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine +c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br QX8 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one +C1CCS(=O)(=O)C1 QXB sulfolane +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O QXD 5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +C1CS(=O)(=O)C[C@@H]1O QXE 3-hydroxythietane-1,1-dioxide +c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O QXG 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br QXH ~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4 QXK 2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide +[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-] QXM (5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C QXN 2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide +c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N QXP 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4 QXQ ~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide +CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC QXT 1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione +CSCC[C@H](C(=O)N)N QXV d-methioninamide +c1c2c(nc(c1Br)Br)nn[nH]2 QXW 5,6-dibromo-1h-triazolo[4,5-b]pyridine +CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C QXY {4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O QY1 (2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4 QY4 n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide +CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C QY5 ~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide +CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C QY7 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1c[nH]c2c1C(=O)NC(=N2)N QY8 2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)Oc1ccccc1 QY9 phenyl acetate +c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N QYA 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide +c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O QYB 3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-] QYD n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide +c1csc2c1c(ncc2Cl)N QYE 7-chlorothieno[3,2-c]pyridin-4-amine +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O QYG {(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1)c2cc(nc(n2)N)N QYH 6-(4-methoxyphenyl)pyrimidine-2,4-diamine +Cn1c2c(c(c1Br)C#N)c(ncn2)N QYK 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C QYM (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol +C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC QYQ ~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F QYS (1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2 QYT (5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C QYV 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N QYW 4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C QYY 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O QYZ (3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one +CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F QZ1 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid +Cn1cc(cn1)c2cc([nH]n2)C(=O)O QZ2 3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid +CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C QZ3 n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide +C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F QZ4 4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F QZ7 n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3 QZ8 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one +C[C@@H]([C@H](CCl)O)N QZA (2r,3s)-3-amino-1-chlorobutan-2-ol +CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZD n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5 QZE 4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C QZG n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide +CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O QZH (5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid +CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZJ n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O QZK {[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid) +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3 QZM 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide +CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl QZN 3-amino-7-chloro-2-nonylquinazolin-4(3h)-one +CC(C)Cc1ccc(cc1)C(=O)O QZP 4-(2-methylpropyl)benzoic acid +CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O QZQ betulinic acid +c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N QZS ~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide +C1CCS(=O)C1 QZT thiolane 1-oxide +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O QZV 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4 QZW 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine +CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4 QZY 3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid +COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O QZZ 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid +c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O R 2'-deoxy-n6-(r)styrene oxide adenosine monophosphate +c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N R00 n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br R01 (4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone +C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4 R02 {4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone +Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C R03 allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine +Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C R04 (2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F R05 5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5 R07 1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione +Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C R09 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine +CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O R0B (2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl R0D (5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone +CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O R0E prom-17 +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N R0G 4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile +c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl R0J 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +CC/C=C/C=C/C(=O)O R0M (2e,4e)-hepta-2,4-dienoic acid +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O R0N roniciclib +CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5 R0P 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl R0S 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N R0Y (2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O R0Z elacridar +C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O R10 5-o-phosphono-d-ribonic acid +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N R11 4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine +Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O R12 (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C R13 3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid +CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC R14 n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl R15 n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide) +CCCCCCCCCCCCCCCC R16 hexadecane +C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br R17 allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine +C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O R18 (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one +C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C R19 allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin +CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C R1A 3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine +CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C R1B s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1 R1C bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+) +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O R1D 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +C1[C@@H]([C@H](CC1(F)F)O)O R1E trans-4,4-difluorocyclopentane-1,2-diol +CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C R1F s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC R1H tariquidar +CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C R1N 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O R1P 1-o-phosphono-alpha-d-ribofuranose +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O R1Q vincristine +c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R1S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O R1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C R1V n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid +CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl R1W ~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide +C1[C@@H]([C@@H]([C@H](O1)CO)O)O R1X 1,4-anhydro-d-ribitol +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 R1Z delta-[ru(bpy)2dppz]2+ +Cc1cccc(c1)c2c[nH]nn2 R20 4-(3-methylphenyl)-1h-1,2,3-triazole +c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N R21 2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C R22 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one +CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl R23 methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-] R24 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N R26 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC R27 n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate +[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O R29 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O R2A (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid +C1=C([C@@H]([C@H](O1)CO)O)O R2B 1,4-anhydro-d-erythro-pent-1-enitol +COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3 R2C 5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid +c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl R2D [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid +CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R2F 2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C1=CO[C@H]([C@@H]1O)CO R2G 2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O R2H 3-fluoro dicyclotyrosine +CNCc1c2ccccc2n(n1)C R2J n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine +C(C(=O)O[Na])C(=O)O[Na] R2K (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium +Cn1c2ccc(cc2cc1C(=O)O)Br R2N 5-bromo-1-methyl-1h-indole-2-carboxylic acid +C(c1c(nsn1)O)[C@H](C(=O)O)N R2P (2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N R2Q 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile +N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N R2R ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) +c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R2S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide +[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O R2T beta,gamma-dihydroxyglutamine +c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O R2V 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine +c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N R2W 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide +CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4 R2Y n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O R2Z n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide +CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 R30 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N R31 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N R32 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN R33 n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl R34 5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +CC(C)(C)[C@@H](CC(=O)O)C(=O)O R35 (2r)-2-tert-butylbutanedioic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C R36 4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C R37 3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O R38 (2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4 R39 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea +[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3 R3A 1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3B (2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3E (2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R3F 2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3G 2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +O[Ti](O)(O)O R3H tetrakis(oxidanyl)titanium +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3 R3J benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3M 2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O R3N (2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid +CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl R3P 2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide +c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O R3S resveratrol-3-o-sulfate +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R3V (5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +C(C(=O)O)Cl R3W chloroacetic acid +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R3X resveratrol-3-o-glucuronide +Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl R3Y 1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione +c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O R3Z 1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 R40 n~2~-[(benzyloxy)carbonyl]-l-arginine +c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N R41 [(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O R44 1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R45 n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine +C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C R46 n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R47 n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N R48 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N R49 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 R4A bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O R4B n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O R4C n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e +C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O R4D 3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CCCCCC1=Cc2c(cccc2N)C(=O)N1 R4E 5-amino-3-pentylisoquinolin-1(2h)-one +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O R4G resveratrol-4'-o-glucuronide +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C R4H 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O R4J [(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O R4K (2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7 R4L 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2 R4M (2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid +c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl R4N 4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide +Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O R4P 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid +C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F R4Q (3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F R4S n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+] R4T 9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine +C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F R4V (1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCS(=O)(=O)C R4W 1-methylsulfonylethane +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F R4Y (1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCc1cc2c(c(c1)C(=O)O)C=CC2=O R4Z 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R51 5-o-phosphono-d-ribose +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R52 5-o-phosphono-d-ribose +C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R54 (5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R55 n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N R56 5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide +COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R57 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R58 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O R59 (2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5A ruthenium wire, 5 carbon linker +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5B ruthenium wire wc5 +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F R5D (1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO R5G n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O R5I inosine diphosphate ribose +[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5N ni-substituted keggin silicotungstate +C(C(C(C(C=O)O)O)O)OP(=O)(O)O R5P ribose-5-phosphate +[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5Q co-substituted keggin silicotungstate +c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N R5S 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO R5T tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO R5V n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide +Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C R5W 3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide +c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO R5X 3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5 R5Y 4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C R5Z 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F R61 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione +CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C R62 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid +Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C R64 (1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone +CS(=O)(=O)CC(=O)C(=O)O R67 3-(methylsulfonyl)-2-oxopropanoic acid +CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R68 n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide +CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O R69 n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R6A ruthenium wire, 6 carbon linker +CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C R6B (~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid +CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C R6C (2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol +c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6 R6D 6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine +CCCCCC[C@](CC)(C(=O)O)N R6E (2~{r})-2-azanyl-2-ethyl-octanoic acid +CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO R6G rhodamine 6g +CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F R6H ~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide +Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C R6K 2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C R6M n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide +CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C R6N 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6 R6P (3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2 R6Q 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one +Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C R6S n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine +c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O R6T 9-oxo-9h-fluorene-4-carboxamide +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6 R6V (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O R6W (3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4 R6Z 3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4 R70 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione +C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C R71 [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C R72 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2 R74 n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide +CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br R75 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone +CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O R77 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C R78 4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C R79 n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C R7A s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1cn2c(n1)C(=CNC2=O)C3CCCCC3 R7B 8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one +c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O R7D n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O R7G 1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O R7H (4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O R7I inosine diphosphate ribose +c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O R7J [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O R7K ~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O R7M (2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N R7N 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C R7P 2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one +Cc1ccc(cc1)C(=O)C(C)C R7Q 2-methyl-1-(4-methylphenyl)propan-1-one +CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O R7S 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide +c1cc(sc1)Cc2ccc(cc2)C(=O)O R7T 4-[(thiophen-2-yl)methyl]benzoic acid +CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R7U ruthenium wire, 7 carbon linker +C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O R7V (1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O R7Y (1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside +CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3 R7Z ~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO R81 n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) +C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C R82 n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide +CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3 R83 n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC R84 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid +Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl R85 5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C R86 2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide +C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3 R88 (4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone +c1cc(c(nc1)N)CO R8A (2-aminopyridin-3-yl)methanol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O R8B methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside +C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F R8C 2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide +c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl R8D 3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile +c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl R8E 3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C R8G 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4 R8H (2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide +c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3 R8J 6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F R8N 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide +C[C@@H](c1ccc(cc1)[N+](=O)[O-])O R8P (1s)-1-(4-nitrophenyl)ethan-1-ol +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F R8Q 2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide +COc1ccnc(n1)NN R8S 2-hydrazinyl-4-methoxypyrimidine +CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O R8T (3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid +CN1[C@H](c2ccccc2C1=O)O R8V (3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one +CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O R8W 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid +CCN(CCC(=O)O)C(=O)c1cccs1 R8Y n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine +CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F R91 1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl R92 4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl R93 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5 R94 n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide +CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R96 n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +Cc1csc(n1)Cc2ccccn2 R97 2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine +CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O R99 n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane +CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R9A ruthenium wire, 9 carbon linker +c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O R9B n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo +COc1cccc(c1)C(=O)N2CCCC2 R9G (3-methoxyphenyl)(pyrrolidin-1-yl)methanone +Cc1ccc(cc1)NC(C)(C)C(=O)O R9J 2-methyl-n-(4-methylphenyl)-l-alanine +Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O R9K 3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid +c1csc(n1)CCC(=O)O R9M 3-(1,3-thiazol-2-yl)propanoic acid +c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br R9P 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N R9Q 3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile +Cc1ccccc1CC(=O)N R9S 2-(2-methylphenyl)acetamide +COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC R9T (1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O R9V (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol +C1CCc2c(c(c3c(n2)CCC3)N)C1 R9W 2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1CCCc2c1ccc(c2)CN R9Y 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine +CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2 RA0 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid +c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N RA1 2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide +CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O RA2 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one +[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] RA4 n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N RA5 8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide +c1c(sc(n1)N2CCOCC2)CO RA7 [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol +[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2 RA8 n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N RA9 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAA alpha-rhamnose +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N RAB 2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O RAC 4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid +CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C RAD c49-methyl rapamycin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O RAE alpha-l-olivopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O RAF raffinose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O RAH [(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid +c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO RAI 1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C RAJ n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O RAL raloxifene +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAM alpha-l-rhamnopyranose +CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O RAN phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O RAO methyl 6-deoxy-alpha-l-rhamnopyranoside +C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC RAP rapamycin immunosuppressant drug +CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N RAR 5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine +C=CCN[C@@H]1CCc2c1cccc2 RAS (1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine +C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O RAT d-arabinaric acid +C#CCN[C@@H]1CCc2c1cccc2 RAU rasagiline +CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC RAV 5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C RAW beta,beta-caroten-4-one +Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RAX dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium +COCCOCC(=O)Nc1cccc(c1)F RAY n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide +CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C RAZ (1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Rb+] RB rubidium ion +C([C@H](C([C@H](CO)O)O)O)O RB0 d-ribitol +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N RB1 3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol +COC(C1CC(CCC1NC(C(O)O)O)Cl)O RB2 2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol +C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O RB3 (1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate +CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 RB4 ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate +C([C@H]([C@H]([C@H](C=O)O)O)O)O RB5 d-ribose +C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O RB6 (2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1Br)CNCCS(=O)(=O)C RB7 n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O RB8 6-deoxy-6-sulfo-d-fructose +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5 RB9 n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4 RBC 4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate +c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O RBD (r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3 RBE 3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RBF riboflavin +CC(C)(C)NC(=O)[C@H]1CCCCN1 RBG (2r)-n-tert-butylpiperidine-2-carboxamide +CNCc1ccc(cc1)O RBJ 4-[(methylamino)methyl]phenol +C([C@H]([C@H](C(=O)CO)O)O)O RBL d-ribulose +[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl RBN benzeneruthenium(ii) chloride +c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br RBP (3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine +CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F RBQ (8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3 RBS n-(4-phenylamino-quinazolin-6-yl)-acrylamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RBT rifabutin +c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5 RBU ruthemium bis(2,2'-bipyridine)-2-imidazole +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N RBV 1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide +CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O RBW 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N RBY methylene adp-beta-xylose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RBZ alpha-ribazole-5'-phosphate +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C RC0 5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine +C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O RC1 [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 RC2 n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide +[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O RC4 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea +CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O RC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O RC7 2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 RC8 (2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C RCA 6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O RCB 4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C RCC 3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O RCD gamma-cyclodextrin +C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O RCE 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N RCF (2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid +CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5 RCG (1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide +Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C RCH n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide +C[C@H](C(=O)O)Cl RCI (r)-2-chloropropionic acid +CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O RCJ (2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid +c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F RCK ~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine +CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O RCL ricinoleic acid +CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl RCM (5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione +c1cc(c(cc1Cl)c2cn[nH]n2)N RCN 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline +c1cc(cc(c1)O)O RCO resorcinol +c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6 RCP (3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine +c1cc(c(cc1Cl)c2[nH]ncn2)N RCQ 4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline +c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N RCS triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i) +COC(=O)COc1cccc(c1)CN RCV methyl [3-(aminomethyl)phenoxy]acetate +c1cc(c(cc1Br)c2[nH]cnn2)N RCW 4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline +CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 RCX rofecoxib +CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C RCY (3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione +c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RCZ ru(tap)2(cl-dppz) complex +c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD0 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O RD1 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) +c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O RD2 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid) +c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O RD3 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid) +[H]/N=C(\c1cccc(c1)OCC)/N RD4 3-ethoxybenzene-1-carboximidamide +c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD7 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4 RD8 radezolid +COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O RDA methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate +C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1 RDC radicicol +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O RDD 1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione +COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N RDE 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O RDF n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan +c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 RDG 2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C=C(C(=O)O)Oc1cccc(c1)C(=O)O RDH 3-[(1-carboxyvinyl)oxy]benzoic acid +C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1 RDI radicicol +CCNC(=O)CSc1nnc(o1)C(C)C RDJ n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O RDL 6,7-dioxo-5h-8-ribitylaminolumazine +CC(=O)N[C@H](CCc1ccccc1)C(=O)O RDM (2r)-2-(acetylamino)-4-phenylbutanoic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O RDP alpha-d-ribose-1-phosphate +c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl RDR 4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one +CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N RDS 6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine +C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC RDT (1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C1CCC(C1)CCC(=O)N2CCNCC2 RDV 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one +C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 RDY n-[(benzyloxy)carbonyl]-n-methyl-l-alanine +CC(=CCC/C(=C/COP(=O)(O)O)/C)C RDZ geranyl phosphate +[Re] RE rhenium +c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE0 3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-] RE1 glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate +c1cc(ccc1CCc2cc(cc(c2)O)O)O RE2 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol +c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE3 3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1cc(nc(n1)N)NCc2cccnc2 RE4 6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O RE5 l-glutamate tenofovir +C[C@H](c1ccc(cc1)F)NCCn2cccn2 RE7 (1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine +c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O RE8 4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid +C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C RE9 6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C REA retinoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4 REB [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REC cephalosporin +C(CCC(=O)O)C[C@H](CCS)S RED dihydrolipoic acid +C[N+](C)(C)NCCC(=O)O REE 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium +c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione +C1CCC(C1)NC(=O)NC[C@@H]2CCCO2 REG 1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea +C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] REI tricarbonyl (aqua) (imidazole) rhenium(i) +C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O REJ tricarbonyl (l-serine) rhenium(i) +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O REK d-aspartate tenofovir +C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O REL d-glucuronic acid +CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O REM nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide +C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC REN (s)-reticuline +[O-][Re](=O)(=O)=O REO perrhenate +C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O REP (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O REQ (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O RER vancosamine +C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O RES 4-phospho-d-erythronohydroxamic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C RET retinal +CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O REV 2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O REW (2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REX glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REY glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REZ (2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 RF1 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate +c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F RF2 3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole +c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 RF3 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C RF4 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O RF5 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose +CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O RF7 {(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid +C(CCCCCCCC(=O)O)CCCCCCC(=O)O RF8 hexadecanedioic acid +C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N RF9 n~6~-[(1r)-1-carboxyethyl]-l-lysine +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFA delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O RFC (r)-ibuprofenoyl-coenzyme a +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O RFE l-methionine tenofovir +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4 RFG 3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide +Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O RFH (1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O RFJ 2'-o-methyl-5'-o-thiophosphonoguanosine +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O RFL 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide +c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4 RFM n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide +C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C RFN (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RFP rifampicin +[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O RFQ n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br RFS br-paroxetine +CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O RFT butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate +Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O RFV rifamycin sv +CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O RFW n-acetyl-d-glucosamine-6-phosphate +CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F RFX (3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I RFY i-paroxetine +c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O RFZ 5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole +CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C RG1 rhodopin b-d-glucoside +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl RG2 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4 RG4 (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F RG7 5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide +C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC RGA reidispongiolide a +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC RGC reidispongiolide c +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO RGD cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N RGE (2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O RGG (2r)-2,3-dihydroxypropyl beta-d-galactopyranoside +CNC(=O)O RGI methylcarbamic acid +CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC RGJ 4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N RGK 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one +C(C[C@@H](C=O)N)CNC(=[NH2+])N RGL arginal +CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C RGM (3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one +C1[C@H]([C@@H](CC1(F)F)O)O RGN (1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol +C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N RGP gamma-glutamyl phosphate +C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N RGS 4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RGT 2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside +CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4 RGV (3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde +Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C RGW ~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C RGY (4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3 RGZ (r)-rosiglitazone +[Rh+] RH rhodium +c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O RH0 3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid +CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 RH1 2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione +c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N RH2 n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide +[Rh+3] RH3 rhodium(iii) ion +COC(=O)[C@H](Cc1ccco1)c2ccncc2 RH4 methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N RH5 4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3 RH7 methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate +CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5 RH8 ~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC RH9 rhizopodin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O RHA 6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose +CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O RHB n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium +C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N RHC (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid +[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3] RHD rhodium hexamine ion +Cl[Re](Cl)(Cl)(Cl)(Cl)Cl RHE rhenium (iv) hexachloride +C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F RHG (3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine +Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N RHH 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO RHJ cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31 RHL [n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium +C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C RHM delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine +c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O RHN 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C RHO tetramethylrhodamine-5-maleimide +C#CCN[C@@H]1CCc2c1cc(cc2)O RHP (3r)-3-(prop-2-ynylamino)indan-5-ol +CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC RHQ rhodamine 6g +CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C RHS 3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan +Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N RHT 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine +Cn1c(nnc1S)C(F)(F)F RHU 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol +CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C RHV ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate +c1cc2c(cco2)cc1c3cc(nc(c3)N)N RHW 4-(1-benzofuran-5-yl)pyridine-2,6-diamine +c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7 RHX [2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii) +CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RHY 1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one +COc1cc(ccc1Cl)c2ccnc(c2)N RHZ 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O RI2 1,5-di-o-phosphono-alpha-d-ribofuranose +CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C RI5 (1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F RI8 4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F RI9 n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RIA 2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O RIB alpha-d-ribofuranose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RIC phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4 RID (3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O RIE (3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid +C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C RIF rifamycin cgp 4832 +CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C RIL [(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +C[C@H](C12CC3CC(C1)CC(C3)C2)N RIM rimantadine +C1CCCCCNC(=O)[C@H](CCCC1)N RIN 3-amino-azacyclotridecan-2-one +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N RIO ribostamycin +C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RIP beta-d-ribopyranose +CC12=C3([Ir]145C2(=C4(C53C)C)C)C RIR [(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O RIS 1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O RIT ritonavir +c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl RIV 5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide +[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F RJ1 n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide +c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4 RJ2 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine +c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O RJ4 (4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde +COc1ccc(cc1)c2ccnc(c2)N RJ5 4-(4-methoxyphenyl)pyridin-2-amine +[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC RJ6 n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide +CCOC(=O)[C@H]([C@H](c1cccnc1)O)F RJ7 ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate +c1cc2c(cco2)cc1c3ccnc(c3)N RJ8 4-(1-benzofuran-5-yl)pyridin-2-amine +C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C RJA ratjadone a, bound form +c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3 RJB 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid +C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3 RJD (3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide +CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3 RJE 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one +c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4 RJG (3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one +Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC RJH 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea +c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N RJI 2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide +CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2 RJJ (5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide +c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN RJK 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea +c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3 RJN benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate +c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O RJP (1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6 RJQ (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide +c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4 RJR (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 RJW (1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCOC(=O)c1csc(n1)C RJY ethyl 2-methyl-1,3-thiazole-4-carboxylate +Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N RJZ 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2 RK1 (7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N RK2 4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1cc(cc(c1)C(=O)O)CN2CCCCC2 RK4 3-[(piperidin-1-yl)methyl]benzoic acid +Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C RK5 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F RK7 ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate +Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N RK8 4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5 RKA n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide +c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O RKD (2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium +CN[C@]1(CCCCC1=O)c2ccccc2Cl RKE (r)-ketamine +c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61 RKF (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RKG methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate +Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N RKH 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O RKJ (4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N RKK 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36 RKL ru(tap)2(dppz) complex +Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RKM (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 RKN (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 RKP lambda-ru(phen)2(dppz) complex +Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N RKQ 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O RKS methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate +c1cc2c(c3c1nccn3)nccn2 RKT pyrazino[2,3-f]quinoxaline +Cn1c(cc(n1)c2ccco2)C(=O)O RKV 3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3 RKW ~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide +c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2 RKY 4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N RKZ 4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br RL1 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone +CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O RL2 n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane +CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br RL3 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone +C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O RL4 (5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F RL7 n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide +CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C RLA ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 RLB lambda-[ru(bpy)2dppz]2+ +CN1C[C@H](CC1=O)c2ccccc2 RLG (4r)-1-methyl-4-phenylpyrrolidin-2-one +CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C RLI 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O RLJ (2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br RLK 2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide +C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O RLL (2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O RLM 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol +C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O RLP 3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid +CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3 RLS (4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one +Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F RLT n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide +CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C RLV 4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide +CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C RLW 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one +CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C RLY n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C RLZ ~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide +c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O RM0 2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol +CN[C@@H]1CCc2c1cccc2 RM1 n-methyl-1(r)-aminoindan +C=C\C=N\[C@@H]1CCc2c1cccc2O RM2 4-hydroxy-n-propargyl-1(r)-aminoindan +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O RM4 beta-l-rhamnopyranose +CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl RM5 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1 RM7 2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4 RM8 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole +B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O RM9 (1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +CN(CC#C)[C@@H]1CCc2c1cccc2 RMA n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine +Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RMB n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole +CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C RMC (2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol +C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O RMD [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium +Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-] RME n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine +C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1 RMG 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine +C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N RMJ 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C RMK ~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide + RML (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N RMM (2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide +c1ccc(cc1)[C@H](C(=O)O)O RMN (r)-mandelic acid +O[As]1O[Mo](=O)S1 RMO [arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum +C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O RMP 2'-deoxy-adenosine-5'-rp-monomethylphosphonate +CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C RMQ (3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid +COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2 RMR 3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide +C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N RMS 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O RMT (3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N RMV 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O RMW [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O RMY ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside +Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3 RMZ (3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one +c1ccc2c(c1)cccc2OC[C@@H](CO)O RN1 (2r)-3-(naphthalen-1-yloxy)propane-1,2-diol +CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 RN2 calpeptin +Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C RN3 methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate +c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2 RN4 (7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4 RN5 4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C RN6 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide +C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1 RN7 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide +CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N RN8 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid) +Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O RN9 3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide +Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2 RNA 4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O RNB 3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N RND n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C RNE (2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine +C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O RNG (6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O RNH (2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide +C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1 RNJ (7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine +Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl RNK 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one +C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1 RNM (7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C RNN n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide +c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-] RNO (r)-para-nitrostyrene oxide +CC(C)N=C[C@H](COc1cccc2c1cccc2)O RNP (1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F RNR 3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine +C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O RNS l-rhamnose +C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O RNT l-rhamnitol +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N RNV 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO RNW 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 RNY n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide +CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O RNZ 2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium +COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC RO0 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4 RO1 (3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide +CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O RO2 3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol +Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br RO3 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide +CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO RO4 [[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester +CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br RO5 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide +c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl RO6 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC RO7 (2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br RO8 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide +Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC RO9 1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine +c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O ROA (2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O ROB 1-deoxy-ribofuranose-5'-phosphate +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O ROC (2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ROD 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O ROE 5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F ROF 3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide +CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N ROG 2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C ROI 7,8-dihydro-7,7-dimethyl-6-hydroxypterin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N ROJ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS ROK 4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 ROL rolipram +CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C ROM c-1027 aromatized chromophore +CCC[C@@H](C(=O)O)N RON norvaline +CCC(=O)N ROP propionamide +C[C@@H](CC(=O)O)C(=O)C(=O)O ROQ (3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid +C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O ROR l-ribose +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4 ROS n,n'-tetramethyl-rosamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O ROU 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C ROV nevanimibe +CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ROX roxithromycin +c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl ROY 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP2 (2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide +C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O RP3 3-deoxy-5-o-phosphono-beta-d-ribofuranose +c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O RP4 (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O RP5 5-o-phosphono-beta-d-ribofuranose +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O RP6 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid +CN1CC=C[C@@H](C1)O RP7 (3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol +c1cc(c2ccc(nc2c1)N)CN RP8 5-(aminomethyl)quinolin-2-amine +CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C RPA rhodopinal glucoside +CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3 RPB rucaparib +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O RPC cytidine 3',5'-bis(dihydrogen phosphate) +C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPD (c8-r)-hydantocidin 5'-phosphate +COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5 RPF 1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O RPG (13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O RPH 6-hydroxo-octahydro-indole-2-carbaldehyde +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O RPI phospho-arginine +c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O RPJ 1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid +C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPL (c8-s)-hydantocidin 5'-phosphate +Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O RPM 5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-] RPN (r)-1-para-nitro-phenyl-2-azido-ethanol +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO RPO (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside +c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N RPP 2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O RPQ d-rhamnopyranose tetrazole +C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN RPR 3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O RPS phtalimide-ruthenium complex +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RPT rifapentine +c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4 RPV 5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid +CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C RPX c16-ethoxy-rapamycin,immunosuppressant drug +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C RQ0 2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4 RQ1 5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N RQ2 ganciclovir triphosphate +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C RQ3 2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid +Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3 RQ4 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7 RQ7 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O RQA 5'-o-sulfocytidine +COC(=O)[C@H](Cc1ccc(cc1)F)N RQD methyl 4-fluoro-l-phenylalaninate +Cc1ccc2c(c1)c(co2)CC(=O)O RQG (5-methyl-1-benzofuran-3-yl)acetic acid +CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl RQH (1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one +C1CN(C1=O)[C@@H](CCCN)C(=O)O RQJ deoxyproclavaminic acid +C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C RQK (2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide +CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O RQN 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide +COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F RQP (5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione +COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3 RQQ n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 RQS n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3 RQT ~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide +CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4 RQV n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide +COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5 RQW (1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C RQX 2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N RQZ 3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide +c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O RR1 5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid +c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12 RR2 (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O RR5 (2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid +c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O RR6 3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid +C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O RR7 2-deoxy-beta-d-arabino-hexopyranose +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl RR8 (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +C#CCN RRA prop-2-yn-1-amine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O RRB [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 RRC r-roscovitine +[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O] RRE fac-tricarbonyl-triaqua rhenium(i) +CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O RRG (2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O RRH (2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O RRJ 4-chloro-4-deoxy-alpha-d-galactopyranose +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N RRK (1r,2r)-1,2-diphenylethane-1,2-diamine +CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C RRM (2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Br RRO 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl RRP 3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 RRQ 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid +c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl RRR 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RRS n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide +c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O RRT (r)-retro-thiorphan +CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O RRV (2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N RRW [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C RRX (3r)-beta,beta-caroten-3-ol +C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl RRY 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose +C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O RRZ 2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO RS1 4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO RS2 n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RS3 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O RS4 7-ethyl-10-hydroxycamptothecin +CCCCCCC#Cc1ccccc1\C=C\C(=O)O RS7 (2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N RS8 n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine +C#CCN[C@H]1CCc2c1cccc2 RSA n-propargyl-1(s)-aminoindan +C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC RSB (1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O RSD respinomycin d +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC RSE [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate +C1CO[C@H]2C1[C@H](CO2)O RSF (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol +C1CO[C@@H]2[C@H]1[C@@H](CO2)O RSG (3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol +C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O RSH 3-deoxy-d-lyxo-hexonic acid +c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N RSK (1s,2r)-1,2-diphenylethane-1,2-diamine +CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC RSM (2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO RSN (3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid +c1ccc(cc1)[C@@H]2CO2 RSO r-styrene oxide +C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RSP 4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O RSQ 5-formylcytidine 5'-(dihydrogen phosphate) +CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RSS 5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid +C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O RST 3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose +c1cc(nc2c1cc(cc2)c3ccsc3)N RSV 6-(thiophen-3-yl)quinolin-2-amine +Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O RSW [(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+) +C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O RSX (4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O RSY n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3 RSZ n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RT ribosylthymine-5'-monophosphate +c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F RT0 (2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O RT1 (2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3 RT2 tofogliflozin +Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N RT3 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl RT7 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate +CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4 RT8 nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide +C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8 RTA (2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii) +C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98 RTB (2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii) +C(#O)[Re](C#O)C#O RTC rhenium (i) tricarbonyl +c1ccc(cc1)[C@H](C(=O)O)S RTD (2r)-phenyl(sulfanyl)ethanoic acid +Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl RTE 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid +Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C RTF 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O RTG 6-o-phosphono-alpha-l-idopyranose +CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N RTH 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine +C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C RTJ (7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[N+](C)(C)CCCP(=O)O RTK trimethyl(3-oxidanylphosphonoylpropyl)azanium +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C RTL retinol +CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N RTM 3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4 RTN 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N RTP ribavirin triphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5 RTQ (2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone +c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N RTR 4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 RTT (2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO RTV 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N RTW 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione +CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl RTX 4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine +c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O RTY 4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid +C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC RTZ 10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +[Ru+3] RU ruthenium ion +CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl RU0 tetrakis(acetato)chloridodiruthenium(ii,iii) +C(#[O+])[Ru+2]C#[O+] RU1 bis(oxidaniumylidynemethyl)ruthenium(2+) +C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+] RU2 pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium +C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O RU3 ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1) +CCNC(=O)Oc1ccc(cc1)c2csnn2 RU4 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl RU5 2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C RU6 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl RU7 para-cymene ruthenium chloride +c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61 RU8 bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+) +c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O RU9 2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide +CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C RUA (4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine) +C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O RUB ribulose-1,5-diphosphate +[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63 RUC (eta6-benzene)ruthenium +Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RUD [ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2 +c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO RUE 3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid +CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO RUG 1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole +C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl RUH (ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl +c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O RUI cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium +CN(CCC(=O)O)[N+](C)(C)C RUJ 3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51 RUL tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) +c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N RUM 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4 RUN 2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole +O([Ru])([Ru])[Ru] RUO oxo-centered triruthenium cluster +c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4 RUP (r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide +S[Cu][S+]([Cu])[Cu] RUQ (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C RUR [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium +C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RUS 1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O RUT rutin +C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O RUU alpha-l-ribulofuranose +CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2 RUV 4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide +Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC RUX [4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium +C1CCN(CC1)c2c(non2)N RUY 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO RUZ [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2 RV1 n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide +c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3 RV2 5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid +CC(=O)Nc1ccc(cc1)CN2CCOCC2 RV4 n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide +c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2 RV5 n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N RV7 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4 RV8 triglycidyl isocyanurate +c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O RVA 3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVB 3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O RVC 3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVD 3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +C=C(C(=O)O)Oc1cccc(c1O)C(=O)O RVE 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O RVG 6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose +CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 RVI (2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide +C([C@@H](C(=O)O)N)NNN RVJ 3-triazan-1-yl-l-alanine +CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O RVK adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC RVM 4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose +c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2 RVN 5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N RVP ribavirin monophosphate +Cc1ccnc(c1)C RVV 2,4-dimethylpyridine +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O RVW (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol +CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N RVX o-[methyl(2-methylpropoxy)phosphoryl]-l-serine +C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3 RVY (5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N RVZ 2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile +c1ccc(cc1)c2ccncn2 RW1 4-phenylpyrimidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O RW2 (1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid +CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N RW3 n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N RW4 3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C RW7 (3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +COC(=O)CCC(=O)N1CCc2c1cccc2 RW8 methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3 RWA (5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO RWB dodecaethylene glycol monomethyl ether +C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3 RWD (4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one +CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O RWF r-warfarin +C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F RWG (5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione +CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N RWH 3-(3-methyl-3-phenethylureido)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O RWI (2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid +c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3 RWJ cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide +C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3 RWM (5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione +COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F RWP methyl 4-[(trifluoroacetyl)amino]benzoate +Cc1nnc(s1)N2CCCCC2 RWS 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine +Cc1nc(cs1)CN2CCC(CC2)CN RWV 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl RWX 2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid +c1ccc(cc1)Oc2ccc(cc2)OCCSC#N RWY 2-(4-phenoxyphenoxy)ethyl thiocyanate +CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C RWZ n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O RX0 [(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone +c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O RX3 n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N RX4 n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine +CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX5 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate +CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX6 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate +Cc1ccsc1CNC(C)(C)CO RX7 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol +CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N RX8 1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C(=O)NC2=O RXA isoquinoline-1,3,4(2h)-trione +CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXB (1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXC (1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O RXD n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide +c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl RXE ~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide +c1ccn(c1)C(=O)COc2ccc(cc2)F RXG 2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC RXH naproxen methyl ester +CN1CCN(CC1)c2ccc(cc2)C#N RXJ 4-(4-methylpiperazin-1-yl)benzonitrile +C1CCC(CC1)C(=O)O RXK cyclohexanecarboxylic acid +Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O RXM (2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl RXN (s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO 4-arsanyl-2-nitrophenol +c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N RXP 1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F RXQ n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide +CC1(C(=C(C(N1[O])(C)C)CS)CS)C RXR [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical +Cc1nccn1Cc2cccc(c2)C#N RXS 3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 RXT (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5 RXV 6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile +B(c1cc2c(cc1C)cn[nH]2)(O)O RXW (5-methyl-1h-indazol-6-yl)boronic acid +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN RXY (7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate +c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F RXZ sphinx31 +C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N RY 5'-3,6-dihydrocytidylic acid +B(c1cccc(c1)c2n[nH]nn2)(O)O RY2 (3-(1h-tetrazol-5-yl)phenyl)boronic acid +CS(=O)(=O)Nc1ccc(cc1)CN RY4 n-[4-(aminomethyl)phenyl]methanesulfonamide +c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4 RY5 (3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO RY7 4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose +Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N RY8 n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C RYA (7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one +Cn1c2ccc(cc2nn1)CO RYD (1-methylbenzotriazol-5-yl)methanol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O RYE hydrolyzed ceftazidime +c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O RYG ~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide +c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N RYJ 4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide +CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3 RYK (5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N RYM 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile +CCNc1nc(nc(n1)SC)NC(C)C RYN n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine +CNCc1ccncc1 RYP ~{n}-methyl-1-pyridin-4-yl-methanamine +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RYS 6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O RYT pentadecaphosphate +C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O RYU (2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one +CCNC(=O)c1ccc(cc1)S(=O)(=O)N RYV n-ethyl-4-sulfamoylbenzamide +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl RYW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N RYX n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide +CCCNC(=O)c1ccc(cc1)S(=O)(=O)N RYY n-propyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N RYZ n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide +CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ0 n-butyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ1 n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide +CC(C)(C)OC[C@@H](C(=O)O)N RZ4 o-tert-butyl-l-serine +CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ5 n-pentyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ7 4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide +CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ8 n-hexyl-4-sulfamoylbenzamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RZA 6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl RZB (3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O RZD (2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate +c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F RZE (3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +COC(=O)c1ccc(cc1)S(=O)(=O)N RZG methyl 4-sulfamoylbenzoate +CCc1cc(cc2c1[nH]c(c2CCN)C)Br RZH 2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin +CN1CCCc2c1cc(cc2)S(=O)(=O)N RZJ 1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide +COc1ccc(cc1)c2nnn(n2)CCN RZK 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O RZM (2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside +c1ccc(cc1)Oc2ccc(cc2)CO RZN (4-phenoxyphenyl)methanol +CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZP (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCNc1ccc(cn1)C#N RZS 6-(ethylamino)pyridine-3-carbonitrile +CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O RZV (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C RZW 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC RZX 2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole +C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZY (2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +B1(c2cc(ccc2CO1)C(=O)O)O RZZ 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid +S S sulfur atom +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N S00 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl S01 1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone +C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO S02 phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester +COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O S03 1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S04 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4 S05 3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone +c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3 S06 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2 S07 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O S08 2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +C[C@H](C1CC1)NC(=O)Nc2ccccc2 S0A 1-[(1r)-1-cyclopropylethyl]-3-phenylurea +C[C@@H]1CN=C(S1)NCCc2ccccc2 S0B (5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine +c1csc(n1)NC(=O)CC2CCCC2 S0C 2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide +Cn1cc(cn1)c2[nH]c3ccccc3n2 S0D 2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole +c1cc2c(cc1C(F)(F)F)sc(n2)N S0E 6-(trifluoromethyl)-1,3-benzothiazol-2-amine +c1cc(ccc1Cc2cnc(s2)N)Br S0F 5-(4-bromobenzyl)-1,3-thiazol-2-amine +CN1C(=C(C(=O)NC1=O)N2CCCCC2)N S0G 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione +C[C@@H](CP(=O)(O)O)O S0H (s)-2-hydroxypropylphosphonic acid +c1ccc(cc1)CN2CC(=O)Nc3c2cccc3 S0I 4-benzyl-3,4-dihydroquinoxalin-2(1h)-one +Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N S0J 4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine +c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3 S0K n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6 S0L 4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O S0N o-succinylbenzoyl-n-coenzyme a +CC(=O)Nc1ccc(cc1)C#N S0P ~{n}-(4-cyanophenyl)ethanamide +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O S0Q 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O S0S (3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol +c1c(nns1)C(=O)N2CCOCC2 S0V morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone +c1cc(ccc1CCC(=O)O)Cl S0W 3-(4-chlorophenyl)propanoic acid +Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O S0Y 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid +B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O S0Z methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate +CCOC(=O)NCCCNC(=O)OCC S10 diethyl propane-1,3-diylbiscarbamate +CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl S11 5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate +CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O S12 o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine +Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2 S13 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N S14 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O S16 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid +COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO S17 methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S18 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper +Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N S19 2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide +C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC S1A soraphen a +B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O S1B 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one +CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O S1C 3-(4-acetamidophenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)F S1D 3-(4-fluorophenyl)benzoic acid +B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O S1E n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide +c1ccc(cc1)CNc2ccc(cc2)C(=O)O S1G 4-[(phenylmethyl)amino]benzoic acid +CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N S1H 1-hexadecanosulfonyl-o-l-serine +c1cc(cnc1)CNc2ccc(cc2N)C(=O)O S1J 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid +B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O S1K 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC S1M methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate +C/C(=C\CCCC=O)/CCC=O S1N (~{e})-4-methylnon-4-enedial +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O S1P (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3 S1Q (5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O S1S 2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O S1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=O)N1CCC(CC1)C#N S1V 1-ethanoylpiperidine-4-carbonitrile +CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O S1W 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol +C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O S1Y [(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4 S1Z (2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O S20 (1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol +c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-] S21 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione +CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O S22 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol +C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O S23 n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine +c1cc(c(cc1O)O)SC(=O)O S24 s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate +c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN S25 n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide +CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O S26 ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate +CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2 S27 n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N S28 n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N S29 n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O S2A (1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside +[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O S2B 3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one +[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O S2C s-2-(boronoethyl)-l-cysteine +C[C@H](C(=O)O)NC(=O)c1ccccc1 S2D n-benzoyl-d-alanine +C(CC(=O)O)[C@@H](C(=O)O)O S2G (2s)-2-hydroxypentanedioic acid +SS S2H hydrogen disulfide +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO S2I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol +CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC S2J methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate +C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N S2K (2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid +c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O S2L 5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC S2M 2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate +CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O S2N s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate +c1cc(ccc1CCO)S(=O)(=O)N S2O 4-(2-hydroxyethyl)benzenesulfonamide +C(c1c(nsn1)O)[C@@H](C(=O)O)N S2P (2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C S2Q 3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)N S2S 4-(methylsulfonylamino)benzamide +CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O S2T (2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid +CN1CCC(CC1)OC(=O)c2cccc(c2)F S2V (1-methylpiperidin-4-yl) 3-fluoranylbenzoate +Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F S2W ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine +CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O S2X 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +COc1ccc(cc1)NCc2ccc(cc2)F S2Y ~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC S2Z 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N S30 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S31 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S32 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S33 (2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide +c1cnccc1CNC(=O)CC#N S34 2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide +Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O S35 (3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid +CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2 S36 3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone +CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O S37 (2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N S38 4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide +CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O S3A (2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCC(=O)Oc1c(cccc1C(=O)O)C S3B 3-methyl-2-(propanoyloxy)benzoic acid +c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl S3C (2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid +[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe] S3F oxidized [fe4-s3] cluster +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3 S3G 5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +SSS S3H trisulfane +c1ccc(cc1)C2CCN(CC2)CC(=O)O S3J 2-(4-phenylpiperidin-1-yl)ethanoic acid +Cn1c(cc(n1)CO)c2ccccc2 S3M (1-methyl-5-phenyl-pyrazol-3-yl)methanol +c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F S3N 7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3 S3O n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O S3P shikimate-3-phosphate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC S3Q 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine +CCOC(=O)Cc1ccncc1 S3S ethyl 2-pyridin-4-ylethanoate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC S3T ~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +c1cnccc1C(=O)O S3V pyridine-4-carboxylic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O S3W n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide +c1cc(ccc1N2C[C@@H](NN2)CO)Cl S3Y [(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC S3Z ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4 S40 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide +Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C S41 n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN S42 6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine +CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 S43 (4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O S44 (2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid +c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl S45 (3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine +CN1CCN(CC1)C(=O)c2ccc(cc2)O S46 (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone +c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5 S47 (3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) +Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5 S48 methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N S49 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N S4A 2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate) +B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O S4B {4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O S4C 4'-thio-4'-deoxy-cytosine-5'-monophosphate +C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3 S4D (1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine +COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5 S4E n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N S4G 2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate) +SS(=S)S S4H trithiosulfurous acid +CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6 S4K 1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide +C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S4M 5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine +C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F S4N (r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine +SSSS S4P dihydrogen tetrasulfide +CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F S4Q 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6 S4T n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O S4U 4-thiouridine-5'-phosphate +c1ccc(c(c1)N)Nc2ccccn2 S4V ~{n}2-pyridin-2-ylbenzene-1,2-diamine +CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl S4W 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine +c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl S4Y (2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide +CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F S4Z 2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide +c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5 S51 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5 S52 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F S53 [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N S54 n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3 S55 methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate +CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N S56 (2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide +COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2 S57 1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole +c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br S58 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole +c1cc(ccc1CCC(=O)O)c2ccc(cc2)O S5A 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid +Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O S5B 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N S5D (r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F S5E 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide +CC1([C@@H](SC(=S)N1C)NO)C S5G (5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C S5H 5-alpha-pregnane-3-beta-ol-hemisuccinate +COc1ccccc1N2CCN(CC2)CC#N S5J 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile +B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O S5K [(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid +CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 S5M 4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S S5P 6-sulfanyluridine-5'-phosphate +SSS(S)S S5S 2-sulfanyl-2lambda~4~-tetrasulfane +O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1 S5T monolacunary keggin (sta) +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC S5W macrocyclic safit analogue 55 +CCOCCOCCS S5Y 2-(2-ethoxyethoxy)ethanethiol +c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O S5Z 4-phenyl-2-(sulfanylmethyl)benzoic acid +Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N S60 6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F S61 (s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid +c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O S62 1,3-benzothiazole-2,5-disulfonic acid +COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3 S64 (3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine +[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl S65 heptachlor endo-epoxide +C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S68 endosulfan +Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O S69 n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +c1cc(c(cc1CO)Cl)n2ccnc2 S6B 3-chloranyl-4-imidazol-1-yl-benzaldehyde +C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F S6D 2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6E (-)cis-chlordane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N S6G 6-thio-2'-deoxyguanosine-5'-monophosphate +C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6H (+)cis-chlordane +c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N S6I 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O S6J 6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN S6L 2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide +CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C S6M [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O S6P d-sorbitol-6-phosphate +c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S6Q ~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O S6S 2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl S6T pretilachlor +c1ccc(cc1)NC(=O)NCCN2CCCC2=O S6V 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea +c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F S6W fipronil +CC(C)CC1=NC(=O)NC(=C1)C(=O)O S6Y 6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid +CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C S6Z oxadiazon +C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O S70 3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN S71 (r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine +Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC S72 1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F S73 (2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol +c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5 S74 3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid +CNC1=CC(=O)NC(=O)N1 S76 6-(methylamino)-1h-pyrimidine-2,4-dione +Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F S77 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine +CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4 S78 2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium +c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N S79 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1CN(CCN1)C(=O)CC(F)(F)F S7A 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one +Cc1cccc(c1OC(=O)C2CC2)C(=O)O S7B 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid +C[C@H]1CN(CCO1)C(=O)Cn2cccn2 S7D 1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N S7E 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide +CC(=O)N[C@@H]1Cc2ccccc2NC1 S7G ~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide +C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O S7H 1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione +c1c(cnc(n1)C(F)(F)F)C(=O)N S7J 2-(trifluoromethyl)pyrimidine-5-carboxamide +Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N S7K (s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S7M [(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium +C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1 S7N (phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O S7P 1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose +C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 S7Q (phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +CCCC(=O)Nc1nnn(n1)CC S7S ~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C S7T 4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CN2CCO[C@H](C2)CO S7V [(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol +C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F S7W tegafur +Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O S7Y alosetron +c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO S7Z (e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol +CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC S80 n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N S81 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside +CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4 S82 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F S84 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC S85 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O S87 ondansetron +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F S88 n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 S89 n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide +c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O S8A (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid +CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 S8B ~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide +CCNC(=O)CN1C[C@H](OC[C@@H]1C)C S8D 2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide +CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O S8E 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine +c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3 S8F 3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine +C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N S8G 1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one +CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N S8H (2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid +CCOc1cccc(c1)C(=O)Nc2nnn(n2)C S8J 3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide +CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S8K ~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N S8M (2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol +CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C S8N (2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone +Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2 S8P 5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide +C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC S8Q 2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F S8T 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine +C1COC[C@@H]1CNC2CC2 S8V ~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine +CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 S8W ~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 S8Y 5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F S8Z (8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3 S90 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine +Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N S91 [4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid +c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4 S94 4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)O S95 isoquinoline-5-sulfonic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3 S97 6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N S98 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O S99 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C S9A ~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide +c1cc2cnccc2c(c1)C(=O)O S9B isoquinoline-5-carboxylic acid +c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3 S9D 2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine +c1cc(ncc1C=O)n2ccnc2Br S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde +C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3 S9G cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone +COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9H 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one +COc1ccccc1OCC(=O)NN S9J 2-(2-methoxyphenoxy)ethanehydrazide +c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9K 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one +C(COCCOCCOP(=O)(O)O)O S9L 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate +c1c(cc(c(c1[C@H]2CCNN2)O)F)F S9M 2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol +c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F S9N 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid +Cc1nc2ccc(cc2o1)O S9P 2-methyl-1,3-benzoxazol-6-ol +c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F S9Q 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one +CS(=O)(=O)NCCc1ccc(cc1)F S9S ~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide +COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC S9T (1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl S9V 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea +c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br S9W ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide +CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C S9Y 2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br S9Z ~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SA0 2-(hydroxymethyl)phenyl beta-d-glucopyranoside +C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O SA1 (3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde +C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O SA2 (3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine +c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O SA3 2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione +CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O SA6 (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SA8 s-5'-azamethionine-5'-deoxyadenosine +c1ccc(c(c1)CO)O SA9 2-(hydroxymethyl)phenol +C[C@](c1ccccc1)(C(=O)O)O SAA (s)-atrolactic acid +c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N SAB 4-sulfonamide-[1-(4-aminobutane)]benzamide +CC(=O)N[C@@H](CO)C(=O)O SAC n-acetyl-serine +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N SAD beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N SAE selenazole-4-carboxyamide-adenine dinucleotide +C[C@@H](c1cccc(c1)O)N(C)C SAF 3-[(1s)-1-(dimethylamino)ethyl]phenol +C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F SAG (s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide] +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N SAH s-adenosyl-l-homocysteine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N SAI s-adenosyl-l-homoselenocysteine +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O SAJ (2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid +COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O SAK (2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one +c1ccc(c(c1)C(=O)O)O SAL 2-hydroxybenzoic acid +C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SAM s-adenosylmethionine +c1cc(ccc1N)S(=O)(=O)N SAN sulfanilamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N SAO 5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N SAP adenosine-5'-diphosphate monothiophosphate +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O SAQ 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNCC(=O)O SAR sarcosine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O SAS 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid +C(C(=O)O)S(=O)(=O)O SAT sulfoacetic acid +C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6 SAU 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium +Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC SAV n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O SAW (1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide +CCCCCCCCCCCCOc1cccc(c1C(=O)O)O SAX 2-(dodecyloxy)-6-hydroxybenzoic acid +c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O SAY [(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C SAZ (1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Sb+3] SB antimony (iii) ion +COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F SB0 trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol +CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C SB1 (21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane +C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 SB2 4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3 SB3 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F SB4 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F SB5 4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F SB6 4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole +c1ccc(cc1)CCCN(CO)O SB7 [hydroxy(3-phenylpropyl)amino]methanol +c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O SB8 2-(3-benzoylphenoxy)ethyl(hydroxy)formamide +Cc1cccc(n1)CCCN(C=O)O SB9 hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide +CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 SBA carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone +CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3 SBB n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide +c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N SBC 1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBD d-naphthyl-1-acetamido boronic acid alanine +B1(OCCO1)O SBE 1,3,2-dioxaborolan-2-ol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4 SBF n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +C[P@](=O)(O)OC[C@@H](C(=O)O)N SBG o-[(s)-hydroxy(methyl)phosphoryl]-l-serine +C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O SBH (s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate +c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3 SBI sorbinil +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN SBJ [(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate +c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl SBK triclopyr +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBL l-naphthyl-1-acetamido boronic acid alanine +CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC SBM 2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C SBN 2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile +O[Sb](O)O SBO trihydroxyantimonite(iii) +B1(OCCO1)OCCCNC(=[NH2+])N SBP [3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine +COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SBQ methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate +C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBR (r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBS (s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +CC[C@H](C)O SBT 2-butanol +CCCC SBU sec-butyl group +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O SBV (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside +c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N SBW n-(3-hydroxybenzyl)-4-sulfamoylbenzamide +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3 SBX 1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] SBY 3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate +B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N SBZ [4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O SC 2-deoxy-cytidine-5'-thiophosphorate +CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O SC0 (6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid) +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O SC1 [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +CC(=O)N[C@@H](CS)C(=O)O SC2 n-acetyl-l-cysteine +CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C SC3 7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione +COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl SC4 1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene +C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN SC5 2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol +Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O SC6 n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C SC7 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4 SC8 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F SC9 6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O SCA succinyl-coenzyme a +COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4 SCB 2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid +CCS SCC thioethyl group +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O SCD succinyl(carbadethia)-coenzyme a +Cc1cnc2n1ccnc2NCc3ccncc3 SCE 3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F SCF 5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SCG secologanin +CSSC[C@@H](C(=O)O)N SCH s-methyl-thio-cysteine +C(C[C@@H](C(=O)O)N)C/N=C(/N)\S SCI l-thiocitrulline +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4 SCJ 3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C SCK 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium) +CC(=O)ONC(=O)c1ccccc1O SCL acetic acid salicyloyl-amino-ester +C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O SCM spectinomycin +C(#N)[S-] SCN thiocyanate ion +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O SCO succinamide-coa +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O SCP [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br SCQ 3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SCR sucrose octasulfate +CCSSC[C@@H](C(=O)O)N SCS 3-(ethyldisulfanyl)-l-alanine +CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO SCT (south)-methanocarba-thymidine +C[N+](C)(C)CCOC(=O)CCC=O SCU n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium +CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N SCV n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine +c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 SCW 3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine +CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F SCX n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine +CC(=O)SC[C@@H](C(=O)O)N SCY s-acetyl-cysteine +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5 SCZ 3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C SD1 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS SD2 n-(sulfanylacetyl)tyrosylprolylmethioninamide +C([C@H](C(=O)O)N)C(=O)NO SD3 n-hydroxy-d-asparagine +C([C@@H](C(=O)O)N)C(=O)NO SD4 n-hydroxy-l-asparagine +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F SD5 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine +CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 SD8 2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester +c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N SDA 4-amino-3,5-dichlorobenzenesulfonamide +C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N SDB (4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N SDC s-[2-(aminosulfonyl)ethyl]-d-cysteine +C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O SDD d-sorbose +c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O SDE (s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S SDF [(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N SDG 2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O SDH (5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione +c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O SDJ (2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 SDK 1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone +C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O SDL 2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione +CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O SDN [(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid +CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O SDO n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide +CCOP(=O)(OCC)OC[C@@H](C(=O)O)N SDP 2-amino-3-(diethoxy-phosphoryloxy)-propionic acid +c1ccc(cc1)CS SDQ phenylmethanethiol +CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C SDR (2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid +CCCCCCCCCCCCOS(=O)(=O)O SDS dodecyl sulfate +Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O SDT 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione +c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F SDV n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O SDX s-citryldethia coenzyme a +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O SDY beta-d-talopyranose +c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O SDZ 1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine +[SeH2] SE selenium atom +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2 SE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)C=C(C(=O)O2)O SE2 3-hydroxy-2h-chromen-2-one +[O-][Se](=O)(=O)[O-] SE4 selenate ion +c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl SE5 4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid +C([C@@H](C(=O)O)N)[Se](=O)O SE7 2-amino-3-selenino-propionic acid +C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O SE8 5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid +C(CS)N SEA thioethylamine +c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N SEB o-benzylsulfonyl-serine +C([C@@H](C(=O)O)N)[SeH] SEC selenocysteine +[B-](O)(O)(O)OC[C@@H](C(=O)O)N SEE trihydroxy(l-serinato-kappao~3~)borate(1-) +CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F SEF ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate +C([C@@H](C(=O)O)N)O SEG hydroxyalanine +CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 SEH s-benzyl phenylacetothiohydroximate-o-sulfate +CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3 SEI 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide +C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O SEJ beta-d-arabinopyranose +C(#N)[Se-] SEK selenocyanate ion +C(C(CO)N)O SEL 2-amino-1,3-propanediol +c1ccc(cc1)COC[C@@H](C(=O)O)N SEM o-benzyl-l-serine +CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N SEN o-[n,n-dimethylphosphoramidate]-l-serine +C(CS)O SEO 2-mercaptoethanol +C([C@@H](C(=O)O)N)OP(=O)(O)O SEP phosphoserine +C([C@@H](C(=O)O)N)O SER serine +C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 l-serine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])O SER_LEO2H l-serine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG l-serine-c-terminal protonated fragment/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG l-serine-c-terminal deprotonated fragment/with side chain deprotonated og +C([C@@H](C(=O)O)N)O SER_LFOH l-serine free neutral +C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG l-serine-free neutral/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW l-serine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG l-serine-free zwitterion/with side chain deprotonated og +C([C@@H]([C-]=O)[NH-])O SER_LL l-serine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG l-serine-linking embedded fragment/with side chain deprotonated og +C([C@@H]([C-]=O)[NH3+])O SER_LSN3 l-serine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG l-serine-n-terminal protonated fragment/with side chain deprotonated og +CCCCc1c([se]c(n1)N)CCC SES 4-butyl-5-propyl-1,3-selenazol-2-amine +C([C@@H](C(=O)N)N)O SET aminoserine +CCSC(=N)N SEU s-ethylisothiourea +COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SEV 3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide +C(=[Se])(N)N SEY selenourea +Cc1cc(cc(c1)C)C SEZ 1,3,5-trimethylbenzene +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF1 1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid +COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF2 5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe] SF3 fe4-s3 cluster +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 SF4 iron/sulfur cluster +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC SF5 methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate +C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O SF6 alpha-l-psicofuranose +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F SF7 (3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide +C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O SF8 (2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid +C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O SF9 beta-l-psicofuranose +CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C SFA sanglifehrin a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N SFB (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O SFC (s)-ibuprofenoyl-coenzyme a +Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O SFD (s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid +c1ccc(cc1)C(CC(=O)O)N SFE (3s)-3-amino-3-phenylpropanoic acid +C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2 SFF (4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N SFG sinefungin +c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O SFH 5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O SFI 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O SFJ (2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid +CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O SFK n-(4-methylpentanoyl)-l-phenylalanine +F[Sc-](F)(F)F SFL scandium tetrafluoride +C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O SFM (13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone +[O-]S(=O)=O SFN sulfonate group +O[SH](=O)O SFO sulfonic acid +c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3 SFP 5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine +c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I SFQ 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid +C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O SFR (2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid +[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45 SFS fe4-se4 cluster +CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O SFT sulfogalactoceramide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O SFU methyl 1-seleno-alpha-l-fucopyranoside +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O SFV [[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3 SFW 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole +CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F SFX (3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N SFY 4-amino-n-(pyridin-2-yl)benzenesulfonamide +c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O SG1 3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide +CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N SG2 1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide +C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F SG3 [(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG4 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose +CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N SG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose +CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N SG6 4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG7 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl SG8 3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O SG9 spongistatin-1 +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O SGA 3-o-sulfo-beta-d-galactopyranose +CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N SGB o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O SGC 4-thio-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S SGD 6-thio-alpha-d-glucopyranose +C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 SGE 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O SGF (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O SGG [(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid +Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3 SGH 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole +c1cc(ccc1CCC(=O)N)O SGI 3-(4-hydroxyphenyl)propanamide +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O SGJ 1,4-dideoxy-4-thio-nojirimycin +c1ccnc(c1)CNCC(=O)O SGK 2-(pyridin-2-ylmethylamino)ethanoic acid +C([C@H](CSO)O)O SGL 1-hydroxy-1-thio-glycerol +C([C@H](CS)O)O SGM monothioglycerol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O SGN 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N SGP guanosine-2',3'-cyclophosphorothioate +CO[P@](=O)(N)OC[C@@H](C(=O)O)N SGR o-[(r)-amino(methoxy)phosphoryl]-l-serine +COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SGS (e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N SGT 2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N SGV sangivamycin +COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl SGW 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one +COP(=O)(N)OC[C@@H](C(=O)O)N SGX o-[(s)-amino(methoxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CC=O SGZ 2-naphthalen-1-ylethanal +C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SH0 3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate +C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1 SH1 n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH2 (r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH3 n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-] SH4 (1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N SH5 5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine +C(CCCC(=O)O)CCCBr SH6 8-bromooctanoic acid +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl SH7 (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O SH8 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid +c1ccc(c(c1)C(=O)NO)O SHA salicylhydroxamic acid +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O SHB methyl beta-d-galactopyranuronate +CCCCCCSC[C@@H](C(=O)O)N SHC s-hexylcysteine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O SHD alpha-d-altropyranose +CC(=O)CCC(=O)O SHF laevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O SHG 2-deoxy-2-fluoro-beta-d-glucopyranose +c1ccc(cc1)NC(=O)CCCCCCC(=O)NO SHH octanedioic acid hydroxyamide phenylamide +c1c(c(no1)O)C[C@@H](C(=O)O)N SHI (s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid +CC1=C(C(=O)C=C(O1)C(=O)O)O SHL 5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2 SHM homobiotin +CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O SHN 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +C(CCO)CC(=O)O SHO 5-hydroxylaevulinic acid +c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SHP (4-hydroxymaltosephenyl)glycine +C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N SHR n-(5-amino-5-carboxypentyl)glutamic acid +C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O SHT o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine +CC(=O)CC(=O)CCC(=O)O SHU 4,6-dioxoheptanoic acid +CCCCCCC(=O)O SHV heptanoic acid +CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O SHW s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate +Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl SHX nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N SHY 4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI0 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N SI1 n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SI2 o-sialic acid (chair conformation) +CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O SI3 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI4 [cuii(biot-pr-dpea)]2+ +Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N SI5 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4 SI6 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI7 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI8 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI9 [cuii(biot-bu-dpea)]2+ +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SIA n-acetyl-alpha-neuraminic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O SIB (2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid +C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N SIC (2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O SID methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N SIE sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester +C[Si](C)(C)C(CC(=O)O)C(=O)O SIF 3-trimethylsilylsuccinic acid +C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C SIG stigmatellin +CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C SIH progesterone-11-alpha-ol-hemisuccinate +CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 SII n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3 SIJ 6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C SIL [(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C SIM simvastatin acid +C(CC(=O)O)C(=O)O SIN succinic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C SIO methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F SIP 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SIR cobalt sirohydrochlorin +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O SIS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] SIW keggin (sta) +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F SIX 2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O SIZ 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C SJ1 n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide +[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C SJ2 ~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide +C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O SJ5 (3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid +c1cc(ccc1/C=C/C(=O)O)F SJ8 (~{e})-3-(4-fluorophenyl)prop-2-enoic acid +C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C SJA amorphadiene +COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SJD 3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide +CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJG ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3 SJJ 5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide +C1CSC2=NC=C(C(=O)N21)C(=O)NCCS SJK 5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide +CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJM ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide +Cc1ccc2c(n1)NC=C(C2=O)C(=O)O SJN 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N SJP (2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide +C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F SJQ 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one +COc1ccc(cc1)C(=O)Nc2ccccn2 SJR 4-methoxy-n-(pyridin-2-yl)benzamide +c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F SJS 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C SJT spliceostatin a (form ii) +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC SJV methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +c1cc(cnc1)CCC=O SJW 3-pyridin-3-ylpropanal +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O SJY 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid +Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 SJZ (~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O SK0 (1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N SK1 n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O SK2 (3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester +c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O SK3 (1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol +COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C SK4 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide +c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F SK5 (e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N SK6 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO SK7 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F SK8 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole +Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C SK9 (1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1cc(c(c2c1CCNC2)Cl)Cl SKA 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F SKB (e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one +CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O SKD 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid +c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide +c1cc2c(cc1S(=O)(=O)N)CNCC2 SKF 1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide +C[C@H]([C@@H](C(=O)O)N)C(C)C SKG 4-methylisoleucine +C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O SKH (3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +CCC[C@@H](C)[C@@H](C(=O)O)N SKJ beta-methylnorleucine +Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N SKK n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O SKM (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid +B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O SKN ((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid +Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC SKO n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O SKP 5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid +C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl SKQ 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O SKT (3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F SKV 2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide +C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br SKW ~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O SKY 1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole +C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O SKZ [2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron +CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C SL0 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside +c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O SL1 n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide +CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C SL2 3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C SL3 2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O SL4 5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile +C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O SL5 (2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid +c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl SL6 (z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O SL7 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br SL8 ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O SLA omuralide, open form +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SLB n-acetyl-beta-neuraminic acid +C=C(C[SeH])C(=O)N1CCCC1C(=O)O SLC seleno-captopril +CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C SLD (3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide +CC(C)C[C@H](CS)C(=O)O SLE 2-(thiomethylene)-4-methylpentanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O SLF sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine +CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl SLG 2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid +c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O SLH (2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +c1ccc(cc1)NC(=O)c2ccccc2O SLI 2-hydroxy-n-phenylbenzamide +CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O SLJ 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N SLK ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N SLL (2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O SLM (2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide +CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C SLN 1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O SLO 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid +C(C[SeH])C(=O)O SLP 3-selanylpropanoic acid +CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 SLQ (2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O SLR (3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline +c1cc2c(cc1C(=O)N)CCCO2 SLS 3,4-dihydro-2~{h}-chromene-6-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O SLT 5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose +c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O SLU 5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine +CCCc1ccc(cc1O)NC(=O)C SLV ~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide +CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl SLW 4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide +COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC SLX (13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol +c1ccc(cc1)Oc2ccccc2CN SLY (2-phenoxyphenyl)methanamine +C(CSC[C@@H](C(=O)O)N)N SLZ l-thialysine +[Sm+3] SM samarium (iii) ion +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2 SM1 n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide +B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O SM2 (1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid +B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O SM3 (1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid +B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O SM4 (1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid +c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O SM5 (1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime +CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO SM6 ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate +c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4 SM7 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C SM8 simocyclinone d8 +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C SM9 n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide +C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC SMA stigmatellin a +CC[C@H](C)C(=O)O SMB 2-methylbutanoic acid +CSC[C@@H](C(=O)O)N SMC s-methylcysteine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SMD methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside +C[S@@](=O)CC[C@@H](C(=O)O)N SME methionine sulfoxide +c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O SMF 4-sulfomethyl-l-phenylalanine +CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O SMG n-succinyl methionine +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C SMH n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide +C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O SMI spectinomycin +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N SMK (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CS(=O)(=O)c1ccccc1 SML phenyl methyl sulfone +COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N SMM s-adenosylmethionine methyl ester +c1ccc(cc1)[C@@H](C(=O)O)O SMN (s)-mandelic acid +O=[Mo](=O)=S SMO dioxosulfidomolybdenum(vi) ion +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O SMP 2'-deoxy-adenosine-5'-sp-monomethylphosphonate +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C SMQ simocyclinone c4 +CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C SMR n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide +CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C SMS sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC SMT 2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate +c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1 SMU [5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese +c1cc(sc1)C(=S)N SMV thiophene-2-carbothioamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC SMW (2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O SMX (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1 SMY (2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC SMZ n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine +CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O SN0 n-(3-carboxypropanoyl)-l-norvaline +c1cc(c(cc1O)O)\C=C\C(=O)O SN1 2,4-dihydroxy-trans cinnamic acid +c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N SN2 5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide +[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O SN3 (r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate +COc1ccc(cn1)C(=S)N SN4 6-methoxypyridine-3-carbothioamide +CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SN5 2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C SN6 1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C SN7 4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate +Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C SN8 1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C SN9 8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O SNA n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid +COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br SNB 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline +C([C@@H](C(=O)O)N)SN=O SNC s-nitroso-cysteine +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N SND thionicotinamide-adenine-dinucleotide +CC(C)[C@@]12CCC(=C)[C@@H]1C2 SNE sabinene +C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 SNF (n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O SNG methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside +Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C SNH 5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se] SNI 9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione +c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3 SNJ 2,5-diphenyl-4~{h}-pyrazol-3-one +CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N SNK (2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid +CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C SNL spironolactone +CN(C)[C@@H](CO)C(=O)O SNM n,n-dimethyl-l-serine +C1[C@@H](C(=O)NC1=O)N SNN l-3-aminosuccinimide +c1cc(ccc1[C@H]2CO2)[N+](=O)[O-] SNO (s)-para-nitrostyrene oxide +CC(C)NC[C@@H](COc1cccc2c1cccc2)O SNP 1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol +c1ccn(c1)c2ccc(cc2C#N)N SNQ 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile +C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 SNR norbiotin +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F SNS 3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine +Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4 SNT (e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine +c1ccn(c1)c2ccc(cc2)N SNU 4-(1h-pyrrol-1-yl)aniline +c1ccc(c(c1)N)N2CCN(CC2)CCO SNV 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol +C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O SNW deoxyfructosylglutamine +COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O SNX 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide +COc1cc(cc(c1O)OC)/C=C/C=O SNY (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal +c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O SNZ n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O SO1 [1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid +O=S=O SO2 sulfur dioxide +[O-]S(=O)[O-] SO3 sulfite ion +[O-]S(=O)(=O)[O-] SO4 sulfate ion +C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O SO5 (2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC SO7 (3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N SO8 2'-(l-isoleucyl)amino-2'-deoxyadenosine +c1ccc(c(c1)CO)N SOA isatoic anhydride +C([C@@H](C(=O)O)N)[SeH](=O)=O SOC dioxyselenocysteine +C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl SOD (1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci +C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O SOE alpha-l-sorbopyranose +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4 SOF 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone +CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SOG octyl 1-thio-beta-d-glucopyranoside +OS(=O)(=O)[O-] SOH hydrogen sulfate +c1ccc(cc1)Nc2ccc(cc2)N SOJ ~{n}4-phenylbenzene-1,4-diamine +C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O SOL l-sorbose +C[P@H](=O)O SOM methyl phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N SON adenosine phosphonoacetic acid +CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SOO s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate +CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O SOP [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate +CN[C@@H](CC(=O)O)C(=O)O SOQ n-methyl-l-aspartic acid +C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O SOR sorbitol +c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O SOS [(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate +C1COCCN1S(=O)(=O)O SOT morpholine-4-sulfonic acid +Cc1ccc(cc1C#N)N2C(=O)C=CC2=O SOV 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile +CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C SOX n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N SOY oxacillin-acylated serine +c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F SP0 3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N SP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C SP2 3,4-dihydrospheroidene +c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F SP3 n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide +CC(=O)NCCCNCCCCNCCCN SP5 n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide +c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4 SP6 benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate +C[C@@H](CCNCCCCN)NC(=O)C SP7 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide +C[C@@H](CCNCCCCN)NC(=O)c1ccccc1 SP8 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +C[C@H](CCNCCCCN)NC(=O)c1ccccc1 SP9 n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +c1cc(sc1)CC(=O)O SPA thiopheneacetic acid +c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O SPB 4-(4-styryl-phenylcarbamoyl)-butyric acid +COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC SPC n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide +C(CCNCCCN)CN SPD spermidine +C(CN)CNCCCNCCCN SPE thermine +CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C SPF sinapoyl coenzyme a +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O SPG 2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine +CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O SPH sphingosine +COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3 SPI n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide +C[C@H](CCNCCCCNCC[C@@H](C)N)N SPJ (3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] SPK spermine (fully protonated form) +CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O SPL octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide +C(CCNCCCN)CNCCCN SPM spermine +CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C SPN speroidenone +CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C SPO spheroidene +CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C SPP (1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O SPQ (3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C SPR spiramycin i +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC SPS sparsomycin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O SPT 5'-thio-thymidine phosphonic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O SPU 2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium +C(C(=O)C(=O)O)S(=O)(=O)O SPV sulfopyruvate +[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H] SPW n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC SPX sphinxolide b +c1cnccc1S(=O)(=O)O SPY pyridine-4-sulfonic acid +C[C@@H](CCNCCCCNCC[C@H](C)N)N SPZ (3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +CCNC1C(C(=O)C1=O)NC SQ 3-ethylamino-4-methylamino-cyclobutane-1,2-dione +C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO SQ0 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione +C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SQ1 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper +CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SQ2 2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one +c1cc(ccc1N)N2C(=O)C=CC2=O SQ4 1-(4-aminophenyl)pyrrole-2,5-dione +c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3 SQ5 (5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione +c1cc(ccc1N2C(=O)C=NC2=O)Cl SQ7 3-(4-chlorophenyl)imidazole-2,4-dione +CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F SQ8 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one +Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N SQ9 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide +CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C SQA 2-azasqualene +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC SQB 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC SQD 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol +CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N SQE 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1NC(=O)CC#N)OC(F)(F)F SQG 2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide +c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O SQH 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F SQK 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C SQL (6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene +Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N SQM 4-benzamido-2-methyl-pyrazole-3-carboxamide +c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O SQO 2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(c(c1)c2ccc(cc2)N)C(=O)O SQP 2-(4-aminophenyl)benzoic acid +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC SQQ 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O SQS (2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol +CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C SQU 2,10,23-trimethyl-tetracosane +C[C@@H](c1cc(ccn1)OC)C(=O)OC SQV methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate +CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2 SQW propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate +C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C SQX 13-desmethyl spirolide c +COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2 SQY methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate +C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6 SQZ 5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole +[Sr+2] SR strontium ion +C(CC[NH2+]CCC[NH3+])C[NH3+] SR0 n~1~-(3-azaniumylpropyl)butane-1,4-diaminium +CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O SR1 5-s-methyl-5-thio-alpha-d-ribofuranose +CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br SR2 (2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O SR3 (2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid +c1ccc2c(c1)C(=CCCO2)C(=O)O SR4 2,3-dihydro-1-benzoxepine-5-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC SR5 (2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid +c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5 SR7 n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3 SR8 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea +CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4 SR9 (2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N SRA adenosine -5'-thio-monophosphate +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRB l-1-naphthyl-2-acetamido-ethane boronic acid +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRD d-1-naphthyl-2-acetamido-ethane boronic acid +CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl SRE (1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine +CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SRG (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid +CCOC(=O)CCC(=O)N1CCc2c1cccc2 SRH ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +[H]/N=C(\CO)/C(=O)O SRI (2z)-3-hydroxy-2-iminopropanoic acid +c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O SRJ (3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol +c1ccc2c(c1)CCN2C(=O)CCC(=O)O SRK 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid +CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC SRL [2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester +C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O SRM siroheme +C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C SRN sorangicin a +c1cc2c(cc1O)c(c[nH]2)CCN SRO serotonin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N SRP seryl adenylate +c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F SRQ 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC SRR 4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol +CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O SRS 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine +[C@H]([C@H](C(=O)O)O)(C(=O)O)O SRT s,r meso-tartaric acid +CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC SRV (2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid +CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C SRX chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+) +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O SRY streptomycin +C(CO)COC[C@@H](C(=O)O)N SRZ propoxy-l-serine +CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N SS0 (8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine +C[C@@H](c1ccccc1)O SS1 1-phenylethanol +C[C@H](c1ccccc1)O SS2 (1r)-1-phenylethanol +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N SS3 (2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N SS4 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N SS5 (2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N SS6 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C SS7 4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate +c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O SS8 3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid +C(CCNCCCN)CCS SS9 5-[(3-aminopropyl)amino]pentane-1-thiol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N SSA 5'-o-(n-(l-seryl)-sulfamoyl)adenosine +CCCC[C@H]1CC[S@](=O)C1 SSB 3-butylthiolane 1-oxide +C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O SSC (2s,5s)-5-carboxymethylproline +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O SSD 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSE 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC SSF 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O SSG 1,4-dithio-beta-d-glucopyranose +C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O SSH 3-deoxy-d-arabino-hexonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO SSI [(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid +CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C SSJ 2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N SSK (1s,2s)-1,2-diphenylethane-1,2-diamine +CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C SSL (3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate +CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC SSM (2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide +C(CC(=O)O)C=O SSN 4-oxobutanoic acid +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSO 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +CCCSSCCC SSP dithiobis-(propane) +c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl SSQ 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 SSR 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol +c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O SSS n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid +C([C@@H](C([C@H](CO)O)O)O)O SST l-arabinitol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O SSU uridine-5'-phosphorothioate +C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C SSV (3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one +c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F SSW 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +CC(=O)c1cccc(c1)NC(=O)C(F)(F)F SSY ~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide +CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-] ST1 4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid +CC(=O)Nc1c(cc(cc1O)C(=O)O)N ST2 4-(acetylamino)-5-amino-3-hydroxybenzoic acid +CC(=O)Nc1ccc(cc1N)C(=O)O ST3 4-(acetylamino)-3-amino benzoic acid +CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O ST4 4-(acetylamino)-3-guanidinobenzoic acid +CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O ST5 4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid +CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O ST6 4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid +[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC ST7 n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide +c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N ST8 4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide +CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ST9 stearoyl-coenzyme a +CC(C)C[C@@H]([C@H](CC(=O)O)O)N STA statine +c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N STB 4-sulfonamide-[4-(thiomethylaminobutane)]benzamide +c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl STC 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid +C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C STD streptolydigin +CCCCCCCCCCCCCCCCCC(=O)O STE stearic acid +c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F STF (5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O STG estriol 3-(b-d-glucuronide) +c1ccc2c(c1)C(S[C@H](O2)N)O STH 2-amino-4h-1,3-benzoxathiin-4-ol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C STI 4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide +c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F STJ 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide +c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2 STK 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O STL resveratrol +Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC STM methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate +CC(C)C[C@H](CN(C=O)O)C(=O)O STN 2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STO staurosporine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N STP 2'-deoxyadenosine 5'-o-(1-thiotriphosphate) +c1ccc2c(c1)CCC[C@@H]2N STQ (1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C STR progesterone +c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2 STS 2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O STT 2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STU staurosporine +CCS(=O)(=O)NCc1ccc2c(c1)OCO2 STV ~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O STW stachyose +CC(C)(C)c1nnc(o1)C(=O)CNC STX 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O STY tyrosine-o-sulphonic acid +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O STZ streptozotocin +COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N SU0 2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide +Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O SU1 3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone +c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O SU2 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone +CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C SU3 (5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide +C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O SU4 n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3 SU5 1~{h}-indol-2-yl(pyridin-3-yl)methanone +Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O SU6 3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid +c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile +CCCC[C@H](CC(=O)O)C(=O)O SU8 (2r)-2-butylbutanedioic acid +COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2 SU9 (3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one +c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N SUA (4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester +CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C SUB 3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SUC sucrose +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O SUD 4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate +CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1 SUE (1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide +CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O SUF [2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid) +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N SUG n~2~-(3-carboxypropanoyl)-l-arginine +C[C@@H](CC(=O)O)C(=O)O SUH (2s)-2-methylbutanedioic acid +C1[C@@H](C(=O)N(C1=O)CC(=O)O)N SUI (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid +C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O SUJ (2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid +[O-]S(=O)(=O)[O-] SUL sulfate anion +CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N SUN o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN SUO n~2~-(3-carboxypropanoyl)-l-ornithine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O SUP sucrose-6-phoshpate +c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl SUQ 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O SUR 1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O SUS 2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SUT 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5 SUV [(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O SUW me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl SUY (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O SUZ [(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid +c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N SV1 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N SV2 [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) +Cc1cccnc1N2CCCNCC2 SV4 1-(3-methylpyridin-2-yl)-1,4-diazepane +c1ccc(cc1)Cn2ccc3c2C=CNC3=O SV5 1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5 SV6 (1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide +c1ccc(cc1)P(=O)(O)O SV7 phenylphosphonic acid +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O SV8 3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-] SVA serine vanadate +CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S SVB n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide +CC(C)(C)[C@H]1CC(=O)N(N1O)C SVD (5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC SVE n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CC(=O)N1CCC(CC1)Cc2ccc(cc2)F SVF 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone +C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl SVG (~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine +c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F SVH 3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +CN1[C@@H]2CC[C@H]1CC(C2)N SVJ (1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine +c1ccc(cc1)Cc2c[nH]c3c2cccn3 SVK 3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3 SVM 1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea +c1cnc2c(n1)c(cs2)N SVN thieno[2,3-b]pyrazin-7-amine +CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl SVP chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium +c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl SVQ 1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid +Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O SVR 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid +c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O SVS 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +COc1ccc2c(c1)cn[nH]2 SVT 5-methoxy-1~{h}-indazole +C([C@@H](C(=O)O)N)O[P@](=O)(N)O SVV o-[(s)-amino(hydroxy)phosphoryl]-l-serine +C([C@@H](C(=O)O)N)O[P@@](=O)(N)O SVW o-[(r)-amino(hydroxy)phosphoryl]-l-serine +CCO[P@](=O)(C)OC[C@@H](C(=O)O)N SVX o-[(r)-ethoxy(methyl)phosphoryl]-l-serine +CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C SVY o-[bis(1-methylethoxy)phosphoryl]-l-serine +CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N SVZ o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine +c1cc(sc1)c2nc(cs2)CN SW1 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine +c1ccn(c1)c2cccc(c2)CN SW2 1-[3-(1h-pyrrol-1-yl)phenyl]methanamine +Cc1cc(nn1C)CN SW3 1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine +c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO SW4 2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol +c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SW5 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +Cc1ccc(cc1)C(=O)N SW7 4-methylbenzamide +c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SW8 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O SWA 1s-8ab-octahydro-indolizidine-1a,2a,8b-triol +Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O SWB 3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +c1csc2c1ncnc2Cl SWD 4-chloranylthieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SWE alpha-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O SWF s-warfarin +c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O SWG 2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid +[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O SWH {4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC SWI swinholide a +CC(=O)[C@H](CC#C)NC(=O)CN SWJ 2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide +c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SWK 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SWN 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F SWP methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate +CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SWQ 6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O SWS 7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide +Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2 SWT 6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F SWV ~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide +C(CSC[C@H](C(=O)O)N)O SWW (2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid +c1cc(ccc1CO)c2cncnc2 SWX (4-pyrimidin-5-ylphenyl)methanol +COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6 SWY 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione +O=S SX sulfur oxide +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br SX0 (2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name) +c1cc(c(cc1Br)C(=O)O)N SX1 2-amino-5-bromobenzoic acid +c1cc(ncc1Br)NC(=O)CCC(=O)O SX2 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C SX3 4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline +c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl SX4 4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C SX5 4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid +C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C SX6 n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide +CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N SX7 2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide +Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5 SX8 6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline +CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXA thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-] SXC bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+) +CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXD n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N SXE o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F SXG 2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXH s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate +c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O SXI (3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid +C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O SXJ (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid +c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O SXK [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O SXM 3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C SXN salinixanthin +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl SXQ 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O SXR n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide +c1cc2c(cc1N)S(=O)(=O)NC2=O SXS 6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide +CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXV n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide +COc1cc(cc(c1O)OC)\C=C\C(=O)O SXX sinapinate +CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O SXZ (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid +c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N SY1 2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile +CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SY2 n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine +CCCS(=O)(=O)Nc1cc(c(cc1F)F)N SY4 ~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide +CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N SY5 2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid +COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC SY7 2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine +CC(=O)CCCN SY8 5-azanylpentan-2-one +c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5 SY9 strychnine +COc1c(c(cc(c1F)F)C(=O)O)F SYA 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid +c1ccnc(c1)CP(=O)(O)O SYC (pyridin-2-ylmethyl)phosphonic acid +c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O SYD [(5-phenylpyridin-2-yl)methyl]phosphonic acid +c1ccc2c(c1)ccc(n2)CP(=O)(O)O SYE (quinolin-2-ylmethyl)phosphonic acid +CC[C@@H](c1ccccc1O)N SYG 2-[(1~{s})-1-azanylpropyl]phenol +C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SYH 2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one +c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2 SYJ 2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide +C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O SYM 2s,4r-4-methylglutamate +C=Cc1ccccc1 SYN ethenylbenzene +CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SYO [(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate +CCC(=O)NCCNc1cc(ncn1)NCCS SYP n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide +Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2 SYQ (s)-n-(1-cyclopropylethyl)-6-methylpicolinamide +COc1cc(cc(c1O)OC)C(=O)OC SYR syringate +C([C@@H](C(=O)O)N)[Se]CC(=O)N SYS 3-[(2-amino-2-oxoethyl)selanyl]-l-alanine +C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4 SYT (5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium +CN1c2ccc(cc2OC1=O)N SYV 6-azanyl-3-methyl-1,3-benzoxazol-2-one +C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C SYW (r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one +COC(=O)c1c(ccs1)NC(=O)Cc2cccs2 SYY methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate +Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O SYZ n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N SZ0 (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid +C1CCCC(CC1)N SZ1 cycloheptanamine +c1cnccc1c2nc(on2)C3CCCCC3 SZ2 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole +C1CC(CCC1N)O SZ3 trans-4-aminocyclohexanol +COc1cccc(c1)CN SZ4 1-(3-methoxyphenyl)methanamine +Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 SZ5 2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl SZ6 n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide +c1cc(sc1)/C=N/NC(=O)C2CC2 SZ7 ~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide +CN1C[C@@H](C[C@H]1C(=O)OC)N SZ8 methyl (4r)-4-amino-1-methyl-l-prolinate +Cc1cc(c(o1)C)CN SZ9 1-(2,5-dimethylfuran-3-yl)methanamine +c1cc(sc1)CCNC(=O)c2ccncc2 SZA ~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide +C1=CC(=O)NC1=O SZB succinimide +c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F SZC n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F SZD 3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide +CN1CC[N@](CC1=O)c2c(cccn2)F SZE 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F SZG ~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide +C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN SZH (2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F SZJ ~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide +CCn1c2ccccc2nc1NCc3ccco3 SZK (1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee +COc1c2c([nH]cn2)ncn1 SZL 6-methoxy-9h-purine +Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O SZN n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F SZP n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide +COc1cc(ccc1O)/C=C/C(=O)OC SZQ trans-methylferulate +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O SZS methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside +c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O SZV 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid +CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N SZW 3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile +Cc1ccncc1NC(=O)C SZY n-(4-methylpyridin-3-yl)acetamide +C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SZZ sinigrin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T thymidine-5'-monophosphate +c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N T00 n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T01 n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O T02 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1CSc2[nH]cnn2)F T03 3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole +c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F T04 2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C T05 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid +CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O T06 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N T07 5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine +Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O T08 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol +C1CC2=C(NC1)N=C(NC2=O)N T0A 5-deazatetrahydropterin +COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5 T0B [(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl T0D (2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F T0E 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O T0H (1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol +c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N T0I (2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid +c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N T0J n~1~-phenylpiperidine-1,4-dicarboxamide +CC[Hg]Sc1ccccc1C(=O)O T0M thiomersal +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0N ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F T0P [(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0Q ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3 T0R toremifene +CC(=O)NCc1ccc(cc1)S(=O)(=O)N T0S n-[(4-sulfamoylphenyl)methyl]acetamide +c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N T0T (1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol +c1cc(cc(c1)F)CNCc2ccco2 T0V 1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine +CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2 T0W 2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide +c1cscc1CN2CCC(CC2)O T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-ol +c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 T10 [1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F T11 4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine +CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-] T12 1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate +COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F T13 2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide +c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F T14 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene +Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C T15 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide +B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O T16 borolog2 +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C T17 {[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O T18 n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O T19 phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval +CC[As+](CC)(CC)CC T1A tetraethylarsonium ion +CCc1ccc2c(c1)nc([nH]2)c3cnnn3C T1B 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole +CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C T1C tigecycline +COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3 T1D 5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC T1E 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine +C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O T1G (2s,3s)-3-hydroxy-2-methylbutanoyl-coa +CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C T1H 2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide +c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O T1J 2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol +CCN(C)c1cc(nc2n1ccn2)c3ccccc3O T1K 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol +C[C@@H]1[C@H](CCCN1Cc2ccccc2)O T1M (2r,3r)-1-benzyl-2-methylpiperidin-3-ol +C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O T1N (2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid +CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2 T1O 5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T1P 3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F T1Q n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC T1R (1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)Cl)CN2CCOCC2 T1S 4-[(3-chlorophenyl)methyl]morpholine +c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4 T1T 7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2 T1V 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1CCCCN1C(=O)N2CCOCC2 T1W [(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F T1Y 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1n2cc(nn2)CO)Cl)Cl T1Z [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol +c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5 T20 3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide +c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O T21 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one +CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N T22 2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O T23 2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate +CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O T24 (9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid +CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O T25 (9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid +c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O T26 (2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid +Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N T27 4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile +c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N T28 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine +B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O T29 tri166 (bifunctional boronate inhibitor) +Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC T2A 5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine +c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I T2B 4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol +C1CS[C@H](N1)C(=O)O T2C (2s)-1,3-thiazolidine-2-carboxylic acid +c1ccc(cc1)N2CC(=O)NS2(=O)=O T2D 1,2,5-thiadiazolidin-3-one-1,1-dioxide +c1cc(cnc1)CNc2ccc(cc2C(=O)O)N T2E 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid +Cc1cccc(c1)CN2CCN(CC2)C(=O)C T2G 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one +CCOc1cccc(c1)c2nnc(s2)N T2H 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine +CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-] T2J 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl T2K 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid +CC(C)(C)OC(=O)NN(C)C#N T2M tert-butyl 2-cyano-2-methylhydrazinecarboxylate +O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1 T2N 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T2P 3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F T2Q 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C T2R (1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O T2S thymidine-5'-dithiophosphorate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O T2T [(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2 T2V 1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one +C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC T2W [(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate +CC(=O)NCc1ccc2c(c1)OCO2 T2Y n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O T2Z [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O T3 3,5,3'triiodothyronine +CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F T30 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O T31 thymidine 5'-monothiophosphate +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C T32 6'-alpha-methyl carbocyclic thymidine 5'-monophosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O T33 3,3'-deiodo-thyroxine +Cc1ccc(cc1NCc2ccccc2)C(=O)NO T34 4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide +CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC T35 2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T36 split linkage thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N T37 3'-amino-2'deoxythymidine 5'-monophosphate +CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O T38 2'-o-ethoxymethylene thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC T39 2'-o-methoxyethylene thymidine 5'-monophosphate +C(CNC(CO)(CO)CO)CS(=O)(=O)O T3A n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid +CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4 T3B 2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N T3C 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O T3D (~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N T3E 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3F (3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F T3G 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C T3H (2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide +CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F T3J 1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one +C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC T3K 3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one +COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N T3M 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid +CC(=O)Nc1ccc(cc1)OCC(=O)O T3N 2-(4-acetamidophenoxy)ethanoic acid +CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O T3O 4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O T3P thymidine-3'-phosphate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3Q [(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O T3S 5'-deoxy-5'-piperidin-1-ylthymidine +c1ccnc(c1)CNCc2ccc3c(c2)OCO3 T3T 1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F T3V 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(ccc1c2cn3c(n2)CC=NC3=O)I T3W 2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O T3Y 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid +Cc1cccc(n1)C(=O)N[C@H](C)C2CC2 T3Z (r)-n-(1-cyclopropylethyl)-6-methylpicolinamide +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4 T40 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC T41 1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate +B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O T42 morpholino-diphenylalanine-methoxypropylboronic acid +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N T44 3,5,3',5'-tetraiodo-l-thyronine +COC(=O)c1cn[nH]n1 T45 methyl 2h-1,2,3-triazole-4-carboxylate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O T46 dtdp-4-keto-6-deoxyglucose +CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl T47 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O T48 6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O T49 s4'-2'deoxythymidine 5'-monophosphate +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O T4A 3,3',5,5'-tetraiodothyroacetic acid +CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5 T4B ((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N T4D 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile +c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T4F (2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid +Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3 T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine +c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O T4H 3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide +CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 T4J n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T4K (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@@H](c1cccc2c1cccc2)NC(=O)C T4M n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide +COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2 T4N ~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T4P 3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS T4Q 2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide +CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T4S 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one +CCCCCCCCCCCCCCSCC(=O)O T4T 2-tetradecylsulfanylethanoic acid +CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3 T4V 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS T4W 2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide +Cc1ccccc1CN2CCCN(CC2)C(=O)C T4Y 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one +c1cc(ccc1SCC(=O)NCCCS)Cl T4Z 2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide +Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F T50 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T51 n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+] T52 n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T53 n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +c1cscc1[C@@H]2CCC[C@@H]2C(=O)N T54 (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide +CC(C)CCCCCCC(=O)O T55 8-methylnonanoic acid +c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO T56 (e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide +c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T57 n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 T58 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O T5A p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O T5B 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione +C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C T5C 2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium +c1ccnc(c1)C2(CCCC2)CO T5D [1-(pyridin-2-yl)cyclopentyl]methanol +CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C T5E 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone +C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T5F (2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid +c1cc(ccc1S(=O)(=O)N)Br T5G 4-bromobenzene-1-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O T5H 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione +Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C T5J 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T5K [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2 T5M 2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br T5N 2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5O 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T5P 3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F T5Q 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5S 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate +CC(C)(C(=O)NCCS)Oc1ccc(cc1)F T5T 2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1c(cncn1)N T5V pyrimidin-5-amine +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl T5W 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T5X 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol +c1ccnc(c1)O T5Y pyridin-2-ol +CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br T5Z 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO T61 3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N T62 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol +CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O T64 (6-4)photoproduct +CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O T65 2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O T66 2-aminoethyllysine-carbonylmethylene-thymine +CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3 T67 1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one +c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O T68 n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O T6A n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate +c1c(cc(c(c1Cl)O)Cl)Cl T6C 2,4,6-trichlorophenol +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O T6D alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside +c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F T6E 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T6F 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol +CC(C)(C(=O)NCCS)Oc1ccccc1 T6H 2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide +CS(=O)(=O)Cc1[nH]c2ccccc2n1 T6J 2-[(methylsulfonyl)methyl]-1h-benzimidazole +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O T6K (2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl T6M 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +Cc1ccc(cc1)OC(C)(C)C(=O)NCCS T6N 2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O T6P trehalose-6-phosphate +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N T6Q 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O T6S alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside +C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O T6T alpha-d-tagatopyranose +CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2 T6V n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide +CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O T6W 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl T6Y 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +CN1c2ccccc2C(=CC1=O)CP(=O)(O)O T6Z [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C T71 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F T72 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid +C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O T73 (1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate +Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C T74 n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine +CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C T75 tak-715 +c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4 T76 (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone +CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5 T77 6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=O)Nc1nc2c(cccc2s1)OC T7A n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide +CC(=O)N1CCC(CC1)NC(=O)c2ccccc2 T7D n-(1-acetylpiperidin-4-yl)benzamide +CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O T7G 1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide +Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C T7J n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide +c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O T7K neutral yb(iii)-caged complex +CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC T7M (2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O T7O 3-[3-(acetyloxymethyl)phenyl]benzoic acid +CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2 T7P n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide +CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 T7S 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one +C[C@H](c1cccc(c1)Cl)NC(=O)C T7V n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide +CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O T7W (r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC T7X phosphatidylinositol +CC(=O)Nc1cccc(c1)N2CCCC2=O T7Y n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide +Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N T7Z 4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC T80 methylpenta(oxyethyl) heptadecanoate +CC(=O)N1CCN(CC1)Cc2ccc(s2)Br T81 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O T82 (s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium +CC(=O)N1CCN(CC1)Cc2ccsc2 T84 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one +COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO T86 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N T87 [(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O T88 n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3 T8A 1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one +COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC T8B thermorubin +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl T8D 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2 T8G (2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC(=O)N1CCN(CC1)C(=O)c2cccs2 T8J 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S T8L thio-phosohothreonine +CC(=O)N1CCN(CC1)Cc2cccs2 T8M 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +COC(=O)C/C(=C\C(=O)O)/C(=O)O T8N (2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC T8P 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one +CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C T8S 1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N T8T 2'-deoxyguanosine-5'-o-(1-thiotriphosphate) +CC(=O)Nc1cccnc1Cl T8V n-(2-chloropyridin-3-yl)acetamide +c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-] T8W 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate +CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O T8X 2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside +CC(=O)N1CCN(CC1)C(=O)C T8Y 1,1'-(piperazine-1,4-diyl)di(ethan-1-one) +Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5 T8Z 2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole +Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C T90 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone +CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 T91 n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl T92 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate +CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O T93 [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid +CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O T94 1-(3,4,5-trihydroxyphenyl)nonan-1-one +CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C T95 n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide +CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O T97 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C T98 5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N T99 adenosine-5'-sp-alpha-thio-triphosphate +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C T9A (5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2 T9B (2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide +c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F T9D 5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one +C[C@H]([C@@H](C(=O)O)N)[SeH] T9E selenothreonine +CC[C@H](c1ccccc1O)N T9G 2-[(1r)-1-aminopropyl]phenol +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6 T9H 2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr T9J nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide +COC(=O)COc1ccc(cc1)C#N T9K methyl 2-(4-cyanophenoxy)ethanoate +C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O T9M n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N T9N 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C T9P n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide +COCC(=O)NCc1ccccc1 T9Q n-benzyl-2-methoxyacetamide +CCOC(=O)N1Cc2ccncc2C1 T9S ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate +c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3 T9T triphenylstannanyl +CC(=O)Nc1ccc(cc1)OC T9V n-(4-methoxyphenyl)acetamide +c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] T9W 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate +CCOC(=O)c1cn[nH]c1C(F)(F)F T9Y ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3 T9Z 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol +[Ta] TA0 tantalum +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C TA1 taxol +c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 (2r,3s)-3-amino-3-phenylpropane-1,2-diol +C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O TA3 (4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one +CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN TA4 (s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid +c1c(n[nH]n1)CO TA5 2h-1,2,3-triazol-4-ylmethanol +C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O TA6 6-o-phosphono-beta-d-tagatofuranose +COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F TA7 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione +C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O TA8 polyacrylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O TA9 9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide +c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F TAA [4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester +CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl TAB acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O TAC tetracycline +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N TAD beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide +CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O TAE n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F TAF 2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O TAG d-tagatose +c1ccc(cc1)COc2ccccc2C(=O)NN TAH 2-(benzyloxy)benzohydrazide +C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O TAJ taccalonolide aj +c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5 TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O TAL 9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine +C(CO)C(CCO)(CCO)N TAM tris(hydroxyethyl)aminomethane +CC(C)(C)C#N TAN 2,2-dimethylpropanenitrile +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C TAO troleandomycin +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N TAP 7-thionicotinamide-adenine-dinucleotide phosphate +c1cc2c(cc1N)c(nc(n2)N)N TAQ 2,4,6-triaminoquinazoline +[C@H]([C@@H](C(=O)O)O)(C(=O)O)O TAR d(-)-tartaric acid +O[As](O)O TAS trihydroxyarsenite(iii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N TAT adenosine-5'-rp-alpha-thio-triphosphate +C(CS(=O)(=O)O)N TAU 2-aminoethanesulfonic acid +CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4 TAV n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N TAW futibatinib +CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3 TAX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium +CC(C)(C)C(=O)N TAY 2,2-dimethylpropanamide +C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 TAZ tazobactam +[Tb+3] TB terbium(iii) ion +CC(C)(C)[N+]#[C-] TB0 tert-butyl isocyanide +c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O TB1 (3s)-3-(benzyloxy)-l-aspartic acid +CC(C)(C)c1ccc(cc1)CC=O TB2 (4-tert-butylphenyl)acetaldehyde +c1ccn(c1)c2ccc(cc2)N3CCOCC3 TB5 4-(4-pyrrol-1-ylphenyl)morpholine +C[C@H](CP(=O)(O)O)O TB6 [(2r)-2-hydroxypropyl]phosphonic acid +CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2 TB7 tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate +c1ccc(c(c1)/C=C/C(=O)NO)Cl TB8 (~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TB9 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +CCCC[N+](CCCC)(CCCC)CCCC TBA tetrabutylammonium ion +CC(C)(C)NC(=O)O TBB tert-butylcarbamic acid +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O TBC (9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene +[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O TBD 2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp) +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O TBE tazobactam intermediate +CC(C)(C)OC=O TBF tert-butyl formate +CC(C)(C)[C@@H](C(=O)O)N TBG 3-methyl-l-valine +CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O TBH 5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O TBI tazobactam trans-enamine intermediate +C1CCC(C1)NC(=O)NC[C@H]2CCCO2 TBJ n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5 TBK ~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC TBL n-[(4-methoxyphenyl)sulfonyl]-d-alanine +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TBM 4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O TBN '2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S TBO 5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1c(cc(c(c1Br)O)Br)Br TBP 2,4,6-tribromophenol +CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBQ (3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6 TBR hexatantalum dodecabromide +c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 TBS 4,5,6,7-tetrabromobenzotriazole +c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O TBT 8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol +CC(C)(C)O TBU tertiary-butyl alcohol +Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O TBV 3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBX (3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +CCCC[Sn](CCCC)CCCC TBY tributylstannanyl +COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+] TBZ 2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole +C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O TC 4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one +c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O TC0 4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol +c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O TC1 3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O TC2 n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide +CCO[P@@](=O)(NC)O TC3 ethyl hydrogen methylamidophosphate +CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC TC4 butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group +CCCN[P@](=O)(O)OCC TC5 ethyl hydrogen propylamidophosphate +CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O TC6 (2e)-hexenoyl-coa +c1c(c(cc(c1Cl)Cl)Cl)O TC7 2,4,5-trichlorophenol +CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F TC8 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one +C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TC9 d-tubocurarine +c1ccc(cc1)\C=C\C(=O)O TCA phenylethylenecarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O TCB thiocellobiose +c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O TCC 2-(2,4-dichloro-phenylamino)-phenol +c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl TCD 3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine +C(CP(CCC(=O)O)CCC(=O)O)C(=O)O TCE 3,3',3''-phosphanetriyltripropanoic acid +c1cc(ccc1CCC(=O)N)Br TCF 3-(4-bromophenyl)propanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O TCG 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C TCH taurocholic acid +CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O TCI (6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O TCJ [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl TCK n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl TCL triclosan +CC1([C@@H]2CC[C@]1(C(=S)C2)C)C TCM thiocamphor +C(#N)[Ni-2](C#N)(C#N)C#N TCN tetracyanonickelate ion +CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 TCO tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O TCP 5'-methylthymidine +c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N TCQ (1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium +c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O TCR cyclomethyltryptophan +c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O TCT 6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C TCU 5-hexyl-2-(2-methylphenoxy)phenol +C(=C(Cl)Cl)Cl TCV 1,1,2-trichloroethene +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] TCW tolcapone +CCNP(=O)(O)O TCX ethylphosphoramidic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N TCY (2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate +c1c(cc(cc1Cl)Cl)Cl TCZ 1,3,5-trichloro-benzene +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O TD1 o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O TD2 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +C(CCO)CN(C(=O)COP(=O)(O)O)O TD3 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O TD4 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD5 (4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD6 (4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid +Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C TD7 (4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD8 (5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD9 (5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +CCCCCCCCCCCCC(=O)O TDA n-tridecanoic acid +B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O TDB 6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol +Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O TDC 5a,6-anhydrotetracycline +CC(C)(C)[C@H](C(=O)O)N TDD (2r)-2-amino-3,3-dimethyl-butanoic acid +CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O TDE (e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide +c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F TDF 4-(trifluoromethyl)-d-phenylalanine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O TDG thiodigalactoside +c1cc(ccc1c2cnnn2c3ccc(cc3)O)O TDH 4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol +CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N TDI (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12 TDJ [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O TDK 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O TDL 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C TDM 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate +CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O TDN 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O TDO dtdp-4-keto-l-rhamnose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-] TDP thiamin diphosphate +CC1=CNC(=O)NC1=O TDR thymine +CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C TDS 8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one +c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S TDT 1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct +c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2 TDU 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea +c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F TDV 1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O TDW 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O TDX thymidine-5'-diphospho-beta-d-xylose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC TDY 5-(methylamino)thymidine 5'-(dihydrogen phosphate) +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C TDZ (5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione +[TeH2] TE tellurium +CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O TE1 (2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid +CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C TE2 3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide +CCCCNc1ccc(cc1)C(=O)OCCN(C)C TE4 tetracaine +COc1cc(nc(n1)N)c2ccccc2 TE5 4-methoxy-6-phenyl-pyrimidin-2-amine +O[Te](O)(O)(O)(O)O TE6 orthotelluric acid +CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC TE7 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one +C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2 TE8 (2~{r})-2-(4-phenylphenoxy)propanoic acid +CC[NH+](CC)CC TEA triethylammonium ion +C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O TEB (4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O TEC 2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O TED 5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) +C(=CS)N TEE 2-amino-ethenethiol +c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2 TEF 4-(2h-tetrazol-2-yl)-l-phenylalanine +C(COCCOCC(=O)O)O TEG [2-(2-hydroxyethoxy)ethoxy]acetic acid +c1ccc(cc1)OCC(=O)N2CCNC(=O)C2 TEH 4-(2-phenoxyethanoyl)piperazin-2-one +Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O TEI 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid +C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C TEJ (1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one +CCn1c2ccccc2nc1NC(=O)C TEK ~{n}-(1-ethylbenzimidazol-2-yl)ethanamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C TEL telithromycin +C(C=O)C(CN\C=C\C=O)O TEM n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine +CCOP(=O)(OCC)OCC TEN triethyl phosphate +C(=C(\O)/[O-])\[C@H](C(=O)[O-])O TEO malate like intermediate +CN1c2c([nH]cn2)C(=O)N(C1=O)C TEP theophylline +Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N TEQ 5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine +C(CCNCCCNCCCN)CN TER n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C TES testosterone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O TET uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O TEU 1-o-alpha-d-glucopyranosyl-d-fructose +CC1=NC(=O)N=C(C1)C(=O)O TEV 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid +[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O] TEW 6-tungstotellurate(vi) +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO TEX (2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C TEY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol +CC(=O)Nc1ccc2c(c1)nsn2 TEZ n-(2,1,3-benzothiadiazol-5-yl)acetamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O TF0 2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose +C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N TF1 4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile +CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O TF2 (n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN TF3 n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide +C(C(=O)O)(Cl)Cl TF4 dichloro-acetic acid +c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO TF5 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O TF6 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O TF7 (3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine +C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O TF8 (2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid +C(=O)(C(F)(F)F)O TFA trifluoroacetic acid +C1C[C@H](OC1)C(=O)O TFB tetrahydrofuran-2-carboxylic acid +CCCCCCCCSCC(=O)C(F)(F)F TFC 1,1,1-trifluoro-3-(octylthio)acetone +Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl TFD n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F TFE 2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O TFF 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O TFG 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol +N#N TFH nitrogen of trifluoro-ethylhydrazine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N TFI 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide +CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O TFJ (1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2 TFK 3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide +C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O TFL 2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium +CCSC(=Nc1ccc(cc1)C(F)(F)F)N TFM s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N TFN n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O TFO [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F TFP 10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine +c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F TFQ 4-(2,2,2-trifluoroethyl)-l-phenylalanine +C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N TFR (2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid +C(F)(F)(F)S(=O)(=O)O TFS trifluoromethanesulfonic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O TFT (l)-alpha-threofuranosyl-thymine-3'-monophosphate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O TFU methyl 1-seleno-beta-l-fucopyranoside +Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl TFV n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C TFY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol +c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F TFZ n-phenyl-2-(trifluoromethyl)benzamide +c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N TG 2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one +Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O TG0 (2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O TG1 octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester +c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O TG2 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2 TG3 ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N TG4 2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide +CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N TG5 2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O TG6 6-o-phosphono-d-tagatose +c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TG7 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O TG8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O TGA 2-sulfanylethyl beta-d-galactopyranoside +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S TGB [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O TGC 3-thiaglutaryl-coa +CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O TGD 1-deoxy-d-tagatose +CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC TGE 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N TGF 2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid +C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N TGG gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O TGH 6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan +CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O TGJ 1-deoxy-l-tagatose +C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O TGK 1-deoxy-beta-l-tagatopyranose +CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC TGL tristearoylglycerol +c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O TGM 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC TGN 3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N TGP 5'-thio-2'-deoxy-guanosine phosphonic acid +CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O TGQ (2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O TGR 1-deoxy-alpha-d-xylo-hex-3-ulofuranose +C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O TGS 1-deoxy-d-xylo-hex-3-ulose +CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N TGT tagetitoxin +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O TGU trigalacturonic acid +c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TGV 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid +CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl TGW (2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one +Cc1ccc2c(c1)SCC(=O)N2 TGX 7-methyl-2h-1,4-benzothiazin-3(4h)-one +C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O TGY 1-deoxy-alpha-d-tagatopyranose +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O TGZ (2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +[Th+4] TH thorium ion +c1cc(c(cc1O)O)S TH0 4-mercaptobenzene-1,3-diol +Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O TH1 (1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C TH2 testosterone hemisuccinate +CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O TH3 trans delta2 palmitenoyl-coenzymea +c1cc(ncc1CN\2CCS/C2=N\C#N)Cl TH4 {(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide +C[C@H]([C@@H](C(=O)O)N)OC(=O)C TH5 o-acetyl-l-threonine +C([C@H]([C@@H](C(=O)O)N)O)O TH6 4-hydroxy-l-threonine +c1cc(c(cc1O)O)SO TH7 2,4-dihydroxybenzenesulfenic acid +CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O TH8 thiamphenicol +CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O TH9 (2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)N THA tacrine +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O THB tetrahydrobiopterin +C[C@H]([C@@H](C(=O)O)NC(=O)C)O THC n-methylcarbonylthreonine +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C THD 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate +C([C@H]([C@@H](C(=O)[O-])O)O)O THE threonate ion +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N THF 5-hydroxymethylene-6-hydrofolic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N THG (6s)-5,6,7,8-tetrahydrofolate +CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O THH n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3 THI thiazolo-3-phenylisoindol-1-one +[O-]S(=O)(=O)[S-] THJ thiosulfate +c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F THK 4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N THL n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O THM thymidine +C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 THN 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +C[C@H]([C@@H](CO)N)O THO reduced threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O THP thymidine-3',5'-diphosphate +Cc1c(scn1)CCOP(=O)(O)O THQ phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester +C[C@H]([C@@H](C(=O)O)N)O THR threonine +C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 l-threonine c-terminal deprotonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H l-threonine c-terminal protonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 l-threonine-c-terminal protonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)O)N)O THR_LFOH l-threonine free neutral +C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 l-threonine-free neutral/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW l-threonine free zwitterion +C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 l-threonine-free zwitterion/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL l-threonine - linking embedded fragment +C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 l-threonine-linking embedded fragment/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 l-threonine n-terminal protonated fragment +C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 l-threonine-n-terminal protonated fragment/with side chain deprotonated og1 +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O THS thymidine-5'-(dithio)phosphate +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C THT trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester +C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O THU tetrahydrodeoxyuridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O THV c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O THW c2-1-hydroxyphenyl-thiamin diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O THX phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester +CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O THY c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N THZ 1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine +CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S TI1 [2(r,s)-2-sulfanylheptanoyl]-phe-ala +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S TI2 (2-sulfanyl-3-phenylpropanoyl)-phe-tyr +c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S TI3 [(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline) +c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4 TI4 (2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane +Cc1ccccc1c2cccc(c2)C(=O)O TI7 3-(2-methylphenyl)benzoic acid +C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O TI8 3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate +c1cc(cnc1)C#C[C@@H]2CCCN2 TI9 3-[(2s)-pyrrolidin-2-ylethynyl]pyridine +C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O TIA 2-(1,5-dideoxyribose)-4-amido-thiazole +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C TIB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl TIC ticlopidine +c1cc(ccc1c2nnc(s2)N)C(=O)O TID 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N TIF n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN TIG n-(2-aminoethyl)-l-tryptophan +c1cc(sc1)C[C@@H](C(=O)O)N TIH beta(2-thienyl)alanine +CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C TII (5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane +c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O TIL [2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii) +CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O TIM (2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol +CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O TIN 2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid +c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O TIO (2-mercaptomethyl-3-phenyl-propionyl)-glycine +CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F TIQ ticagrelor +C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O TIR tirandamycin e +CC(O)(O)OC[C@@H](C(=O)O)N TIS o-(1,1-dihydroxyethyl)-l-serine +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O TIT n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide +C(=O)(N)NC(=O)NC(=O)N TIU tricarbonodiimidic diamide +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5 TIV (3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione +c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O TIY 2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N TIZ (1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol +CC(C)C1=NOC(=O)N1 TJ1 3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one +CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O TJ2 3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C TJ3 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +CC1=C(NC(=O)N=C1C)C(=O)O TJ4 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O TJ5 (2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C TJ7 (2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid +c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O TJB 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde +COC(=O)C1=NC(=O)Nc2c1cccc2 TJD methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate +C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O TJE (2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N TJF 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O TJG 7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide +c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl TJH 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione +C1=C(NC(=O)N=C1)C(=O)O TJJ 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O TJK 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde +Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N TJM 5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide +COC(=O)C1=CC=NC(=O)N1 TJP methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate +C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O TJS 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid +c1cc2c(cc1C(=S)N)OCO2 TJV 1,3-benzodioxole-5-carbothioamide +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TJW 5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C(=NC(=O)N2)C(=O)O TJY 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6 TJZ ~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide +CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5 TK1 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione +Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN TK2 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine +C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TK3 (1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O TK4 2-acetylamino-napthalene-1,5-disulfonic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TK5 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N TK7 diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O TK8 d-xylonic acid +CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O TK9 (2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKA (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N TKB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide +C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKD (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N TKE 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea +CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C TKG 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone +c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O TKH [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol +c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F TKJ 4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione +c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br TKK 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N TKL (2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid +COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4 TKN methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl TKP 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N TKQ 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl TKS 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4 TKT (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl TKV n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O TKW 5-hydroxycytidine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC TKY 14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O TKZ (((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid +[Tl+] TL thallium (i) ion +c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N TL1 2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N TL2 2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N TL3 2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N TL4 2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C TL5 (5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one +CC1=C([C@@](SC1=O)(C)\C=C\C=C)O TL6 (5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC TL7 [5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COc1cc(ccc1C=O)n2ccnc2c3ccccc3 TL8 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +[C@@H]([C@H](C(=O)O)O)(C(=O)O)O TLA l(+)-tartaric acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O TLB 2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O TLC 2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate +Cc1ccc(c(c1)S)S TLD 4-methylbenzene-1,2-dithiol +CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLE (5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +Cc1c(cccc1Cl)Nc2ccccc2C(=O)O TLF 2-[(3-chloro-2-methylphenyl)amino]benzoic acid +C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C TLG (5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C TLH (5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one +CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLJ (5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one +COc1cc(ccc1n2ccnc2c3ccccc3)C=O TLK 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TLL n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid +CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O TLM thiolactomycin +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O TLN [(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O TLO 5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O TLP 3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid +c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O TLQ 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde +CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C TLS 4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid +Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O TLT tolmetin +c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N TLV (2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid +C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O TLW (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid +CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N TLX n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine +CC(=S)NCCCC[C@@H](C(=O)O)N TLY (2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid +C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O TLZ d-altritol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N TM1 2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O TM2 5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate) +Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO TM3 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol +CC1=C(C(=S)C=CO1)O TM4 3-hydroxy-2-methyl-4h-pyran-4-thione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O TM5 thio-maltopentaose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O TM6 thio-maltohexaose +CC1=CC(=S)C(=CO1)O TM7 5-hydroxy-2-methyl-4h-pyran-4-thione +c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 TM8 nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide +[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N TM9 (2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol +C[N+](C)(C)C TMA tetramethylammonium ion +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TMB n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O TMC 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O TMD (6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine +CCC TME propane +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N TMF 5,10-methylene-6-hydrofolic acid +c1ccc2c(c1)[nH]c(n2)c3cscn3 TMG 2-(1,3-thiazol-4-yl)-1h-benzimidazole +CC1=CC[C@@H]2C[C@H]1C2(C)C TMH (+)-alpha-pinene +c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4 TMI 1-[phenyl-(4-phenylphenyl)-methyl]imidazole +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl TMJ n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +[CH3].[CH3].[CH3] TML methyl part of n-trimethyllysine +c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O TMM 1,3,5-benzenetricarboxylic acid +C(C(CO)(CO)N)O TMN tris(hydroxymethyl)aminomethane +C[N+](C)(C)[O-] TMO trimethylamine oxide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O TMP thymidine-5'-phosphate +Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC TMQ trimetrexate +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC TMR 2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose +COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO TMS n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide +Cc1csc([n+]1C)C TMT 2,3,4-trimethyl-1,3-thiazole +COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] TMU n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O TMV thiamine-phosphovanadate +C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O TMX 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose +CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC TMY ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate +Cc1c(sc[n+]1C)C TMZ 3,4,5-trimethyl-1,3-thiazole +c1cc2c(c(c1)O)CCCC2 TN1 5,6,7,8-tetrahydronaphthalen-1-ol +c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl TN2 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol +CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl TN3 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide +CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C TN4 (1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate +c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl TN5 2-(4-amino-2-chlorophenoxy)-5-chlorophenol +CCN(CC)P(=O)(O)O TN6 diethylphosphoramidic acid +CCN[P@](=O)(O)OCC TN7 ethyl hydrogen ethylamidophosphate +c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N TN8 ~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N TNA n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid +c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] TNB s-(2,3,6-trinitrophenyl)cysteine +CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O TNC 4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O TND n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN1[C@H]2CC[C@@H]1CC(=O)C2 TNE 8-methyl-8-azabicyclo[3,2,1]octan-3-one +c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] TNF picric acid +C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] TNG propane-1,2,3-triyl trinitrate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4 TNH n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide +Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN TNJ 7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one +CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3 TNK 6-benzyl-1-benzyloxymethyl-5-isopropyl uracil +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] TNL 2,4,6-trinitrotoluene +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O TNM [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid +C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O TNN (1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione +Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C TNP 3,5,6,8-tetramethyl-n-methyl phenanthrolinium +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O TNQ 6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O TNR o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine +CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-] TNS n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid +c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N TNT 1,3-bis(amidinophenoxy)propane +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O TNV [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate +Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl TNW 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one +CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO TNX 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol +C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C TNY (2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name) +COc1nc2ccc(cc2c(n1)c3ccccc3)Cl TNZ 6-chloranyl-2-methoxy-4-phenyl-quinazoline +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N TO1 4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O TO2 (1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F TO3 n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide +CC(C)O[P@](=O)(CCCCCCCCCCC=C)F TO4 propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3 TO5 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-] TO7 (4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl TO8 7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O TOA 3-ammonio-3-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+] TOB 1,3-diamino-5,6-dihydroxycyclohexane +C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+] TOC 2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O TOD (2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid +COCCOCCOCCO TOE 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl +CN1C2=NC(=O)N(C(=O)C2=NC=N1)C TOF 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TOG 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid +c1ccc(c(c1)C=CC(=O)C(=O)O)O TOH (3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid +[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C TOI (1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-] TOJ (4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O TOK (3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol +CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC TOL tolrestat +COc1ccccc1C=CC(=O)C(=O)O TOM 4-(2-methoxyphenyl)-2-oxobut-3-enoic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO TON 2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol +COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N TOP trimethoprim +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O TOQ 6,7-dihydroxy-l-tryptophan +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C TOR [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate +Cc1ccc(cc1)[S@@](=O)O TOS p-sulfinotoluene +CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8 TOT 1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium +C(=S)(N)N TOU thiourea +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O TOV n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO TOW 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one +c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N TOX 1-hydroperoxy-l-tryptophan +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N TOY tobramycin +c1c(nc(o1)c2csc(n2)CN)C(=O)O TOZ 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid +CN(C)CCC=C1c2ccccc2CCc3c1cccc3 TP0 amitriptyline +CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O TP1 2-(methylamino)-ethylglycine-carbonylmethylene-thymine +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS TP2 n-[tosyl-d-prolinyl]amino-ethanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TP3 4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O TP4 n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid +[H]/N=C(\c1ccsc1)/N TP5 thiophene-3-carboximidamide +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O TP6 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O TP7 coenzyme b +[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C TP8 5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C TP9 (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate +c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA trans-2-phenylcyclopropylamine +Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C TPB 4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O TPC 5'-thio-2'-deoxy-cytosine phosphonic acid +c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N TPD n-(2-thienylmethyl)-2,5-thiophenedisulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C TPE 3'-o-acetylthymidine-(5' diphosphate phenyl ester) +c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O TPF 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol +CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O TPG 2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine +c1ccc(cc1)C[C@@H](C(O)O)N TPH 2-amino-3-phenyl-propane-1,1-diol group +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N TPI 4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid +CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O TPJ (5r)-5-tert-butyl-l-proline +C1C[C@H](NC1)[C@H](CO)O TPK (1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N TPL tryptophanol +c1cc(ccc1CNC2=[NH+]CCCC2)N TPM 2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium +CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O TPN 2-aminoethylglycine-carbonylmethylene-thymine +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O TPO phosphothreonine +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPP thiamine diphosphate +C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N TPQ 5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TPR tosyl-d-proline +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O TPS thiamin phosphate +C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl TPT 2,2':6',2''-terpyridine platinum(ii) chloride +Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPU 2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate +CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 TPV n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide +Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C TPW 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O TPX (2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O TPY (2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O TPZ o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine +c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO TQ1 5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one +Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C TQ2 (2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid +c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ3 5-phenylsulfanyl-2,4-quinazolinediamine +Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ4 5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine +CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ5 5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine +c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N TQ6 5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine +CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br TQ7 5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl TQ8 n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide +C(CC(=O)O)C(=O)CCl TQ9 5-chloro-4-oxopentanoic acid +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O TQA n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3 TQB 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one +CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC TQD (2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine +CCOC1=NC(=NC(=O)N1)N(C)C TQE 4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one +c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TQG n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid +Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3 TQH ~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl TQI n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan +c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O TQJ n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide +Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 TQK 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O TQL 4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol +c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O TQM {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid +CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O TQN [(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O TQP (2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N TQQ (s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid +Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C TQS (4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N TQT 6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine +c1cc2c(cc1N)c(ccn2)n3cncn3 TQU 4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine +Cc1ccccc1OP(=O)(O)OCc2ccccc2O TQV o-cresyl-saligenin phosphate +COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O TQW 4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C TQX (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O TQY 6-o-octanoyl-alpha-d-glucopyranose +C([C@@H](C(=O)O)N)SSSSS TQZ 2-amino-3-pentasulfanylpropan-1-ol +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O TR0 (4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2 TR1 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester +c1cnc2ccsc2c1O TR2 thieno[3,2-b]pyridin-7-ol +CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4 TR3 n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide +CSc1c(c(n(n1)c2ccccc2)N)C#N TR4 5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N TR5 5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O TR6 trovafloxacin +COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N TR7 methyl l-tryptophanate +[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O TR8 (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) +CC1=C(C(=O)C[C@@H](C1=O)O)O TR9 (5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione +C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-] TRA aconitate ion +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TRB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +C(C(CC(=O)O)C(=O)O)C(=O)O TRC tricarballylic acid +CCCCCCCCCCCCC TRD tridecane +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O TRE trehalose +c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N TRF n1-formyl-tryptophan +CN(C)CCCC[C@@H](C(=O)O)N TRG l-(n,n dimethyl)lysine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O TRH 2'-deoxy-thymidine-beta-l-rhamnose +c1[nH]cnn1 TRI 1,2,4-triazole +c1cc(cc(c1)CN)CN TRJ meta-di(aminomethyl)benzene +C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C TRK tirandamycin d +CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C TRL {1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester +c1ccc2c(c1)[nH]c(n2)C(=O)O TRM 1h-benoximidazole-2-carboxylic acid +c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N TRN nz2-tryptophan +c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N TRO 2-hydroxy-tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2 l-tryptophan c-terminal deprotonated fragment +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H l-tryptophan c-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H_DHE1 l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2_DHE1 l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP_LFOH l-tryptophan free neutral +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N TRP_LFOH_DHE1 l-tryptophan-free neutral/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW l-tryptophan free zwitterion +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW_DHE1 l-tryptophan-free zwitterion/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-] TRP_LL l-tryptophan - linking embedded fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-] TRP_LL_DHE1 l-tryptophan-linking embedded fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3 l-tryptophan n-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3_DHE1 l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1 +c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N TRQ 2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid +COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N TRR 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium +C(C(CO)(CO)[NH3+])O TRS 2-amino-2-hydroxymethyl-propane-1,3-diol +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC TRT fragment of triton x-100 +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl TRU 6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O TRV 6-o-octanoyl-beta-d-fructofuranose +c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N TRW trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol +c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N TRX 6-hydroxytryptophan +c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N TRY (2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid +Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C TRZ trazeolide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O TS thymidine-5'-thiophosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O TS0 4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O TS1 4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N TS2 2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N TS3 bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine +C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN TS4 glutathionylspermidine disulfide +C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN TS5 glutathionylspermidine +OP(=O)(O)S TS6 monothiophosphate +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C TS8 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose +C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O TS9 (2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSA 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O TSB 5'-o-(n-(l-threonyl)-sulfamoyl)adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O TSC (1s)-1-amino-2-(1h-indol-3-yl)ethanol +[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C TSD 3-trimethylsilyl-propionate-2,2,3,3,-d4 +C(C(=O)O)P(=S)(O)O TSE thiophosphonoacetic acid +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O TSF 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate +[H]/N=C\Cc1c[nH]c2c1cccc2 TSH 2-(1h-indol-3-yl)ethanimine +C[C@H]([C@](C)(CN)O)O TSI (2s,3r)-1-amino-2-methylbutane-2,3-diol +Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O TSJ 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid +Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC TSK 3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione +CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O TSL trans-enamine intermediate of sulbactam +CC(C)(C)S(=O)(=O)O TSM 2-methylpropane-2-sulfonic acid +C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C TSN trichostatin a +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSO (1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S TSP 3'-thio-thymidine-5'-phosphate +C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N TSQ 4-(trimethylsilyl)-l-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N TSR 2-(1h-indol-3-yl)acetamide +c1ccc2c(c1)c(c[nH]2)CCN TSS 2-(1h-indol-3-yl)ethanamine +Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O TST 4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid +Cc1ccc(cc1)S(=O)(=O)O TSU para-toluene sulfonate +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6 TSV (2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C TSX n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide +C([C@@H](C(=O)O)N)SSS TSY (2s)-2-amino-3-trisulfanylpropanoic acid +C(=S)(N)NN TSZ hydrazinecarbothioamide +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C TT [(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4 TT1 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole +C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TT2 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1ccc(cc1)n2c(nc(n2)N)N TT4 1-phenyl-1h-1,2,4-triazole-3,5-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O TT7 4-o-phosphono-beta-d-fructofuranose +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O TT8 (2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 TTA tetraphenyl-arsonium +C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C TTB 4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O TTC (s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C TTD cis-syn cyclobutane thymine dimer +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O TTE phosphomethyl phosphonic acid deoxythymidylate ester +c1cc(sc1)C(=O)CC(=O)C(F)(F)F TTF 4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione +CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O TTG 2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C TTH 2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene +C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O TTI 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C TTJ (2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide +c1ccc2c(c1)CC[C@@H]([C@H]2O)N TTL trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C TTM n3-ethyl-thymidine-5'-monophosphate +C(C(=O)[O-])(C(=O)[O-])O TTN tartronate +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O TTO (3,4-dihydroxy-phenyl)-triphenyl-arsonium +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O TTP thymidine-5'-triphosphate +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N TTQ 6-amino-7-hydroxy-l-tryptophan +CC(=O)n1c2ccccc2c3c1C(=O)CCC3 TTR 9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one +c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O TTS 3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N TTT 5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide +C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O TTV beta-d-psicofuranose +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O TTW 5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine +C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C TTX tentoxin +c1c(c2c(o1)CCCC2=O)C(=O)O TTY 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O TTZ n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha- d-glucopyranosylamine +c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O TU0 (e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F TU1 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F TU2 [3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC TU3 [6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O TU4 3-o-octanoyl-alpha-d-glucopyranose +c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl TU7 (2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone +c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F TU8 (3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O TUA prednisolone +C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TUB (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium +c1cc2cnccc2c(c1)OCC(=O)O TUC (isoquinolin-5-yloxy)acetic acid +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C TUD taurochenodeoxycholic acid +C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N TUE 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUG 3,4-di-o-sulfo-alpha-d-altropyranose +CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C TUH 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O TUI 2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUJ 1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose +CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N TUK 2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal +C1=CNC(=S)NC1=O TUL 2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O TUM tunicamycin +CCN(CC)[P@](=O)(O)OCC TUN ethyl hydrogen diethylamidophosphate +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N TUO 2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O TUP 3-deoxy-3-fluoro-alpha-d-glucopyranose +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl TUQ 4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O TUR 3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose +CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO TUS (4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl TUT 5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C TUV vamorolone +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TUW 6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO TUX 1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O TUY (3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O TUZ 1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O TV1 n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N TV2 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F TV4 n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O TV5 (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O TV7 (1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC TV8 (2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol +CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O TVA n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline +C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O TVB 4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde +c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O TVC 3-naphthalen-2-ylbenzoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O TVD n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine +C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O TVE (2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O TVG propyl beta-d-galactofuranoside +c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO TVH (3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TVK (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O TVM 3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC TVN n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide +C[C@H]1CCc2ccccc2N1C(=O)C TVP (2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline +CS(=O)CCCN=C=S TVQ 1-isothiocyanato-3-methylsulfinyl-propane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O TVS prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside +Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F TVT 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile +CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC TVU n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide +C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O TVV 3-o-prop-2-yn-1-yl-beta-d-galactopyranose +c1c2c(ncnc2n[nH]1)N TVW 1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O TVY (1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N TVZ 3-(4-aminocarbonylphenyl)benzoic acid +Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N TW2 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl TW5 (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide +C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O TW7 2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride +c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O TW8 4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TWA 2,3,4-tri-o-sulfo-beta-d-altropyranose +Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O TWB [(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O TWD 2,3-di-o-sulfo-alpha-l-glucopyranose +c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N TWE 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S TWG 6-thio-alpha-d-mannopyranose +C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N TWH 4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O TWJ 1-thio-beta-d-talopyranose +Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F TWK 4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1 TWL ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate +CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWM 4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C TWN (3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate +COc1ccc(cc1OC)C(=O)O TWO 3,4-dimethoxybenzoic acid +c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO TWP n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide +CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O TWQ 3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde +c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO TWS n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide +CCCCCCCCCCCCCCCCCCCCCC TWT docosane +CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWV 4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS TWW (2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S TWY 4-thio-beta-d-xylopyranose +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O TWZ exostwz molecular tweezer +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-] TX1 2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O TX2 5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl TX3 2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate +C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O TX4 l-threonohydroxamate 4-phosphate +C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C TX5 (1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol +Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C TX6 (6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-] TX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate +C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O TXA threonylcarbamoyladenylate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S TXB 4-deoxy-4-thio-alpha-d-xylopyranose +CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N TXC 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N TXD 1,4,5,6-tetrahydronicotinamide adenine dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N TXE [[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O TXF (z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5 TXG (3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O TXI (2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O TXL taxotere +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O TXM (2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO TXN (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N TXP 1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O TXS 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO TXT 4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +CCCc1cc2c(c(n1)C)C=CC(=O)N2 TXW 5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one +C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O TXY 3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O TXZ o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N TY0 (3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N TY1 o-tert-butyl-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TY2 3-amino-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TY3 3-hydroxy-l-tyrosine +Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br TY4 4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate +c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N TY5 o-benzyl-l-tyrosine +c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N TY8 2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N TY9 3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O TYA phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester +c1cc(ccc1C[C@@H](C=O)N)O TYB tyrosinal +c1cc(ccc1C[C@@H](C(=O)N)N)O TYC l-tyrosinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O TYD thymidine-5'-diphosphate +c1cc(ccc1C[C@@H](CO)N)O TYE 4-[(2s)-2-amino-3-hydroxypropyl]phenol +c1cc(ccc1C[C@@H](C(=O)O)O)O TYF (2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +Cc1cccc2c1N=C(NC2=O)CSc3ccncc3 TYG 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N TYI 3,5-diiodotyrosine +CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O TYJ 2,5-dihydroxy-n-methyl-l-tyrosine +CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC TYK tylosin +CC(=O)Nc1ccc(cc1)O TYL n-(4-hydroxyphenyl)acetamide (tylenol) +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N TYM tryptophanyl-5'amp +c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N TYN aminobenzofurazan-o-tyrosine +C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO TYO (4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid +c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O TYP cyclo-(l-tyrosine-l-proline) inhibitor +c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N TYQ 3-amino-6-hydroxy-tyrosine +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR tyrosine +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 l-tyrosine c-terminal deprotonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H l-tyrosine c-terminal protonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH l-tyrosine free neutral +c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH l-tyrosine-free neutral/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW l-tyrosine free zwitterion +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH l-tyrosine-free zwitterion/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL l-tyrosine - linking embedded fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH l-tyrosine-linking embedded fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 l-tyrosine n-terminal protonated fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O TYS o-sulfo-l-tyrosine +c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N TYT tyrosine derivative +C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O TYU tetrahydrouridine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O TYV alpha-d-tyvelopyranose +c1cc(ccc1C[C@@H](C(O)O)N)O TYW (2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol +c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N TYX s-(2-anilino-2-oxoethyl)-l-cysteine +C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N TYY 3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine +CC(=O)Nc1ccc(cc1)C(=O)O TYZ para acetamido benzoic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N TZ0 1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one +c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl TZ1 n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-] TZ2 ~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N TZ4 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N TZ5 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium +Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O TZ7 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N TZ8 (2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N TZA trans-amiclenomycin +C\C=C(\C1=N[C@H](CS1)C(=O)O)/N TZB (4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ncn(n1)C(=[NH2+])N TZC 1,2,4-triazole-carboxamidine +Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C TZD 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate +Cc1c(scn1)CCO TZE 2-(4-methyl-thiazol-5-yl)-ethanol +c1cc(ccc1n2cncn2)O TZF 4-(1h-1,2,4-triazol-1-yl)phenol +c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O TZG (s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid +Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O TZH (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate +Cc1ccc(cc1)S(=O)(=O)N2CCOCC2 TZK 4-(4-methylphenyl)sulfonylmorpholine +CC[C@@H](C)c1nccs1 TZL 2-(sec-butyl)thiazole +c1cc(cc(c1)N)Cn2cncn2 TZM 3-(1h-1,2,4-triazol-1-ylmethyl)aniline +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4 TZN [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone +c1c(ncs1)C(=O)O TZO 1,3-thiazole-4-carboxylic acid +Cc1c(scn1)CCOP(=O)(O)O TZP 4-methyl-5-hydroxyethylthiazole phosphate +c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F TZQ 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid +COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC TZS n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide +CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C TZT soblidotin +COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N TZV n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide +c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O TZW 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde +CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F TZY 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine +COP(=O)(OC)OC TZZ trimethyl phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U uridine-5'-monophosphate +CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O U01 3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one +CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O U02 [2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester +CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O U03 4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one +CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O U04 ({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester +CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-] U05 6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O U06 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid +c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O U07 (2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N U08 (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N U0A 11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C U0D 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N U0E n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide +COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O U0G 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile +Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C U0H ~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide +CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4 U0J {(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium +Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0K 4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1nnc(s1)CN2CCC=C(C2)F U0M 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine +Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N U0N 4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(no1)CN(C)C(=O)NC2CC2 U0P n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea +C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N U0Q 4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1cnc(cn1)N2CC[C@@]3(C2)CCOC3 U0S (5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane +Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0T 4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(c(c1)C(=O)NCCc2ccncc2)F U0V 2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide +c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2 U0W 5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid +Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C U0Y 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one +[H]/N=C/1\N2CCCc3c2c(ccc3)S1 U0Z 5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline +[U] U1 uranium atom +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C U10 ubiquinone-10 +C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O U11 methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate +c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F U12 5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F U13 4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O U14 3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid +Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N U15 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate +CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O U16 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate +CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N U17 methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O U18 (s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F U19 5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C U1A 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O U1B 4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde +CC(=O)NNC(=O)c1cc2c(s1)CCCC2 U1D n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide +CN(C)c1cccc2c1c(ccc2)N(C)C U1E ~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine +CC(=O)N1CCN(CC1)C(=O)c2ccco2 U1G 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one +CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+] U1K (s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid +Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C U1M 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F U1N 4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide +[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U1P 6-[(e)-iminomethyl]uridine 5'-phosphate +c1cc(ncc1F)N U1Q 5-fluoranylpyridin-2-amine +CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U1S 1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4 U1T 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +Cc1cc(ccc1CS(=O)(=O)N)F U1V 1-(4-fluoro-2-methylphenyl)methanesulfonamide +[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC U1W 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O U1Y methyl 6-thio-beta-d-glucopyranoside +Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C U1Z 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U20 uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine +CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U21 uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine +CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U22 uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O U23 uridine-5'-monophosphate-2',3'-cyclic phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U25 uridine-5'-monophosphate +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 U27 2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O U28 methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S U2A methyl 2-thio-beta-d-glucopyranoside +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U2D 6-o-decanoyl-alpha-d-glucopyranose +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C U2E methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O U2F uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N U2G uridylyl-2'-5'-phospho-guanosine +CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U2J (4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C U2K 1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O U2L 5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate +C(CC[C@@H](C(=O)O)N)CCS U2M (2s)-2-amino-7-sulfanylheptanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N U2N 2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O U2P phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-] U2Q 2-[(3-nitro-2-pyridyl)thio]acetic acid +C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U2S 1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN U2T 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide +c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F U2V 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide +C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl U2W 4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2 U2X o-(cyclohexylmethyl)-l-tyrosine +B(c1ccc(cc1)C(=O)N(C)CC)(O)O U2Y {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid +Cc1cc(nn1c2ccccc2CN)CO U2Z [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN U31 2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate +CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N U32 4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O U33 5-bromo-2'-deoxy uridine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O U34 uridine 5'-monomethylphosphate +CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O U35 (2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O U36 2'-o-methyoxyethyl-uridine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O U37 uridine 5'-monothiophosphate +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O U3A 5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide +CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC U3D [(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN U3G (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O U3H 3'-deoxy-uridine 5'-triphosphate +c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O U3J xanthosine diphosphate +Cc1ccc(o1)CN(C)Cc2ccccc2 U3K ~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine +c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5 U3M 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid +c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F U3N 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O U3P 3'-uridinemonophosphate +c1ccc2c(c1)cccc2CCCCC(=O)O U3Q 1-naphthalenepentanoic acid +C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U3S 1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +C#CCOc1ccccc1CCCCCC(=O)O U3T 6-(2-prop-2-ynoxyphenyl)hexanoic acid +CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3 U3V (2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide +CN1C(=O)N(C(=O)S1)Cc2ccccc2 U3W 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione +c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2 U3X 4-[(cyclohexylmethyl)amino]-l-phenylalanine +CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U3Y (4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O U3Z (3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl U41 3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O U44 (2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O U46 (5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O U48 5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate +c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N U49 (20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile +c1cnc(c(c1C(=O)O)F)C(=O)O U4B 3-fluoranylpyridine-2,4-dicarboxylic acid +[H]/N=C(\N)/NCCCCCCCC U4G n-octylguanidine +COc1ccc(cc1)c2cccc(c2)C(=O)O U4J 3-(4-methoxyphenyl)benzoic acid +c1ccc2c(c1)ccnc2SCC(=O)O U4K 2-isoquinolin-1-ylsulfanylethanoic acid +C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O U4M 1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F U4N 2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O U4P 5'-deoxyuridine +c1c(c(cnc1C(=O)O)F)C(=O)O U4Q 5-fluoranylpyridine-2,4-dicarboxylic acid +C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U4S 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O U4T 4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N U4V 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine +CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F U4W n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N U4Y (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid +CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2 U51 (5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid +C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C U52 2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC U53 ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate +c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N U55 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide +CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N U57 (2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol +c1ccc2c(c1)c(ncn2)SCCC(=O)O U58 3-(quinazolin-4-ylsulfanyl)propanoic acid +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N U5A [(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2 U5B 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid +CNC(=O)c1cc2c(s1)-c3ccccc3CC2 U5E n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O U5F 5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C U5G boceprevir (bound form) +CN1[C@@H](CCC1=O)c2cccnc2 U5H (5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one +CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O U5J [(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury +C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5M 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U5P uridine-5'-monophosphate +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5R 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione +Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2 U5T (4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one +c1ccc(c(c1)CN)F U5V 1-(2-fluorophenyl)methanamine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O U5W 1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3 +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F U5Y (12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide +c1cc(ccc1NNC(=S)N)F U5Z 1-[(4-fluorophenyl)amino]thiourea +c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O U61 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol +c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2 U62 4~{h}-thieno[3,2-c]chromene-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O U63 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F U64 6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile +COC(=O)c1cc2c(s1)-c3ccccc3OC2 U65 methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate +c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N U66 (20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile +CC(C)CCCN U67 4-methylpentan-1-amine +CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O U68 (4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate +C[C@H]([C@@H](C(=O)O)NC(=O)O)O U6A n-carboxy-l-threonine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N U6B 4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F U6D (1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl U6E 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide +c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl U6G 4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide +COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5 U6H 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U6J (1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O U6K (2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol +CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U6M 6-methyluridine 5'-(dihydrogen phosphate) +CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6N (2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6Q (2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F U6T 4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F U6V n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O U6Z 1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U71 (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C U72 2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine +CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1 U73 n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O U75 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U77 n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +Cc1ccccc1CCNC(=O)C U78 ~{n}-[2-(2-methylphenyl)ethyl]ethanamide +c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N U7A n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F U7B 2'-deoxy-2'2'-difluorodeoxycytidine +c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2 U7E 5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U7G n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5 U7H 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3 U7J n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O U7K (e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C U7P (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one +c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F U7Q ~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine +Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2 U7S 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one +c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O U7T [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite +Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7V tedizolid +C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3 U7W 2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone +Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7Y tedizolid isomer +c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl U7Z 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide +c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br U81 5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one +CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4 U82 3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N U85 1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium +c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl U87 5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine +c1c(scn1)N(=O)=O U88 5-nitro-1,3-thiazole +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O U89 n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid +c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N U8B (2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N U8D (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid +CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC U8G (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium +CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC U8J n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O U8K 3-(phenylsulfonylamino)pyridine-2-carboxylic acid +c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N U8M 3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine +c1ccc2c(c1)C(=CNC2=O)O U8N 4-oxidanyl-2~{h}-isoquinolin-1-one +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C U8P tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate +c1cc(ccc1C(F)(F)F)OC2CCNCC2 U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine +c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3 U8T 6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one +CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U8U 5-methylaminomethyl-2-thiouridine-5'-monophosphate +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U8V 6-o-butanoyl-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O U8W (2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid +C(/C(=C\OP(=O)(O)O)/O)O U8Z [(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate +Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F U91 1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide +COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O U94 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F U95 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O U97 2-o-sulfo-beta-l-galactopyranuronic acid +c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F U98 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide +[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O U9A [(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid +c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O U9B (1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC U9D 4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose +CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl U9E 3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O U9G 2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose +c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O U9H 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9J (2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F U9K (1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9M (2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC U9N [(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate +[C@@H]1([C@H](O1)C(=O)O)C(=O)O U9S (2r,3s)-oxirane-2,3-dicarboxylic acid +CC1CCN(CC1)C(=O)NCCc2ccccc2F U9T ~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC U9V pentadecyl(tetradecyl)peroxyanhydride +CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl U9W ~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N U9Y 1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine +CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F U9Z 4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC UA1 n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide +c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O UA2 3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O UA3 uracil arabinose-3'-phosphate +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC UA4 (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one +CCc1ccc(cc1)NS(=O)(=O)O UA5 (4-ethylphenyl)sulfamic acid +c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br UA7 brodifacoum +CC1CCN(CC1)C(=O)NC2CCCCCC2 UA8 ~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide +C1=C(NC(=O)NC1=O)CC(=O)O UAA uracil-6-acetic acid +CC1CCN(CC1)C(=O)NCCCCc2ccccc2 UAB 4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UAD [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC1CCN(CC1)C(=O)NC2CCCCC2 UAE ~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UAG uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate +Cc1c(cc(cn1)COP(=O)(O)O)O UAH (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O UAJ chlorophacinone +CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2 UAK 4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide +C(=C(/C(=O)O)\N)\NC(=O)N UAL (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid +CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O UAM amicoumacin a +CNC1=Nc2c(ncn2C)C(=O)N1 UAN 9-methyl-2-(methylamino)-1h-purin-6-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O UAP 4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid +CC1CCN(CC1)C(=O)NCc2ccco2 UAQ ~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UAR uracil arabinose-5'-phosphate +c1ccc(cc1)C2C(=O)c3ccccc3C2=O UAS phenindione +CC1CCN(CC1)C(=O)NCc2ccccc2 UAT 4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide +C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O UAV (2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)O UAW ~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide +[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O UAY 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC UAZ ~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide +CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N UB1 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB2 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB3 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine +c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N UB4 (2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid +CCCCCNC(=O)N1CCC(CC1)C UB5 4-methyl-~{n}-pentyl-piperidine-1-carboxamide +c1cc(ccc1C(=O)O)C(=O)O UB7 terephthalic acid +CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N UBA (s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O UBB 2',3'-dideoxy-uridine-5'-monophosphate +c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O UBC (s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O UBD uridine 3',5'-bis(dihydrogen phosphate) +CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N UBE 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid +c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O UBF 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O UBG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UBI 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O UBM coenzyme f420-4 +CCCCCCCCNC(=O)N1CCC(CC1)C UBN 4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide +C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N UBP 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine +CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C UBQ 4-methyl-~{n}-undecyl-pyridine-1-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O UBR 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBS n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine +CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBT n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine +CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBU n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBV n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine +CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBW n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline +CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O UBX n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBY n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine +CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBZ (2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid +Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl UC1 2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide +Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl UC2 n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide +CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C UC3 1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate +CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl UC4 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O UC5 2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6 UC8 ~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O UC9 4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid +C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O UCA s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate +CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5 UCB 1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium +CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UCC s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O UCD (4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5 ,6-dihydro-4h-pyran-2-carboxylic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6 UCE ~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N UCG 3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) +CC(C)OP(=O)(C)O UCJ propan-2-yl hydrogen (s)-methylphosphonate +c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl UCK (2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O UCL 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O UCM rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC UCN 7-hydroxystaurosporine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O UCP phosphomethyl phosphonic acid deoxyuridylate ester +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2 UCS n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide +CC(C)[C@@H](CNC(=O)N)N UCV 1-[(2~{s})-2-azanyl-3-methyl-butyl]urea +CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N UCW tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate +CC1(CCC[C@@H]1O[P@H](=O)C)C UCY (1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate +CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O UCZ (1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O UD0 (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD1 uridine-diphosphate-n-acetylglucosamine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD2 uridine-diphosphate-n-acetylgalactosamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N UD4 udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F UD5 5-fluorouridine +CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD6 [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O UD7 [(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C UD8 n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD9 (2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O UDA 3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F UDB (s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O UDC 2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose +c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F UDD n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N UDE 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O UDG (2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O UDH 6-aminohexyl-uridine-c1,5'-diphosphate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C UDJ (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one +CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O UDK (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDM uridine-diphosphate-methylene-n-acetyl-glucosamine +CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDN uridine-diphosphate-methylene-n-acetyl-galactosamine +c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F UDO (s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O UDP uridine-5'-diphosphate +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O UDQ n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide +Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C UDR (e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate +c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O UDS n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine +CCCCCCCCCCOC(=O)S UDT o-decyl hydrogen thiocarbonate +Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C UDV 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] +c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO UDW (s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UDX uridine-5'-diphosphate-xylopyranose +c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F UDY 6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O UDZ [(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium +CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O UE1 (4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C UE2 (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C UE5 (r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide +c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3 UE8 2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one +C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O UEA beta-d-sorbofuranose +c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N UEB (s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2 UED n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O UEE (r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide +Cc1c(c(c(cn1)CO)CO)O UEG 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C UEH (r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F UEJ n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl UEK n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide +c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F UEN n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UEP 6-ethyluridine 5'-phosphate +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O UEQ 4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3 UET n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O UEV (1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O UEW n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide +c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N UEY 7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C UEZ (r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O UF0 o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UF2 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N UF4 4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine +c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N UF7 7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5 UF8 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one +c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N UFA 7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UFB 2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N UFD 7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O UFE fe(iii) uroporphyrin +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O UFG uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose +c1cc(c(cc1n2ccnc2)Br)C=O UFH 2-bromanyl-4-imidazol-1-yl-benzaldehyde +c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I UFJ n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O UFK cinnamtannin b1 +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UFM uridine-5'-diphosphate-mannose +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O UFN modified form of cinnamtannin b1 with sp3 hybridized c5' +CN1CCN(c2c1ccc(c2)CN)C UFO 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O UFP 5-fluoro-2'-deoxyuridine-5'-monophosphate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O UFQ cytosine 5'-[gamma-thio]triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O UFR 2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate) +C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO UFS n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UFT 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate) +c1c(cc(c(c1N)N)Br)C(F)(F)F UFV 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine +Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C UFW ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O UFY n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide +c1ccc(cc1)C[NH3+] UFZ (phenylmethyl)azanium +c1cnccc1n2cnc(c2N)C(=O)N UG1 5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(cc3)CO UG2 [4-(2-phenylimidazol-1-yl)phenyl]methanol +c1cc(cnc1)n2cnc(c2N)C(=O)N UG4 5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide +c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F UG5 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F UG7 n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide +c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2 UG8 4-piperidin-1-ylsulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O UGA uridine-5'-diphosphate-glucuronic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O UGB (2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid +[C@H](C(=O)O)(NC(=O)N)O UGC (2s)-(carbamoylamino)(hydroxy)ethanoic acid +c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3 UGD n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide +c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O UGE 4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O UGF (2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 UGG 2-(isoquinolin-4-yl)-n-phenylacetamide +C(CN)CNCCS UGH wr-1065 +c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F UGI 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl UGJ 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile +Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC UGK 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one +c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N UGM 2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C UGN 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine +Cc1ccncc1NC(=O)Cc2cccc(c2)C#N UGP 2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 UGQ 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline +COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2 UGS n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide +c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3 UGT n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide +c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl UGV 2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide +CC(C)(C)c1ccc(c(c1)C(C)(C)C)O UGW 2,4-di~{tert}-butylphenol +CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 UGX n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +[C@H](C(=O)O)(N)NC(=O)N UGY (2s)-amino(carbamoylamino)ethanoic acid +COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4 UGZ n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide +c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2 UH1 2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide +Cc1ccc(s1)NC(=O)Nc2cccnc2 UH4 n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O UH5 3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)Cc2cccc(c2)Cl UH7 2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3 UH8 methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl UHA (2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide +c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O UHB 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide +CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O UHD 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C UHF n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide +C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O UHG (2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C UHH (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide +[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1 UHJ n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide +c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N UHM 2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide +c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3 UHN 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde +CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHQ 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C UHS n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide +CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O UHT ~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UHV n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHW 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde +COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N UHX 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C UHY n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide +CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O UHZ (5-methanoyl-2-nitro-phenyl) methanesulfonate +c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN UI1 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide +c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N UI2 8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide +[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N UI3 7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide +C[C@H](CN)NC(=O)O UIA [(2~{r})-1-azanylpropan-2-yl]carbamic acid +CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5 UIB (1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO UIC (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N UIH 6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CC(C)C[C@H](CN)NC(=O)O UIL [(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O UIN 5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one +CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N UIP (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N UIQ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N UIR (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N UIZ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C UJ1 n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O UJ2 2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UJ4 n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC UJ5 2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4 UJ6 5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid +C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6 UJ7 (2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O UJ8 (~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol +c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl UJA (2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C UJB (2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one +C1CSC(S1)C(=O)O UJD 1,3-dithiolane-2-carboxylic acid +C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 UJE 5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7 UJG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CON1C=CC(=O)c2c1cccc2 UJH 1-methoxy-4-oxoquinoline +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7 UJJ [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1ccccc1n2cc(nn2)C(=O)O UJK 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid +C1C[C@H](SC1)C(=O)O UJM (2s)-thiolane-2-carboxylic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O UJN [oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid +C1C[C@@H](SC1)C(=O)O UJP (2r)-thiolane-2-carboxylic acid +c1ccc2c(c1)C(c3ccccc3O2)C(=O)O UJQ 9~{h}-xanthene-9-carboxylic acid +[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N UJW 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide +c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F UJZ 4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole +CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C UK1 3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one +B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O UK2 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O UK4 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)C(=O)C=CN2O UK5 1-oxidanylquinolin-4-one +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO UK7 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F UK8 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O UKA 6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F UKB 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid +CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C UKC 8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene +c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O UKD 3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +COc1ccc2c(c1)nc(o2)C(=O)O UKE 5-methoxy-1,3-benzoxazole-2-carboxylic acid +B(c1ccc(cc1)[N+](=O)[O-])(O)O UKH p-nitrophenylboronic acid +c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F UKJ 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene +c1ccc(cc1)Oc2ccc(cn2)N UKK 6-phenoxy-3-pyridinamine +CCC[C@H](O)S(=O)(=O)O UKM (1r)-1-hydroxybutane-1-sulfonic acid +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C UKP [2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O UKQ (1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol +B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O UKS [(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O UKT (1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol +COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2 UKV (5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O UKW 4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide +c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O UKY 3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 UKZ n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide +COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 UL1 (5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 UL2 n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide +CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C UL4 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 UL5 ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide +c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl UL7 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3 UL8 ~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide +C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O ULA ulapualide a +Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 ULB 3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole +c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F ULD cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3 ULE ~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F ULF [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F ULG (1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol +C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3 ULH ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI tetracontane +COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC ULJ 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O ULK ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide +c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F ULM (6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4 ULN ~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O ULP (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name) +CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4 ULQ 6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide +c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N ULS 3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F ULT 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULV 4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C ULW [(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate +COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULY 4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 ULZ 4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C UM0 (2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN UM1 (2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid +CCCCNC(=O)[C@H](C)N UM2 (2s)-2-amino-n-butyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O UM3 2'-deoxyuridine 3'-monophosphate +c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N UM4 4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3 UM5 n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide +COC(=O)[C@@H]1CCCNN1 UM7 methyl (3s)-hexahydropyridazine-3-carboxylate +Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4 UM8 2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UMA uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine +CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O UMB 6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide +C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UMC 2'-deoxy-5'-uridylic acid +CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C UME n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F UMF 2'-fluoro-2'-deoxyuridine 3'-monophosphate +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C UMG methyl-umbellifertl-n-acetyl-chitotriose +COc1ccc2c(c1)cc(cn2)C(=O)O UMH 6-methoxyquinoline-3-carboxylic acid +CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O UMJ 1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid +c1cc(ccc1C2(CCNCC2)O)Br UMK 4-(4-bromophenyl)piperidin-4-ol +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UML uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine +CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C UMM tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate +c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UMN 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide +CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UMO 2'-f-4'-ome u +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMP 2'-deoxyuridine 5'-monophosphate +CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O UMQ undecyl-maltoside +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMS 2'-methylselenyl-2'-deoxyuridine-5'-phosphate +c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 UMT 4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N UMV methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate +CC(C)(CN1CC[C@@H](C1)N)O UMW 1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol +C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UMX [(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N UMY 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)c(c[nH]2)CCc3ccncn3 UMZ 3-(2-pyrimidin-4-ylethyl)-1~{h}-indole +C(C[C@@H](C(=O)O)N)CC(=O)O UN1 2-aminohexanedioic acid +C([C@@H](C(=O)O)N)C(O)O UN2 2-amino-4,4-dihydroxybutanoic acid +Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O UN3 (2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid +c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3 UN4 5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O UN5 {3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid +c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O UN6 (3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O UN7 3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F UN8 n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O UN9 n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine +CCCCCCCCCCC=O UNA undecanal +[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N UNB n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide +C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N UNC 5-amino-6-nitropyrimidine-2,4(1h,3h)-dione +CCCCCCCCCCC UND undecane +COc1cc(cc2c1oc(c2)C(=O)O)Br UNE 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C UNH ({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester +c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O UNI 4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide +c1cc2c(cc1Br)cc(o2)C(=O)O UNJ 5-bromo-1-benzofuran-2-carboxylic acid +CC[C@@H](C(=O)O)N UNK unknown + UNL unknown ligand +c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O UNM 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid +C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F UNN (6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O UNP 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine +c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O UNQ 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid +C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O UNR 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium +Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F UNS 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4 UNT (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid +c1ccc(cc1)C(=O)N UNU benzamide +c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O UNV 6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UNW 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one +* UNX unknown atom or ion +C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNY (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNZ (2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O UO1 n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide +C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N UO2 (2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N UO4 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UO5 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one +C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C UO7 (2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone +c1nc2c(n1C3CCCCC3)NC(=NC2=S)N UO8 2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione +CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOA [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOB 2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate) +CCCCCCCCCC(=O)C UOC undecan-2-one +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C UOD (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UOE (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C UOG (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl UOH (2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +Cc1cc(on1)C(=O)Nc2ccncc2 UOI 3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C UOJ (2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +COc1ccc2c(c1)c(c[nH]2)CC#N UOK 2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N UOM 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile +COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl UON 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde +CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N UOP 4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide +CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UOQ undeca-2-one coenzyme a +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl UOS 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one +COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O UOT 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde +Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4 UOV n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide +C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl UOW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide +C([C@@H](C(=O)O)N)[Se@@H]=O UOX 3-(oxido-lambda~4~-selanyl)-l-alanine +CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2 UOY 4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O UP1 uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O UP2 uroporphyrinogen iii +c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O UP3 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl UP4 n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N UP5 p1-(adenosine-5'-p5-(uridine-5')pentaphosphate +C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UP6 6-aza uridine 5'-monophosphate +c1cc(c(c(c1)N)C(=O)O)C(=O)O UP8 3-aminobenzene-1,2-dicarboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N UPA uridylyl-2'-5'-phospho-adenosine +C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C UPB 3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O UPC 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine +CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC UPD 1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O UPE 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O UPF uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UPG uridine-5'-diphosphate-glucose +CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2 UPJ 1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O UPK 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol +CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC UPL unknown branched fragment of phospholipid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO UPM uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O UPN 2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid +c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UPP phenyl-uridine-5'-diphosphate +Cc1cn(cn1)c2ccc(cc2)C=O UPQ 4-(4-methylimidazol-1-yl)benzaldehyde +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O UPR 2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O UPS 2'-deoxy-5'-o-thiophosphonouridine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O UPT 1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O UPU [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate +CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UPV 2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O UPW 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] UPX n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C UQ coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C UQ1 ubiquinone-1 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C UQ2 ubiquinone-2 +c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O UQ4 n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ5 2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone +Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ6 5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ7 ubiquinone-7 +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ8 ubiquinone-8 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C UQ9 ubiquinone-9 +CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 UQA 5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione +c1cc(ccc1[C@H](CN)O)F UQB (1r)-2-amino-1-(4-fluorophenyl)ethanol +[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQD 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQG 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +Cn1cc(c(n1)C(F)F)C(=O)N UQJ 3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide +CC(C)(C(=O)O)NC(=O)C(=O)O UQK n-oxalyl-alpha-methylalanine +CC(=O)Nc1ccc(cc1)CC(=O)N UQM n-[4-(2-amino-2-oxoethyl)phenyl]acetamide +Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br UQN 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +c1ccc(c(c1)CNc2c[nH]nc2)F UQS n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine +CC(=O)Nc1ccccc1CC(=O)O UQV [2-(acetylamino)phenyl]acetic acid +CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C UQW [(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate +CNC1(CCCC1)C(=O)N UQY 1-(methylamino)cyclopentane-1-carboxamide +CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C UQZ ~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide +Cc1cc(cc(c1)S(=O)(=O)N)F UR1 3-fluoro-5-methylbenzene-1-sulfonamide +CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O UR2 4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UR3 3-methyluridine-5'-monophoshate +COCC(=O)Nc1nc(cs1)c2ccccc2 UR4 2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O UR5 (+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +Cc1ccc(cc1F)CS(=O)(=O)N UR7 1-(3-fluoro-4-methylphenyl)methanesulfonamide +C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O UR8 (-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +C1=CNC(=O)NC1=O URA uracil +C1=C(C(=O)NC(=O)N1)Br URB 5-bromopyrimidine-2,4(1h,3h)-dione +C12=C(NC(=O)N1)NC(=O)NC2=O URC uric acid +C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URD 1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione +C(=O)(N)N URE urea +C1=C(C(=O)NC(=O)N1)F URF 5-fluorouracil +c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N URH ~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URI uridine +Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F URJ 4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide +COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C URK [(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate +CC(C)C[C@@H](CNC(=O)O)N URL [(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O URM (((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +C1(=C(NC(=O)NC1=O)N)N URN 5,6-diaminopyrimidine-2,4(1h,3h)-dione +c1c(nc[nH]1)C=CC(=O)O URO (2e)-3-(1h-imidazol-4-yl)acrylic acid +C(CNC(=O)N)C(=O)O URP n-(aminocarbonyl)-beta-alanine +C[C@@H](CNC(=O)N)C(=O)O URQ (2s)-3-(carbamoylamino)-2-methylpropanoic acid +c1ccc(cc1)NC(=S)N URS n-phenylthiourea +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N URT ({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O URU ((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate +CC(C)[C@@H](CNC(=O)O)N URV [(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid +C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N URW 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide +C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O URX [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O URY 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S US1 2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate) +CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US2 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) +CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US3 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O US4 [(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O US5 1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one +CS(=O)(=O)c1ccc(cc1)N2CCNCC2 US7 1-[4-(methylsulfonyl)phenyl]piperazine +CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3 US8 2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide +[H]/N=C/c1[nH]ccn1 USA (e)-1-(1h-imidazol-2-yl)methanimine +CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O USC 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +[H]/N=C/c1ncccn1 USD (e)-1-(pyrimidin-2-yl)methanimine +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O USE orientin +c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F USG 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one +CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl USH 2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide +CN1[C@H](c2ccccc2[C@@H]1O)O USJ (1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol +CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O USM 2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate) +C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C USN dimethylated-f430 cofactor +CN1c2ccc(cc2O[C@H]1O)N USP (2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O USQ sulfoquinovose-uridine-c1,5'-diphosphate +c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F USS 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one +c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O UST 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl USW 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F USY n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F USZ ~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide +CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C UT0 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone +COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O UT2 n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2 UT4 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one +CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F UT5 n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O UT7 oxa(dethia)-coa +COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O UT8 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UTA acetyl-oxa(dethia)-coa +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O UTB 1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione +c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl UTD 4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one +c1ccc(c(c1)NC(=S)NCc2ccco2)Cl UTG n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea +Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C UTH 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid +c1cc2ccncc2c(c1)c3ccc(cc3)CC#N UTJ [4-(isoquinolin-8-yl)phenyl]acetonitrile +CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7 UTM 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O UTP uridine 5'-triphosphate +c1ccc(cc1)Cn2cnc3c2cccc3 UTS 1-benzyl-1h-benzimidazole +CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C UTV 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one +B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N UTX 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide +C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N UTY 3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile +c1c(cn(n1)CCO)Br UU1 2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol +C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O UU3 (5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione +C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N UU4 (2s)-2-amino-4-(l-serylamino)butanoic acid +C(CNC(=O)C=O)[C@@H](C(=O)O)N UU5 (2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O UUA uridine uronic acid +CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl UUB (e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide +CC(=O)/N=C\1/Nc2ccccc2S1 UUD n-(1,3-benzothiazol-2-yl)acetamide +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F UUE 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene +COc1cc(ccc1CO)Br UUG (4-bromo-2-methoxyphenyl)methanol +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F UUH (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(c(cc1Br)C#N)O UUJ 5-bromo-2-hydroxybenzonitrile +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C UUK tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate +c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl UUL 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol +Cc1cc(no1)C(=O)Nc2cnn(c2)C UUM 5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO UUN n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide +c1cnc2c(cnn2c1)C(=O)NC3CC3 UUP n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide +C1=CN(C(=O)C=C1Br)CCO UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one +C[C@@H](CO)OC[C@H](C)OC[C@H](C)O UUT (2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O UUU (1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COCCn1cc(cn1)Br UUV 4-bromo-1-(2-methoxyethyl)-1h-pyrazole +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C UUW n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide +CN(CCO)c1ccccn1 UUY 2-[methyl(pyridin-2-yl)amino]ethan-1-ol +COc1cccc2c1CCCC(=O)N2 UV1 6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one +c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O UV4 3-(benzoylamino)-n-oxobenzamide +CC(=O)NCc1c[nH]nc1 UV7 n-[(1h-pyrazol-4-yl)methyl]acetamide +CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C UV8 3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid +CNc1ccccc1S(=O)(=O)C UVA n-methyl-2-(methylsulfonyl)aniline +c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O UVB 4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O UVC uridine-2',3'-vanadate +COC(=O)Nc1ccc(cc1)Cc2ccncc2 UVD methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate +c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O UVE 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde +CN(C)C(=O)c1c[nH]nc1 UVG n,n-dimethyl-1h-pyrazole-4-carboxamide +CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UVH 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde +Cc1nc2ccccc2n1CCC(=O)N UVJ 3-(2-methyl-1h-benzimidazol-1-yl)propanamide +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F UVK 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CCOC(=O)N1CCOCC1 UVM ethyl morpholine-4-carboxylate +c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 UVN 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde +CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O UVP 1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F UVQ 4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +COCc1nnc(s1)N UVS 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine +C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O UVT 4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde +CC1=CC=C(C(=O)N1C)N UVV 3-amino-1,6-dimethylpyridin-2(1h)-one +CC(=O)OP(=O)(O)O UVW acetylphosphate +C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UVX [(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCn1cc(cn1)CCO UVY 2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl UVZ 4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N UW1 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O UW2 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5 UW3 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide +CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N UW4 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O UW5 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +Cn1c2c(nn1)CC[C@@H](C2)C(=O)O UW7 (6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid +C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O UW8 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N UW9 1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N UWA 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N UWB 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNCc1nnc2n1cccc2 UWD n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine +C(#[O+])[Ni] UWE $l^{3}-oxidanylidynemethylnickel +C[C@@H](c1cnn(c1)C2CCCC2)O UWG (1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol +COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWH 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C UWJ 5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O UWK 4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N UWM trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6 UWN [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N UWP [3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile +COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWQ 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde +Cc1cc(on1)CN2C(=O)C=CC(=N2)C UWS 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one +C[C@H](CO)OC[C@H](C)OC[C@H](C)O UWT (2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl UWU 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one +c1ccc(c(c1)NCc2cc[nH]n2)F UWV 2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C UWX ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +CCn1cc(cn1)NC(=O)C2CCCC2 UWY n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide +CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3 UWZ ~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide +COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO UX0 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol +CNC(=O)C1(CC1)Cc2ccccc2F UX1 1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C UX4 ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate +COc1ccc2c(c1)sc(n2)NC(=O)C3CC3 UX7 n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide +c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O UX8 (2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid +CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC UX9 methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1cc2c(cc1C(=O)NC3CC3)OCO2 UXA ~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide +c1c(cn[nH]1)C(=O)N2CCCC2 UXD (1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone +CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C UXE 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol +c1ccc(cc1)C(c2ccccc2)N3CC(C3)O UXG 1-(diphenylmethyl)azetidin-3-ol +CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O UXH 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +Cc1c(c[nH]n1)CNc2ccccc2F UXJ 2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline +CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXK 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine +CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N UXM (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide +CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O UXN 4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide +c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5 UXP [(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol +c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl UXQ (2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid +CSCC[C@@H](CO)N UXS (2s)-2-amino-4-(methylsulfanyl)butan-1-ol +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXT 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXW 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C(CN)[C@H](C[C@@H](C(=O)O)N)O UXY (4r)-4-hydroxy-l-lysine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UXZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O UY1 2'-o-methylpseudouridine-5'-monophosphate +CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C UY2 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one +C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O UY4 (2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid +CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C UY5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H](CN[C@H]1C(=O)O)O UY7 (4s)-4-hydroxy-d-proline +C1[C@H](CN[C@H]1C(=O)O)O UYA (4r)-4-hydroxy-d-proline +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C UYC 3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4 UYD (2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol +CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 UYG (3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC UYH [(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5 UYK (r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5 UYM (3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N UYN [[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium +c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N UYQ [[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium +CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 UYS 3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide +C/C(=N\NC(=[NH2+])N)/c1ccccc1 UYT [azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium +c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl UYW [azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C UYZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-] UZ0 2'-azido-2'-deoxyuridine +C1CC1N UZ1 cyclopropanamine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C UZ2 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N UZ4 (2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid +CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C UZ5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +c1ccc(cc1)OC(=O)O UZ7 phenyl hydrogen carbonate +C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C UZ9 (2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid +CC/C=C/CCC[C@@](C)(C(=O)O)N UZA (2s,6e)-2-amino-2-methylnon-6-enoic acid +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C UZB 9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one +CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O UZD methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside +CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZE 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N UZG 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide +CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZH 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H]([C@@H](CO[C@H]1O)O)O UZJ 2-deoxy-beta-d-ribopyranose +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5 UZK (2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO UZM (3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide +CCCC[C@@H](CNC(=O)O)N UZN [(2~{s})-2-azanylhexyl]carbamic acid +CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl UZP (3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide +CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C UZQ (2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N UZR 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate +C(CCCS)CCC(=O)NO UZS n-hydroxy-7-sulfanylheptanamide +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4 UZT (2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C(CCS)CC(=O)NO UZV n-hydroxy-5-sulfanylpentanamide +c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO UZW ~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide +C(CCC(=O)NO)CCS UZY n-hydroxy-6-sulfanylhexanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN UZZ 1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine +[V+3] V vanadium ion +c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5 V01 n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide +CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN V02 3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol +c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO V04 4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide +c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F V05 3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide +Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V07 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine +CC(C)[C@H](C=O)[C@H](C(=O)O)O V08 (2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid +C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C V0A (3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione +Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3 V0B n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide +CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V0D 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine +c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0E 2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl V0G n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide +c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0H 2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile +CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6 V0J (2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid +CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5 V0K 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide +C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 V0L volitinib +c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl V0M 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O V0N 2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N V0P 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine +CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO V0Q [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl V0S 3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide +c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O V0T 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol +C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O V0V (3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name) +Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C V0W 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane +CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC V0Y 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile +CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V10 n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O V11 [(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate +c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O V12 5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine +C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(cc1)CCC2=CC(=O)NC(=N2)N V15 2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one +CCCCc1ccc(c(c1)C)N/C=N\O V16 n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide +c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6 V17 (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone +c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O V18 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione +CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C V1A s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate +c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 V1B 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione +CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F V1D n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide +Cc1ccc(cc1)S(=O)(=O)N(C)C V1E ~{n},~{n},4-trimethylbenzenesulfonamide +c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3 V1F 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO V1G (1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide +Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC V1H 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine +C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO V1J 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol +Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC V1K 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole +C1CCNC(=O)C1 V1L piperidin-2-one +Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC V1M methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate +c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O V1N [(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate +CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O V1P 5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide +Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C V1Q 4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide +CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O V1S (1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CN1c2ccc(cc2N(C1=O)C)C(=O)N V1T 1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide +CCC[C@@H]([C@@H](C(=O)O)O)N V1V (2s,3s)-3-amino-2-hydroxyhexanoic acid +c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O V1W v-coelenterazine +Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl V1Y 4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide +CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V20 n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N V21 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide +c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4 V22 ~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V24 n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine +CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N V25 ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate +CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F V26 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide +CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O V27 1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V28 n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine +CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N V2A neoseptin 3 +CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC V2C methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate +Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O V2D methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate +c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] V2E 3-morpholin-4-yl-4-nitro-benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N V2G 2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C V2H (1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N V2J 5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine +Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC V2K 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC V2M n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC V2N 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N V2P (2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid +COC1CN(C1)C(=O)c2ccc(cc2)C=O V2Q 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde +c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V2S (2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid +Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O V2T 4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O V2V cdp-ribitol +COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O V2W 4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide +CCCC1=NC(=CNC1=O)c2cccnc2 V2Z 3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one +Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C V30 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide +c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br V31 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid +c1cc(ccc1C=O)C(=O)N2CCOCC2 V32 4-morpholin-4-ylcarbonylbenzaldehyde +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC V34 ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V35 d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V36 l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4 V37 [(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate +C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O V38 [(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate +Cc1c(cccc1OCc2cccc(n2)CO)O V39 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N V3A 9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O V3B 4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC V3D (3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate +CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C V3H (2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid +c1cc2c(cc1C(=O)N3CCOCC3)nns2 V3J (4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O V3K 4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N V3L 2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate) +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O V3M 2-deoxy-2-fluoro-alpha-d-arabinofuranose +c1cc(ccc1C=O)C(=O)NCC2CCOCC2 V3N 4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide +c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I V3P 4-iodophenyl 1,4-dithio-beta-d-glucopyranoside +COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O V3Q 4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide +CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3 V3S (2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide +Cn1ccnc1CNC(=O)c2ccc(cc2)C=O V3T 4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide +CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O V3V 2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid +COC1CCN(CC1)C(=O)c2ccc(cc2)C=O V3W 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde +CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O V3Z (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate +[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N V41 (2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide +Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V42 (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate +Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C V44 s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl V45 (2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide +c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V47 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine +COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V48 (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate +c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F V49 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7 V4A platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] +Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4B [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate +c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N V4D 4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O V4E thiamine triphosphate +c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O V4H 4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde +CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O V4J 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO V4K 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde +c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl V4M 2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide +c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4N (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate +[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-] V4O cyclo-tetrametavanadate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6 V4Q n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide +C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3 V4T 1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 +c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V4V 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O V4W 4-deoxy-l-erythro-hex-5-ulosuronic acid +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N V4Y 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl V4Z 5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide +C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F V51 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 V52 1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N V54 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +COc1cc(ccc1O)C=O V55 4-hydroxy-3-methoxybenzaldehyde +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO V56 (4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V57 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N V5A adenosine-5'-vanadate +COS(=O)(=O)O V5B methyl sulfate +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N V5D 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4 V5E 5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N V5G 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine +Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F V5J 3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide +COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O V5M (2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid +c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O V5N (2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid +COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O V5P lignostilbene +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC V5Q ~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide +c1cc(ccc1NCCO)Br V5S 2-[(4-bromophenyl)amino]ethan-1-ol +c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F V5V (1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) +c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl V5W 4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5 V5X (2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide +C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O V5Z dmhbo+ +C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N V61 2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br V62 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3 V63 [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V64 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate +c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V66 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate +c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3 V67 4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid +CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N V68 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine +CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO V69 (4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F V6A selinexor, bound form +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br V6B 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C V6D (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione +c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl V6E 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O V6F (4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide +Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C V6G 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one +c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F V6H 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O V6M 7-methyl-3-phenyl-1h-indole-2-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)O V6P 3-phenoxyphenol +c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O V6S 4-(3-hydroxyphenoxy)benzoic acid +CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C V6T dmhbi+ +Cc1c2cc(ccc2[nH]c1C(=O)O)Br V6V 5-bromo-3-methyl-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O V6Y 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N V71 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O V74 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid +CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O V75 (2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid +CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O V77 {[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O V78 methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC V7A sarecycline +CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C V7B [(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate +CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1 V7D 2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC V7G n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O V7H (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N V7K (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +Cc1cc(cc(c1)F)C V7M 1-fluoro-3,5-dimethylbenzene +C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O V7N (2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid +O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O V7O meta vanadate +c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N V7P (2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal +c1cc(c2c(c1)nsn2)CN V7Q 2,1,3-benzothiadiazol-4-ylmethanamine +CSCc1cccc(c1)CSC V7S 1,3-bis[(methylsulfanyl)methyl]benzene +[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O V7T (2r)-6-azanyl-2-carbamimidamido-hexanoic acid +c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O V7V 3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O V7W (2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid +C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N V7Y 2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C V81 5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O V82 [4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O V84 2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S V85 (2r)-n,3-diphenyl-2-sulfanyl-propanamide +c1ccc(cc1)CCCCNC=O V87 n-(4-phenylbutyl)formamide +c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8 V8A 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O V8B 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one +CCOC(=O)c1cncn1[C@H](C)c2ccccc2 V8D ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate +CCCCC1CCC(CC1)C(=O)O V8G trans-4-butylcyclohexane-1-carboxylic acid +C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O V8H [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O V8K dolichylphosphate +c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O V8M n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1cc(cc(c1)CN)CC(=O)O V8N 2-[3-(aminomethyl)phenyl]ethanoic acid +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O V8P (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide +C1C[C@H](NC1)[C@H](N)O V8W (r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O V8Y 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid +C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C V8Z (1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4 V91 n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 V95 methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate +c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V97 n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid +c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 V98 ~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9A n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid +CCC(=O)c1cc([nH]c1)C(=O)NC V9B n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CCNC(=O)O V9C 2-phenylethylcarbamic acid +c1cc(cc(c1)C(=O)NO)C(=O)NO V9D n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide +CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O V9G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine +C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O V9H 3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide +c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F V9J 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol +C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O V9K 2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide +C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C V9M (3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium +C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5 V9N (3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide +CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6 V9Q (3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4 V9S 6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O V9T 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9V n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid +CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C V9W (3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol +c1cc(oc1C(=O)NO)C(=O)NO V9Y n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide +Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC V9Z n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide +CCCCCC\C=C/CCCCCCCCCCOC(=O)C VA (z)-octadec-11-enyl acetate +B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O VA1 {5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid +[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O VA3 trivanadate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N VA4 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N VA5 9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N VA6 9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N VA7 2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C VA8 ~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide +CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VAA n-[valinyl]-n'-[adenosyl]-diaminosufone +C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O VAB 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid +c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O VAC n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide +CC(C)[C@H](C(=O)O)O VAD deaminohydroxyvaline +c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O VAE 3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)[C@@H](C(=O)C)N VAF methylvaline +CC[C@H]([C@@H](C(=O)O)N)O VAH (3r)-3-hydroxy-l-norvaline +CC(C)[C@@H](C(O)O)N VAI (2s)-2-amino-3-methylbutane-1,1-diol +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O VAJ [1,1'-biphenyl]-3,4'-dicarboxylic acid +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O VAK methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +CC(C)[C@@H](C(=O)O)N VAL valine +CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 l-valine c-terminal deprotonated fragment +CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H l-valine c-terminal protonated fragment +CC(C)[C@@H](C(=O)O)N VAL_LFOH l-valine free neutral +CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW l-valine free zwitterion +CC(C)[C@@H]([C-]=O)[NH-] VAL_LL l-valine - linking embedded fragment +CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 l-valine n-terminal protonated fragment +c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O VAO 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C VAP 6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O VAQ 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N VAR 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O VAS (2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O VAT 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O VAU (1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O VAW (2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate +C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O VAY {(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate +CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O VAZ n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine +CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N VB1 n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB2 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +C[C@@H](CC1CCCCC1)NCc2ccccc2O VB3 2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O VB4 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB5 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N VB7 {(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate +CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C VB8 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N VBA [(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate +c1cc(cc(c1)C(=O)O)c2ccc(cc2)N VBC 3-(4-aminophenyl)benzoic acid +C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C VBD (7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC VBE 1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F VBG 2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile +CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC VBH n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide +CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N VBM methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C VBN (4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O VBP 4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid +CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C VBS (3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O VBV [1,1'-biphenyl]-4,4'-disulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C VBY 5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O VBZ (1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O VC1 methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate +CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C VC2 (3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-] VC3 3-(4-nitrophenyl)-1h-pyrazole +COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O VC4 methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O VC5 methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VC6 4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O VC7 5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VC8 4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O VC9 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CCCCCCC=CCCCCCCCCCC(=O)O VCA vaccenic acid +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C VCD 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole +c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O VCE 3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO VCG 2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside +CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C VCH (1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide +c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F VCJ tetrakis(4-fluorophenyl)phosphanium +CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O VCK (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O VCP (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-] VCS 4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C VCV n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O VCW [(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC VCY [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VD1 5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol +CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O VD2 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C VD3 (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol +C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD4 (1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD5 (1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C VD8 3,5-di~{tert}-butylbenzenesulfonamide +CCCSc1ccc(cc1)S(=O)(=O)N VD9 4-(propylsulfanyl)benzenesulfonamide +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDA (1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDB (1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F VDJ [4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate +C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O VDK [(1s,3s)-3-carboxycyclohexyl]azanium +C[C@H]([C@H](C(=O)O)N)N VDL (2r,3r)-2,3-diaminobutanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO VDM (1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol +CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C VDN 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O VDO [(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate +C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C VDP (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one +c1cc(ccc1N)N2CCOCC2 VDQ 4-morpholin-4-ylaniline +C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O VDS beta-d-allofuranose +C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O VDV alpha-d-allofuranose +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] VDW [(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C VDX 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C VDY 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol +C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VDZ 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] VE4 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3 VE5 n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide +COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O VE7 [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C VEA 5-oxa-protoporphyrin ix containing fe +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O VEB [oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O VED 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-] VEE (1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC VEG ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate +Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5 VEH 6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC VEJ n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br VEK 6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC VEM n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6 VEN 2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3 VEP n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5 VEQ n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C VER iron-octaethylporphyrin +C1CCNC1 VES pyrrolidine +C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O VET [(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC VEV n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5 VEW n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC VEY n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC VF1 (2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol +CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl VF2 4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline +C[C@@H]1CCC[C@H](C1)O VF4 (1r,3s)-3-methylcyclohexan-1-ol +COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4 VFA n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide +c1ccc2c(c1)[nH]c3[n+]2nc[nH]3 VFB 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium +C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F VFC n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O VFD olodanrigan +CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl VFE 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide +CCC(=O)Nc1nnc(s1)S(=O)(=O)N VFG n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +CCCC(=O)Nc1nnc(s1)S(=O)(=O)N VFJ n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide +CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VFM 2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl VFN ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3 VFP 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3 VFS n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl VFT 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F VFV n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC VFW 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide +CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC VFY methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl VFZ ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O VG0 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O VG1 alpha-d-glucose-1-phosphate-6-vanadate +Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3 VG2 4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O VG3 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide +CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG4 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG5 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O VG6 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O VG7 n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6 VG8 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one +CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC VG9 6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5 VGA 1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol +CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 VGB (5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O VGC 6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid +c1cc2c(cc1Cl)[nH]c(n2)N VGD 6-chloro-1h-benzimidazol-2-amine +c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl VGF 1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine +Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N VGG 1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VGH 3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine +c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O VGI 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O VGJ (3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid +COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O VGK 4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid +c1cnc(cn1)C(=O)O VGL pyrazine-2-carboxylic acid +COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N VGM 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide +CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3 VGN 2-acetamido-5-(4-phenylphenyl)benzoic acid +C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O VGP (1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl VGQ 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VGS 2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N VGV n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide +CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C VGW 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile +C(CO)C(=O)C(=O)O VGX 4-hydroxy-2-oxobutanoic acid +C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O VGY 2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN VH0 (2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O VH1 2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate +c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O VH2 n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide +CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O VH4 1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VH5 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O VH7 n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide +CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VH8 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide +Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2 VHA 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine +Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VHB 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C VHC 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2 VHD 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol +Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C VHE 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione +CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C VHG 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O VHH 5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O VHI 5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHJ n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide +CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHK 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHM n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide +C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHN (2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C VHP n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl VHQ 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile +C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VHS 3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine +COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F VHT methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VHV n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC VHW methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) +CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC VHY (2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate +C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHZ (2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O VI 1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C VIA 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO VIB 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C VIF flopristin +CC[C@H](CCC(=O)O)N VIG 4-amino hexanoic acid +c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O VII 2,5-diphenylfuran-3,4-dicarboxylic acid +CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O VIN 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one +CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N VIO n5-(1-imino-3-butenyl)-l-ornithine +Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC VIQ 4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C VIR virginiamycin m1 +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl VIS 2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C VIT vitamin e +Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C VIV (2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol +CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O VJ1 2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose +CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ2 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile +CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC VJ4 2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose +C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ5 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile +C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C VJ6 valerjesomycin +CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VJA n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl VJE 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O VJG {(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C VJH 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide +c1ccc(cc1)Oc2cccc(c2)C(=O)O VJJ 3-phenoxybenzoic acid +CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3 VJK (2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O VJM 4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine +CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O VJN 8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one +c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O VJS {(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O VJV (1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C VJZ 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N VK1 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C VK2 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile +CC1=CC(=O)c2ccccc2C1=O VK3 menadione +C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl VK4 (4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid +Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C VK5 ~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O VK7 trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O VKA 3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +C(COCC(=O)O)O VKC (2-hydroxyethoxy)acetic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O VKD cobimetinib +c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O VKE [(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5 VKG n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+] VKH (1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6 VKJ 2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate) +c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O VKK p-coumaroyl glucose +Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F VKM 1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O VKN (1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N VKP 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC VKQ 5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide +C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N VKS (3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C VKT 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO VKV 2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol +Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3 VKW 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6 VL1 gedatolisib +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C VL2 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O VL4 (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3 VL5 (2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO VL7 1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2 VLA n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O VLB (2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VLD (2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 VLE 1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one +COc1cccc(c1)c2ccc(cc2)C(=O)O VLG 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid +C[C@H]([C@@H](C(=O)O)N)N VLL (2s)-2,3-diaminobutanoic acid +CC(C)[C@@H](C(=O)N)N VLM valinylamine +CCCCCCCCCCCCCCCC(=O)OC(CO)CO VLP 1,3-dihydroxypropan-2-yl hexadecanoate +C(C(=O)O)NC(CO)(CO)CO VLS n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine +c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O VLT (2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid +Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C VLV n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VLY 1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)OC(CO)CO VLZ 1,3-dihydroxypropan-2-yl dodecanoate +c1cc(sc1)c2cc(cnc2)C(=O)O VM1 5-(2-thienyl)nicotinic acid +C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO VM2 (1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VM4 6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O VM7 3-(3-methylsulfonylphenyl)benzoic acid +C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VMA 1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4 VMC 2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol +CC(C)[C@@H](C(=O)OC)N VME methyl l-valinate +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO VMG 5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO VMJ 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O VMM etx0462 (bound form) +c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O VMP n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide +CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VMS 5'o-[n-(l-valyl)sulphamoyl]adenosine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2 VMV n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N VMX 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine +Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O VMY (1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol +[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N VN1 4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide +O=[V-](=O)=O VN3 vanadate ion +[O-][V](=O)=O VN4 oxido(dioxo)vanadium +CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O VND (1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl VNF 4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl VNI n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CC(=O)c1ccccc1N VNJ 2-aminoacetophenone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O VNK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +COc1cc(ccc1O)C(=O)[O-] VNL 4-hydroxy-3-methoxybenzoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VNM (2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O VNP 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um +C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O VNR 1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6 VNS (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl VNT n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3 VNY para-biphenyl methylene c-linked mannoside +Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3 VO1 3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3 VO2 3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-] VO3 tetrametavanadate +[O-][V](=O)([O-])[O-] VO4 vanadate ion +CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC VO7 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +C=Cc1ccc(cc1)CS(=O)(=O)O VOD (4-vinylphenyl)methanesulfonic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO VOG (1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COc1ccc(cc1OC)CO VOH veratryl alcohol +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F VOJ 3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +CC(C)[C@@H](CO)N VOL l-valinol +C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N VOM 2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide +C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F VOP [6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid +C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O VOR voriconazole +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O VOV harderoheme (iii) +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5 VOY (2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide +CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O VP7 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol +[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O VPA 2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine +c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7 VPC phthalocyanine containing ga +COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O VPD 6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O VPF n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide +c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl VPG 6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F VPJ n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine +CC(C)[C@@](CC(=O)O)(C(=O)O)O VPM (2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O VPP (2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCC(CCC)C(=O)N VPR 2-propylpentanamide +c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O VPS 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid +CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O VPU [[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate +C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N VPV (2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C VPX ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O VPY s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO VQ1 n-acetylpuromycin +CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4 VQ7 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one +C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O VQA 10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F VQD (3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide +C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F VQG 3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide +Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C VQI (e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F VQJ 3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F VQP n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea +C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5 VQS n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O VQV 1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 VQY 9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate +CC(C)CO[P@@](=O)(C)O VR 2-methylpropyl hydrogen (r)-methylphosphonate +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC VR0 n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-] VR1 (2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide +C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I VR2 1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3 VR4 n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide +c1cc(c(cc1c2ccsc2)C(=O)O)O VR7 2-hydroxy-5-(thiophen-3-yl)benzoic acid +COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F VRA n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide +CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C VRB phycoviolobilin, blue light-absorbing form +CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N VRD ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC VRG n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid +CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F VRJ n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide +Cc1cc([nH]n1)c2cccnc2 VRM 3-(3-methyl-1h-pyrazol-5-yl)pyridine +COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O VRO 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O VRP myriocin +CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N VRT 2'-(l-norvalyl)amino-2'-deoxyadenosine +c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N VRV 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O VRX (2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid +c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VRZ 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea +c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VS0 n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4 VS1 3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS2 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS3 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4 VS4 3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N VS8 n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VSA 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSB 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VSC n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester +CCCCCCCCCCCCCCCC(=O)[C@H](CO)N VSD 3-dehydrosphinganine +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSE 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5 VSF 5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 VSG 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N VSH tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N VSI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide +Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C VSK (2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide +C=CS(=O)(=O)O VSO vinylsulphonic acid +CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N VSP n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3 VSV n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid +CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O VSY (3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol +c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O VT0 {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F VT1 (r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol +c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N VT2 (r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile +Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2 VT3 8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C VT4 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one +CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O VT5 (2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VT6 5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O VT7 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VT8 5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N VTA 4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile +C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O VTB 7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose +Cc1cc(n[nH]1)c2cccc(c2)Cl VTD 3-(3-chlorophenyl)-5-methyl-1h-pyrazole +Cc1ccc(cc1)CO VTG (4-methylphenyl)methanol +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3 VTI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C VTP (2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C VTQ rrr-alpha-tocopherylquinone +CC1=C[C@H](OC1=O)O VTY (5s)-5-hydroxy-3-methylfuran-2(5h)-one +c1cc(ccc1CN2CCCCC2)C(=O)O VU1 4-[(piperidin-1-yl)methyl]benzoic acid +c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl VU2 (2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine +c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 VU3 2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole +c1cc(ccc1CCN)C(=O)O VU4 4-(2-aminoethyl)benzoic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC VU7 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide +CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3 VUA 4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine +C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F VUD 6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4 VUG 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine +Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4 VUJ 5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one +c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O VUM 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCn1c2cc(ncc2nc1c3c(non3)N)C VUP 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N VUR (s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid +[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUS 3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O VUV 3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUY 3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VV1 3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O VV4 3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O VV6 [[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium +c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO VV7 dendron-d3 +CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN VVA 2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate +CC(=O)Nc1ccc(c(c1)C(=O)O)F VVD 5-(acetylamino)-2-fluorobenzoic acid +CCS(=O)(=O)Nc1ccccc1F VVG n-(2-fluorophenyl)ethanesulfonamide +CN(C1CCCCCC1)S(=O)(=O)C VVJ n-cycloheptyl-n-methylmethanesulfonamide +c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N VVM 4-amino-n-phenylbenzene-1-sulfonamide +O=[V+2] VVO oxovanadium(2+) +COc1cccc2c1cc[nH]2 VVP 4-methoxy-1h-indole +Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl VVQ 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide +CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3 VVS 2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol +c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3 VVT 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine +CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC VVV 5,6,8-trimethoxy-4-methylquinolin-2(1h)-one +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6 VVX 6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole +c1ccc(cc1)OCC(=O)N2CCCC2 VVY 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one +C[C@@H](C(=O)N)Oc1ccc(cc1)C#N VW1 (2s)-2-(4-cyanophenoxy)propanamide +C[C@H](CS(=O)(=O)N)c1ccccc1 VW4 (2s)-2-phenylpropane-1-sulfonamide +Cc1ccc(c2c1NCCC2)NC(=O)C VW7 n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide +C[C@@H](c1ccc(cc1)F)NC VWA (1s)-1-(4-fluorophenyl)-n-methylethan-1-amine +CS(=O)(=O)C[C@@H](c1ccccc1)O VWD (1r)-2-(methylsulfonyl)-1-phenylethan-1-ol +c1ccc2c(c1)ccc(n2)C(=O)NO VWG n-hydroxyquinoline-2-carboxamide +CC(C)Nc1[nH]c2ccccc2n1 VWJ n-(propan-2-yl)-1h-benzimidazol-2-amine +CC(=O)N1CCC[C@@](C1)(C(=O)O)O VWM (3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid +Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4 VWN 2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3 VWP n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide +Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O VWS 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid +CCOC(=O)CN1CCS(=O)(=O)CC1 VWV ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate +c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N VWW l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide +CCNC(=O)c1ccc(cc1)NS(=O)(=O)C VWY n-ethyl-4-[(methylsulfonyl)amino]benzamide +CCO[P@](=O)(C)O VX o-ethylmethylphosphonic acid ester group +c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl VX1 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine +c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4 VX2 n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine +c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O VX3 2,3-diphenyl-1h-indole-7-carboxylic acid +C[C@H]1CCCN(CC1)C(=O)c2cscn2 VX4 [(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C VX6 cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide +CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C VX7 n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F VX8 lumacaftor +C[P@H](=O)[O-] VXA methylphosphonic acid ester group +Cc1c(cccc1Cl)NC(=O)CN VXD n-(3-chloro-2-methylphenyl)glycinamide +CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2 VXG (3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid +c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F VXJ n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC VXL (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O VXM 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4 VXO 5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXP 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc2c(cc1CN)CCO2 VXQ 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4 VXR (5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one +c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O VXS 4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(c2c(c1)OCCCO2)CN VXU 3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine +c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXV 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +COc1cc(ccc1O)C(=O)OC VXX methyl vanillate +c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F VXY 2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate +CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY1 (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide +C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY4 tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate +c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3 VY7 1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid +CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N VYA 2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl VYD (3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYE (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYF (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F VYG 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F VYI n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C VYJ 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 VYM (7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone +c1cnc(nc1c2cnc(nc2)N)N3CCOCC3 VYP 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine +CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O VYR n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide +c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYV 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide +Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYY 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C VZ1 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C VZ4 (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C VZ5 (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate +CC(C)(COC(=O)O)c1cccc(c1)Cl VZ7 2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate +c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F VZD 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C VZG 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4 VZJ 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +COc1ccc(cn1)NC(=O)Nc2cccs2 VZM n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea +CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 VZP n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea +Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC VZS n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea +CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C VZV 1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide +Cc1cccc(c1)C(=O)NCC(=O)O VZY n-(3-methylbenzene-1-carbonyl)glycine +C(CCCCCOC(=O)S)CCCCC(=O)O VZZ 11-[(mercaptocarbonyl)oxy]undecanoic acid +[W+6] W tungsten ion +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C W01 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C W02 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C W03 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol +Cc1ccnc(c1)NC(=O)CNC W04 n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide +C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N W05 delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F W06 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid +CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O W07 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W09 n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan +CCCC(=O)NCc1[nH]c2ccccc2n1 W0A n-[(1h-benzimidazol-2-yl)methyl]butanamide +c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 W0D n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide +CN[C@@H]1CCN(C1=O)c2ccccc2F W0G (3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one +CCCCCCc1cc(c(cc1F)Oc2ccccc2)O W0I 4-fluoro-5-hexyl-2-phenoxyphenol +CN[C@@H]1CCCN(C1)c2cccnn2 W0J (3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine +C[C@H](C(=O)N)Oc1ccc(cc1)Cl W0M (2r)-2-(4-chlorophenoxy)propanamide +C[C@H](C(=O)O)Oc1ccccc1F W0P (2r)-2-(2-fluorophenoxy)propanoic acid +COc1cc(cc(c1OC)OC)CN W0S 1-(3,4,5-trimethoxyphenyl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W0T (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid +CC(C)C(=O)NCc1[nH]c2ccccc2n1 W0V n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide +CNC(=O)c1ccc(cc1)S(=O)(=O)N W0Y n-methyl-4-sulfamoylbenzamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W10 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F W11 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole +CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O W12 (2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol +c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl W13 (5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one +c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol +C(CCl)c1nnc(s1)N W16 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine +c1c(cn(n1)CCO)C(=O)N W17 1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide +c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO W19 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +CS(=O)(=O)NCC1CCNCC1 W1A n-[(piperidin-4-yl)methyl]methanesulfonamide +CC(=O)c1ccc(cc1)OCC(=O)O W1D (4-acetylphenoxy)acetic acid +C=CCc1ccc(c(c1)O)Oc2ccccc2 W1G 2-phenoxy-5-(2-propenyl)phenol +CCCn1nc(nn1)NC(=O)c2ccco2 W1J n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide +Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O W1M 3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid +CC1=NN(C(=O)C1)c2ccccc2 W1P 5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one +c1cn2c(n1)[C@H](CCC2)C(=O)N W1S (8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)N W1V 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +CNCc1cnn(c1)c2ccccc2 W1Y n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W1Z (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid +C[C@@H](C(=O)O)NC(=O)C1CCCC1 W21 n-(cyclopentanecarbonyl)-l-alanine +CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O W22 [(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid +c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC W24 (2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide +CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2 W27 1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one +CCc1ccsc1c2ccc(c(c2)O)O W29 4-(3-ethylthiophen-2-yl)benzene-1,2-diol +C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N W2A (2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O W2C (2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2 W2D 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide +COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 W2E methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate +c1cscc1[C@H]2CCC[C@H]2C(=O)O W2G (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid +C[C@@H]1C[C@H](CNC1)CO W2J [(3r,5r)-5-methylpiperidin-3-yl]methanol +CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4 W2K 4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide +c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2 W2M (2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one +CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F W2P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide +c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5 W2R 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea +Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O W2S (3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid +COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O W2V (3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid +C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N W2X n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N W2Y (2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC W30 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl W31 (1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate +CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1 W32 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3 W33 5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cccc(c1)[C@@H]2CCOC[C@@H]2N W34 (3r,4s)-4-(3-methoxyphenyl)oxan-3-amine +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3 W35 5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C W37 n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +c1c(cn(n1)CC(=O)O)Br W3A (4-bromo-1h-pyrazol-1-yl)acetic acid +C1=CN(C(=O)C=C1Br)CC(=O)O W3D (4-bromo-2-oxopyridin-1(2h)-yl)acetic acid +C1=CC(=O)NN=C1 W3G pyridazin-3(2h)-one +C1CNC(=NC1)N W3J 1,4,5,6-tetrahydropyrimidin-2-amine +c1c([nH]cn1)C#N W3M 1h-imidazole-5-carbonitrile +c1cc2cccnc2nc1 W3P 1,8-naphthyridine +c1ccn2c(c1)nnc2N W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine +C1CN(CCC1C(=O)O)C(=O)N W3V 1-carbamoylpiperidine-4-carboxylic acid +C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl W3Y (5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione +c1cc(nn2c1nnn2)Cl W41 6-chlorotetrazolo[1,5-b]pyridazine +c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3 W42 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole +Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C W43 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O W44 (2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS W45 n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide +Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F W47 1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine +Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F W4A 5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide +c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4 W4D 3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4 W4G 3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F W4J (1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O W4M (hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol +c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O W4N (1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W4P n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cn1ccc2c1ncnc2N W4S 7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1nc2nc3c(c(n2n1)N)CCC3 W4V 6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine +CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S W4Y 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N W51 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine +Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W54 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W56 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cc(on1)Cn2cnc(c-3ncnc23)N W57 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine +CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C W59 5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cc1nc(cs1)Cn2cnc(c-3ncnc23)N W5A 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine +c1c[nH]c2c1c(ncn2)N3CCCCCOCC3 W5D 4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4 W5G 4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine +CN(CCC(=O)O)c1c2cc[nH]c2ncn1 W5J n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine +Cn1cnc2c1nc(nc2N)N W5M 9-methyl-9h-purine-2,6-diamine +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F W5P 4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C W5S 7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O W5V 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N W5Y 5'-o-(l-phenylalanylsulfamoyl)adenosine +c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W61 1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C W64 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC W66 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C W67 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC W68 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C W69 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl W6A 4-chloro-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)C(=O)N W6D 1h-indole-4-carboxamide +c1ccc(cc1)S(=O)(=O)Nc2nncs2 W6G n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide +c1ccnc(c1)N2CCCNCC2 W6J 1-(pyridin-2-yl)-1,4-diazepane +Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O W6M 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid +c1ccc2c(c1)CC(=O)N2 W6P 1,3-dihydro-2h-indol-2-one +Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C W6Q (2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide +c1c[nH]nc1C2CCNCC2 W6S 4-(1h-pyrazol-3-yl)piperidine +c1ccc(cc1)C(=O)Nc2nccs2 W6V n-(1,3-thiazol-2-yl)benzamide +CC(=O)C(F)(F)F W6X 1,1,1-tris(fluoranyl)propan-2-one +c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O W6Y 5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C(F)(F)F)(O)O W6Z 1,1,1-tris(fluoranyl)propane-2,2-diol +c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W70 2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3 W71 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O W72 6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid +c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O W73 2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F W74 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O W75 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W76 5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl W77 2,4-dichloro-n-(pyridin-3-yl)benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC W79 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7A 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7B 5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7C 5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7D 5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O W7E 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid +COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7F 5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O W7G 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7H 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W7I 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W7J 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O W7K 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7L 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7M 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO W7N 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O W7O 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O W7P 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7Q 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)CNC(=O)c2cnccn2 W7S n-benzylpyrazine-2-carboxamide +CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3 W7V (1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide +c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4 W7Y 4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC W80 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-] W81 (5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC W82 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine +COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W83 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W84 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W85 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O W86 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O W87 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W88 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O W8A {[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid +c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N W8D 3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine +c1c[nH]c2c1c(nc(n2)N)N3CCSCC3 W8G 4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N W8J 3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl W8L 3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one +COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C W8M 2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate +CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W8P n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C W8R 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8S (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone +Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8V (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br W8X {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O W8Y (5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone +COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W8Z 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W91 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole +c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W94 [(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone +CCC(CC)n1c2c(ncc(n2)C#C)nc1O W97 6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol +C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C W99 [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone +CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O W9A (1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C W9D 5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one +COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O W9G (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol +CSCC[C@@H](C(=O)O)NC(=O)N W9J n-carbamoyl-l-methionine +CCNC(=O)Nc1cccc2c1cccc2 W9L 1-ethyl-3-naphthalen-1-ylurea +CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl W9M 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea +c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9P (1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N W9S (1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O W9T 4-o-beta-d-galactopyranosyl-beta-d-fructofuranose +c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9V (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol +c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9Y (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C W9Z 6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline +c1ccc(cc1)NC(=O)Nc2cnns2 WA1 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea +C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO WA2 (2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol +c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O WA3 (2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol +[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O WA5 4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WA7 (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C WAA (2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid +CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O WAC n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide +CCCCCCCC[C@H](CCCCCCCCC(=O)O)O WAD (10r)-10-hydroxyoctadecanoic acid +Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN WAI 4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine +C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N WAM 2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N WAN 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N WAQ pimeloyl-amp +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAS 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAV (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol +Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO WAY n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide +Cc1ccc2c(c1)[nH]cc2C(=O)O WB1 6-methyl-1h-indole-3-carboxylic acid +CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5 WB4 n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3 WB7 1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5 WBA n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +c1cc2c(cc1Cl)nc([nH]2)Cl WBD 2,5-dichloro-1h-benzimidazole +COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6 WBG 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4 WBI n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O WBJ (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5 WBM 2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1ccc(c(c1)c2cccc(c2O)O)O WBP 3-(2-hydroxyphenyl)benzene-1,2-diol +c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6 WBS 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5 WBT 3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide +C1=C(C(=O)NC(=O)N1)N WBU 5-amino-1h-pyrimidine-2,4-dione +Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C WBV (2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid +Cc1nc2c(s1)C(=O)N(C(=O)N2)O WBY 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione +C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C WC1 (2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid) +COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O WC4 (1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol +c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O WC7 6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O WCA p-coumaroyl-coa +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 WCC fe(3)-ni(1)-s(4) cluster +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O WCD (2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +c1cc(cc(c1)Cl)C(=O)N WCE 3-chloro-benzamide +COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O WCG (1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol +C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N WCM (2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name) +O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WCO co-substituted alpha-keggin +c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2 WCP (4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one +c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O WCR [(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid +CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3 WCS 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine +c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3 WCU ~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine +C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4 WCV cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C WCX 4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3 WCY n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide +C1C[C@@H](C[C@H](C1)F)CNCC(O)O WD1 2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol +CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C WD7 n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide +CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C WDA 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C WDD 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione +CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C WDG 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid +CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C WDJ 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1(nc(nc(n1)O)O)O WDL 1,3,5-triazine-2,4,6-triol +CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C WDM 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one +C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C WDP sequanamycin 9 +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO WDR (4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one +CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4 WDS 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-] WDT 2-nitro-5-(phenylsulfonyl)phenol +c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl WDU 4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide +c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F WDV 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3 WDW 3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO WDX [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4 WDY n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide +CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3 WE0 (3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 WE1 4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide +c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O WE4 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid +Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N WE7 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O WEF n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine +c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4 WEG 2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C WEJ 4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide +CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C WEM methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O WEP n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC WES (2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate +C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C WEV (5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose +C(COCCOCC(=O)NCCOCCOCC(=O)O)N WF1 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid +Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F WF3 methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O WF4 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C WF7 n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide +CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3 WF8 5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O WFA 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C WFD 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one +CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N WFE n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide +c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2 WFF 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 WFG 6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O WFJ 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid +c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O WFM (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(cc1F)F)C[C@@H](C(=O)O)N WFP 3,5-difluoro-l-phenylalanine +Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O WFS (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O WFV (1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol +Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F WFY 4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O WG1 6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C WG4 n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O WG7 (3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid +c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O WG8 (4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CN(C[C@H]1O)c2c(cccn2)F)C WGA (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F WGD 1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine +COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2 WGG n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide +CC1(CN(C[C@@H]1O)c2c(cccn2)F)C WGM (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +CN(C)C(=O)CNc1ccccc1 WGP n,n-dimethyl-n~2~-phenylglycinamide +c1cc(c(nc1)NCC2CCOCC2)F WGS 3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine +CCOC(=O)c1c(csc1N)c2cccs2 WGT ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate +c1ccc(cc1)C#CCN2CCCCC2 WGV 1-(3-phenylprop-2-yn-1-yl)piperidine +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 WGX ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)S(=O)(=O)N WGY n-(4-sulfamoylphenyl)propanamide +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C WGZ 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +CN(CCc1ccccn1)C(=O)c2ccccc2 WH1 n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide +CC(C)Nc1cccnc1 WH4 n-(propan-2-yl)pyridin-3-amine +c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O WH6 2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +C[C@@H](CNCc1c(cccc1Cl)Cl)O WH7 (2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N WHA 4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide +c1cc(ccc1CNCc2ccc(cc2)F)C#N WHD 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile +c1cc(sc1)C(=O)CCc2nnc(s2)N WHF 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one +c1conc1CN2CCNCC2 WHG 1-[(1,2-oxazol-3-yl)methyl]piperazine +COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F WHH 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O WHJ carmoterol +c1cc(cc(c1)F)CN2CCCS2(=O)=O WHM 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione +C[C@H](c1ccccc1Cl)NS(=O)(=O)C WHP n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide +Cc1csc(n1)NC[C@H]2CCCO2 WHS 4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br WHU 2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide +Cc1c(sc(n1)C)[C@@H](C)NC WHV (1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine +CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O WHW 9s,13r-12-oxophytodienoic acid +CN(C)Cc1ccc(cc1)C#N WHY 4-[(dimethylamino)methyl]benzonitrile +COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N WI2 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl WI4 n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine +Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6 WI5 {(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O WIA methyl 6-thio-beta-d-galactopyranoside +CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O WIN methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate +c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 (s)-2-chloro-3-phenylpropanoic acid +c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 (2r)-2-chloro-3-phenylpropanoic acid +C1COCCN1Cc2c(snn2)Cl WJ4 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine +CN(C)C(=O)c1ccc(cc1Br)F WJ7 2-bromo-4-fluoro-n,n-dimethylbenzamide +Cc1cc(no1)CS(=O)(=O)NC WJA n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide +COCC(=O)Nc1ccccc1 WJD 2-methoxy-n-phenylacetamide +COc1ccc(cc1)[C@@H](c2ccccc2)N WJG (s)-1-(4-methoxyphenyl)-1-phenylmethanamine +C[C@@H](Cc1ccc(cc1)Br)C(=O)N WJJ (2r)-3-(4-bromophenyl)-2-methylpropanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N WJM 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC WJP methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate +[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O WJS (2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid +Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2 WJV n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea +C[C@@H](C(=O)NCC(=O)O)S WJZ tiopronin +C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C WK1 (2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid +CN(C)C(=O)OCCn1ccnc1 WK4 2-(1h-imidazol-1-yl)ethyl dimethylcarbamate +c1cc(c(cc1C#N)F)N2CCNCC2 WK7 3-fluoro-4-(piperazin-1-yl)benzonitrile +CC(=O)Nc1cccc2c1non2 WKA n-(2,1,3-benzoxadiazol-4-yl)acetamide +C[C@H](C(=O)N)Oc1ccc(cc1)C#N WKD (2r)-2-(4-cyanophenoxy)propanamide +CC(=O)N1CCCC2(C1)CCCCCC2 WKG 1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one +c1cc(ccc1CN2CC[C@H](C2)O)Cl WKJ (3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol +CC(C)[C@@H](C(=O)N1CCOCC1)N WKM (2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one +COc1ccc(cc1)C(=O)C2CCNCC2 WKP (4-methoxyphenyl)(piperidin-4-yl)methanone +Cc1cc(nc(n1)C)N2CCNCC2 WKS 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine +CC(=O)NCc1cc(ccc1OC)Br WKV n-[(5-bromo-2-methoxyphenyl)methyl]acetamide +Cc1cnccc1NC(=O)C WKY n-(3-methylpyridin-4-yl)acetamide +COC(=O)c1ccc(cc1)S WL1 methyl 4-sulfanylbenzoate +c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O WL3 2-(4-fluorophenyl)carbonylbenzoic acid +CC(C)C(=O)Nc1cccc(c1)C#N WL4 n-(3-cyanophenyl)-2-methylpropanamide +CN(CCO)S(=O)(=O)c1ccc(cc1)N WL7 4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide +C1COCCC1CN2CCNCC2 WLA 1-[(oxan-4-yl)methyl]piperazine +C[C@@H](CNCc1c(cccc1Cl)Cl)O WLD (2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +C1CC2(CC2)CN(C1)C(=O)COC(F)F WLG 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one +CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 WLH 2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F WLJ (azepan-1-yl)(2,6-difluorophenyl)methanone +COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2 WLL n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl WLM 5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide +c1ccc(c(c1)S)Cl WLP 2-chlorobenzene-1-thiol +c1cc(sc1)CNCc2ccncc2 WLS 1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine +C[C@H](C[C@@H](C(=O)O)NC)CO WLU (4r)-5-hydroxy-n-methyl-l-leucine +c1ccc(cc1)OCC(=O)Nc2cccc(c2)F WLV n-(3-fluorophenyl)-2-phenoxyacetamide +Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2 WLY 2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide +c1ccnc(c1)C(=O)N WM1 pyridine-2-carboxamide +C1CCC(CC1)C(=O)N WM2 cyclohexanecarboxamide +c1ccc(cc1)S(=O)(=O)NN WM3 benzenesulfonohydrazide +c1ccc(cc1)C(=O)NN WM4 benzohydrazide +c1ccc(cc1)CN[C@H]2CCNC2 WM7 (3s)-n-benzylpyrrolidin-3-amine +C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl WM9 (2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine +CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 WMA (3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C[C@H](c1ccccc1F)N2CCNCC2 WMD 1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine +C[C@@H](c1ccccc1F)N2CCNCC2 WMG 1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine +Cn1ccnn1 WMH 1-methyl-1h-1,2,3-triazole +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O WMJ 1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea +c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 WMM n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine +[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O WMP [(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C WMR 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine +Cc1ncc(s1)CNc2cc(cnc2)F WMS 5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine +Cc1c(c(on1)C)C(=O)NCCC2CCCCC2 WMV n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide +c1cc(cc(c1)Cl)C(=O)Nc2ccon2 WMY 3-chloro-n-(1,2-oxazol-3-yl)benzamide +COc1cccc(c1)C(=O)Nc2ccccc2F WN1 n-(2-fluorophenyl)-3-methoxybenzamide +Cc1cccc(n1)NC(=O)[C@@H]2CCCN2 WN4 n-(6-methylpyridin-2-yl)-l-prolinamide +C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O WN6 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1cc(cnc1)NCc2ccncc2 WN7 5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine +Cc1ccccc1CNc2nnnn2C WNA 1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine +CC(C)(CNC1CCOCC1)O WND 2-methyl-1-[(oxan-4-yl)amino]propan-2-ol +c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2 WNG n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine +O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WNI ni-substituted alpha-keggin +c1ccnc(c1)NC[C@@H]2CCNC2 WNJ n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine +c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N WNM (3s)-1-(phenylsulfonyl)pyrrolidin-3-amine +c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4 WNN 4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide +c1cc(cc(c1)Cl)NC(=O)C(F)(F)F WNP n-(3-chlorophenyl)-2,2,2-trifluoroacetamide +CCCC(=O)Nc1cccnc1Cl WNS n-(2-chloropyridin-3-yl)butanamide +Cc1cccc(c1C)C(=O)N(C)C WNV n,n,2,3-tetramethylbenzamide +CC(=O)N1CCN(CC1)c2ccc(cc2)Cl WNY 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one +CN1CCC[C@H](C1)OC(=O)c2ccco2 WO1 (3r)-1-methylpiperidin-3-yl furan-2-carboxylate +[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] WO2 octadecatungstenyl diphosphate +O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O WO3 tri-tungsten(vi) oxide complex +[O-][W](=O)(=O)[O-] WO4 tungstate(vi)ion +O[W](O)(O)(O)O WO5 tungstate(vi) ion +[O-][W](=O)([O-])[O-] WO6 trioxido(oxo)tungsten +CC(=O)N1CCCNCC1 WO7 1-(1,4-diazepan-1-yl)ethan-1-one +CN[C@H]1CCCN(C1=O)c2ccccc2 WOA (3s)-3-(methylamino)-1-phenylpiperidin-2-one +CC(C)(CC(=O)O)C(=O)O WOC 2,2-dimethylbutanedioic acid +C1CNC[C@@H]1c2nc(no2)C3CC3 WOD 3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole +COc1ccccc1c2cc(nc(n2)N)Cl WOE 4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine +CCCC/C(=C/COP(=O)(O)O)/C WOG (2e)-3-methylhept-2-en-1-yl dihydrogen phosphate +C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C WOJ (3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine +c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N WOM picloram +C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O WOO beta-l-allopyranose +CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4 WOP 5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3 WOS 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)[NH3+] WOT phenylazanium +Cc1ccc(n1c2ccc(cc2C(=O)O)O)C WOV 2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid +Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C WOW 2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile +c1c2c(ncn1)NCC2 WOY 6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine +CC1(Cc2cccc(c2O1)C(=O)N)C WP1 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CN[C@@H]2CCNC2 WP4 (3r)-n-benzylpyrrolidin-3-amine +CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br WP5 methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate +CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl WP6 (4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline +CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl WP7 (4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline +CO[C@H](c1ccccc1)[C@@H](C(=O)O)N WPA (betar)-beta-methoxy-l-phenylalanine +c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1 WPC [29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O WPD (2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl WPE n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide +Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl WPF 3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N WPG (3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid +CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5 WPH 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC WPI 1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O WPJ (2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O WPL (1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C WPM n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O WPP piperacillin +Cc1c(c([nH]n1)N)C#N WPS 5-amino-3-methyl-1h-pyrazole-4-carbonitrile +c1c(cncc1Br)CN WPV 1-(5-bromopyridin-3-yl)methanamine +CC(=O)Nc1nccs1 WPY n-(1,3-thiazol-2-yl)acetamide +Cc1ccncc1CO WQ1 (4-methylpyridin-3-yl)methanol +Cc1nc(c(o1)N)C#N WQ4 5-amino-2-methyl-1,3-oxazole-4-carbonitrile +C1=CC(=O)N(C=C1)CCN WQ7 1-(2-aminoethyl)pyridin-2(1h)-one +c1c2c[nH]nc2ncc1N WQA 2h-pyrazolo[3,4-b]pyridin-5-amine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O WQD udp-4-deoxy-4-formamido-beta-l-arabinopyranose +c1ccc2c(c1)C(=O)NC=N2 WQG quinazolin-4(3h)-one +c1c(cnc2c1COCC2)N WQJ 7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine +CNC(=O)C1C=CC(=O)N=C1 WQM (3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O WQP 5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid +Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C WQQ 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O WQS 2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid +CC(=O)NC1=CC(=CNC1=O)Br WQV n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide +c1ccc2c(c1)cc(cn2)CN WQY 1-(quinolin-3-yl)methanamine +C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 WR1 nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide +CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C WR2 (2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide +Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-] WR7 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate +CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C WRA 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine +CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C WRB 1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine +c1cc2c(c(c1)O)CCC[C@H]2N WRD (5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC WRG (2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid +c1ccc2c(c1)C=C(CO2)C(=O)N WRJ 2h-1-benzopyran-3-carboxamide +CNC(=O)Cn1cnc2c1cccc2 WRM 2-(1h-benzimidazol-1-yl)-n-methylacetamide +c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O WRO 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O WRP (betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRR 4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRS 4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO WRV n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea +Cc1c(cc2ccc(cc2n1)F)C(=O)NC WRY 7-fluoro-n,2-dimethylquinoline-3-carboxamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O WS1 6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS2 6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS3 5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine +Cn1cc(cn1)C(=O)Nc2ccc(cc2)O WS4 n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide +CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N WS6 (9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione +CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N WS7 (9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N WSA 5'-o-[(l-tryptophylamino)sulfonyl]adenosine +CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N WSD 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one +CCn1cc(cn1)NC(=O)c2ccc(cc2)F WSG n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide +Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5 WSH benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate +CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C WSJ n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide +CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O WSK (2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol +c1ccc2c(c1)N(C(=O)CO2)CCCN WSM 4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one +O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9 WSQ octamolybdate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC WSS tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O WST (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol +Cc1nc(n(n1)CCC(=O)O)C WSY 3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid +C(C[C@@H](C(=O)O)N)CNC(=N)C=O WT2 (s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N WT4 n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine +CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WT7 5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine +CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WTA 5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2 WTC 6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O WTD 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F WTF [2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O WTG 2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N WTI 4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide +CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3 WTJ 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O WTM 2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl WTP 5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine +C[C@H]([C@](C)(C(=O)O)O)O WTZ (2r,3r)-2,3-dihydroxy-2-methylbutanoic acid +Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC WU1 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine +C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O WU4 (6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one +CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O WU7 (4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O WUA (4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium +c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O WUB (1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid +Cc1c([nH]c(n1)C)CN WUG 1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine +c1cc(oc1)CNC(=O)N WUJ n-[(furan-2-yl)methyl]urea +c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O WUL 8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +CN(C)Cc1csc(n1)N WUM 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl WUN 2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1 WUP 5,15-diphenylporphyrin containing fe +Cc1[nH]c2c(n1)C[C@@H](CC2)N WUS (5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O WUV 5'-thiothymidine +c1ccc(cc1)NC(=O)NCCN WUY n-(2-aminoethyl)-n'-phenylurea +C[C@H](c1ccc(cc1)NC(=O)C2CC2)N WV1 n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide +CCNc1ccc(cc1F)S(=O)(=O)C WV4 n-ethyl-2-fluoro-4-(methylsulfonyl)aniline +c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol +c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F WVA 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one +Cc1c(scn1)C(=O)N2CCNC(=O)C2 WVD 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F WVH 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1c(c([nH]n1)N)c2cccs2 WVI 3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine +C[C@H](C=C(C)C)[C@@H](C(=O)O)N WVL (2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid +C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1 WVP 5,15-bisethynyl-10,20-diphenylporphyrin containing fe +c1ccc(c(c1)c2cccc(c2)C(=O)O)F WVV 3-(2-fluorophenyl)benzoic acid +C[P@](=O)(OC1CCCCC1)F WW2 cyclohexyl (s)-methylphosphonofluoridoate +c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N WW3 4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN WW7 n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide +C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6 WW8 n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O WWF c2-1-hydroxy-3-methyl-butyl-thiamin +c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N WWL 5-(phenylsulfonyl)thiophene-2-sulfonamide +c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N WWV 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide +c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWX 2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F WWZ 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3 WX5 (2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O WXM 2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1 WXP 5,10,15-triphenylporphyrin cpntaining fe +CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C WXV n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl WY1 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid +c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O WY2 (6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid +c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3 WY3 7-hydroxy-4-(morpholinomethyl)chromen-2-one +c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O WY4 7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid +Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C WY5 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C WYD ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide +Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYE (2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one +COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYF (2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one +C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1 WYP 5-ethynyl-10,20-diphenylporphyrin containing fe +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C WYQ propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O WYV myristoyl coenzyme a +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O WZ1 methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O WZ2 methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O WZ4 methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside +CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C WZ6 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid +c1cnc(cc1C(=O)N)NC2CC=CC2 WZ7 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC WZA (9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C WZB (9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC WZC (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate +c1ccc2c(c1)[nH]c(n2)NCc3ccco3 WZD n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O WZG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CC[C@@H](C)[C@@H](C(=O)O)NC WZJ n-methyl-l-alloisoleucine +CN(c1ccc(nn1)C(=O)N)C2CCC2 WZM 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC WZO [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate +CC(C)C(=O)N1CCN(CC1)C(C)C WZP 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one +CC(=O)N1CCC(CC1)NCCc2ccccc2 WZS 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one +c1ccc(cc1)COP(=O)(O)O WZT (phenylmethyl) dihydrogen phosphate +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F WZV 5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide +COc1ccc(cc1)NC(=O)CN WZY n-(4-methoxyphenyl)glycinamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O X 2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate +C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN X00 {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +c1cc(c(cc1C#N)c2ncnc(n2)N)O X01 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile +C=CCNc1nc(c(s1)C(=O)c2ccccc2)N X02 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone +CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 X03 (5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O X04 (2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N X05 amino-castanospermine +c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O X06 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X07 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN X09 amino-australine +c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl X0A 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O X0B 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O X0D (r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid +C1CC1c2nc(on2)CN3CCOCC3 X0G 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6 X0J 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CC(=O)N[C@H]1Cc2ccccc2NC1 X0M n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC X0P 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid +c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N X0Q 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O X0R (r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid +CNS(=O)(=O)c1ccccc1Cl X0S 2-chloro-n-methylbenzene-1-sulfonamide +CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C X0T 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1c2c(cc3c1OCCO3)sc(n2)N X0U 6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine +c1cc(c(cc1C(F)(F)F)N)N X0V 4-(trifluoromethyl)benzene-1,2-diamine +Cc1nc2cc(c(cc2s1)OC)OC X0W 5,6-dimethoxy-2-methyl-1,3-benzothiazole +[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O X0X beta-d-talopyranuronic acid +CN1c2c[nH]cc2C(=O)N(C1=O)C X0Y 1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione +c1ccc(c(c1)c2nc(nc(n2)N)N)O X11 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N X12 2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid +C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C X13 n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium +CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1 X14 (5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O X15 1,3-bisphosphoglyceric acid +Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N X16 n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4 X17 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1 X19 (5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C X1A n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C X1E (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)CC(=O)NCc1ccc2c(c1)OCO2 X1G n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide +COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O X1H [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone +CC(=O)N1Cc2ccc(cc2C1)N X1J 1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one +CNCc1cccc(n1)OC X1M 1-(6-methoxypyridin-2-yl)-n-methylmethanamine +Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 X1N 2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O X1P 1-o-phosphono-alpha-d-xylopyranose +CCCS(=O)(=O)CCC(=O)O X1R 3-(propylsulfonyl)propanoic acid +C(CS(=O)(=O)O)C(=O)O X1S 3-sulfopropanoic acid +[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O X1X alpha-d-talopyranuronic acid +C1CCC(CC1)N2CC[C@H](N[C@H]2O)O X1Y (2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C X20 tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C X21 tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N X22 (3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N X23 (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN X24 tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate +Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5 X25 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine +CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C X26 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C X27 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N X28 3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid +c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl X29 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol +c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN X2A (6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide +Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C X2C 4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl X2D 6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F X2E 6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O X2F 2-deoxy-2-fluoro-alpha-d-xylopyranose +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N X2G 4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N X2J 4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C X2K (3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N X2L (3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C X2M (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F X2N posaconazole +CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N X2O (2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid +C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O X2P (1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N X2S 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N X2V 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O X2W n-acetyl-l-glutamyl 5-phosphate +CC(=O)[C@@](C)(C(=O)O)O X2X (2s)-2-hydroxy-2-methyl-3-oxobutanoic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O X2Y 2,4-di-o-sulfo-alpha-l-fucopyranose +CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C X30 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O X32 n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N X33 carborane inhibitor +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O X34 4-o-sulfo-alpha-l-fucopyranose +C=CCNc1nc(c(s1)C(=O)c2cccnc2)N X35 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N X36 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone +CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+] X37 4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl X39 4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N X3A [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X3G 4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate +CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O X3H pironetin +C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N X3J (2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid +CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O X3M (2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C X3P [(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate +Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F X3S 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl X3V 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O X3X bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate +c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F X3Y 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X40 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-] X41 1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate +c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X42 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X43 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N X44 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4 X45 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N X46 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4 X47 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +c1ccc(cc1)C2=NC(=O)C(=CC2)O X48 3-hydroxy-6-phenylpyridin-2(5h)-one +C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O X4A [(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl X4B 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C X4C 8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5 X4D 7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine +Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X4G (3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol +c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X4M (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1cnc(cc1C(=O)N)Cl X4P 2-chloropyridine-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O X4S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anose +CN(C)c1ccnc(c1)N X4V n~4~,n~4~-dimethylpyridine-2,4-diamine +C1CCC(CC1)[C@@H]2C[C@@H](ON2)N X4Y (3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine +Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3 X4Z (3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CC(NCCCCN)(O)O X51 1-[(4-aminobutyl)amino]ethane-1,1-diol +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N X52 n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide +CC(NCCCCNCCCN)(O)O X54 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol +COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3 X55 (2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one +CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N X57 (2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid +CC(=O)NCCCCN X5A n-(4-aminobutyl)acetamide +c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O X5D (2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C X5G 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol +c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X5J (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C X5M (4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O X5S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anosyl-(1->4)-4-thio-beta-d-xylopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X5Y tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N X62 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N X63 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide +c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-] X64 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N X65 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide +c1cc(c(cc1O)c2nc(nc(n2)N)N)O X66 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol +c1cc(c(cc1F)c2nc(nc(n2)N)N)O X67 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol +COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X69 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N X6A 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide +c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X6B 4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O X6C (2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl X6D 6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine +Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C X6G 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6J tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5 X6K 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol +c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N X6L 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O X6M n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide +Cn1cccc1c2cccc(c2)C(=O)O X6P 3-(1-methylpyrrol-2-yl)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6S tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6V tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CNCc1cc(nn1C)c2ccccc2 X6W methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O X6X 2-amino-2-deoxy-alpha-d-galactopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O X6Y 2-o-sulfo-alpha-l-fucopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X71 tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N X72 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl X73 2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X74 tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl X75 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +c1ccc(c(c1)C(=O)N)NCc2cccnc2 X76 2-[(pyridin-3-ylmethyl)amino]benzamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4 X77 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O X7A [(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X7D tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O X7E (4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O X7G 1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7J tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7M tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N X7O 5-amino-3-methyl-pyrrolidine-2-carboxylic acid +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7P tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5 X7V n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C X7Y 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC X81 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO X84 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3 X85 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X86 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN X87 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2 X88 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide +c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl X89 1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O X8A [(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC1=CC2=NNC(=O)N2c3c1cccc3 X8D 5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4 X8E 5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O X8G 1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O X8I 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C X8J 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C X8M ipratropium +CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8P (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8S (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O X8U 2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid +[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N X8V 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide +c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O X8W (2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O X8Y (1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O X8Z l-captopril +CCCCCCCCCCCCCCCCC(=O)O X90 heptadecanoic acid +C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O X92 ramiprilat +C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O X93 trandolaprilat +CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O X94 perindoprilat +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O X95 (s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan +c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X96 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide +c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5 X97 3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione +c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5 X98 1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one +c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F X99 2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] X9D 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4 X9F n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O X9G 1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O X9I 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid +CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C X9J 3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6 X9M 4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide +Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C X9P 3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N X9Q {(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C X9S 3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C X9V 3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O X9X d-allitol +Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C X9Y 3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide +c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl XA0 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O XA1 {(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O XA2 (r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid +Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C XA4 (20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N XA6 (2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid +CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC XA7 tetrahexyl ammonnium +C[C@H]([C@@H](c1nccs1)N)O XAA (1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol +CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC XAC n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N XAD 9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N XAE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine +Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F XAF 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O XAG n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N XAH 5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine +CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C XAJ ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N XAL [(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl XAM (1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside +c1[nH]c2c(n1)C(=O)NC(=O)N2 XAN xanthine +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O XAO cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide +C(CN)CON XAP 3-aminooxy-1-aminopropane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N XAR [(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C XAT (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol +c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F XAV 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O XAX {[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum +Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O XAY 2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid +Cc1cc(n2c(n1)cc(n2)N)C XAZ 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine +CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C XB1 n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea +COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F XB7 1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4 XBA 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +C1C[C@H](CN=C1)N XBB (3s)-2,3,4,5-tetrahydropyridin-3-amine +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C XBD 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O XBG (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid +CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O XBJ 4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol +C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O XBK 4,5-de-epoxypimaricin +Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4 XBL 6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine +CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl XBM n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide +O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5 XBO heptamolybdate +C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O XBP xylulose-1,5-bisphosphate +c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl XBR 3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid +B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O XBS 3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid +CC[C@@H](C)C1=NCCS1 XBT 2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O XBU methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F XBV (3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C XBY 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide +Cc1ccc(c(c1)C)C XBZ 1,2,4-trimethylbenzene +C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O XC [(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl XC1 n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide +c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6 XC2 (3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O XC3 [(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium +c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4 XC4 1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O XC5 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F XC7 3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C XCA (8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid +S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe] XCC fe(4)-ni(1)-s(4) cluster +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C XCD 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide +COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N XCF 5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(o2)c3[nH]ccn3 XCG 2-(2-benzofuranyl)-2-imidazoline +Cc1cc(ccc1OCCCC(=O)NO)Cl XCH droxinostat +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O XCI [(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid +CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4 XCJ n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide +C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCL [(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C XCM 3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)SC#N XCN s-cyano-l-cysteine +O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O] XCO co-substituted beta-keggin +C1C[C@@H]([C@H](C1)N)C(=O)O XCP (1s,2s)-2-aminocyclopentanecarboxylic acid +C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCR [(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCS (1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCT 4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one +O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7 XCU cu-substituted alpha-keggin +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F XCV n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2 XCX 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid +c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCY {5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate +Cc1ccnc(n1)S(=O)(=O)N XCZ 1.7.6 4-methylpyrimidine-2-sulfonamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C XD1 (2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O XD2 (2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C XD4 [(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate +c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N XD5 [(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate +c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O XD6 (5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde +C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XD9 (4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O XDA 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate +c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N XDD n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +CNC[C@H](c1ccc(c(c1)O)O)O XDE 4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol +CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl XDH 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br XDI 4,4'-propane-2,2-diylbis(2,6-dibromophenol) +c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N XDJ n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine +c1cc(cnc1)c2ccnc(n2)N XDK 2-amino-4-pyridyl-pyrimidine +C1C[C@@H](C(=O)NC1)O XDL xylose-derived isofagomine lactam +CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C XDM ~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +C1[C@H](C([C@H](CN1)O)O)O XDN piperidine-3,4,5-triol +C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O XDP d-xylulose-2,2-diol-1,5-bisphosphate +CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O XDR hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate +CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO XDS (5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione +CC([C@H](C(=O)O)N)OC XDT o-methyl-d-allothreonine +C(COCCOCC(=O)N)N XDV 2-[2-(2-aminoethoxy)ethoxy]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O XDX (2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N XDY n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +[Xe] XE xenon +N(P(NP(=O)(O)O)(O)O)P(=O)(O)O XE1 n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid) +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O XE4 1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z) +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F XE7 3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide +C1CON[C@@H]1C#N XEA (3r)-1,2-oxazolidine-3-carbonitrile +CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N XEB 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O XED dextrofloxacine +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O XEG (2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +C[C@H](CC(=O)N)N XEJ (3r)-3-aminobutanamide +CCCCN1CCCC(=C1)C(=O)N XEN 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O XES {(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +COc1cccc(c1)c2cccc(c2)C(=O)O XEV 3-(3-methoxyphenyl)benzoic acid +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4 XEY 2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4 XEZ 6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N XF1 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O XF4 (5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione +c1cc2c(cc[nH]2)c(c1)N3CCNCC3 XF5 4-(piperazin-1-yl)-1h-indole +c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl XF7 (5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione +CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl XFA 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O XFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5 XFD 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile +Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N XFE (3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O XFG 3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C XFH 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O XFI n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C XFL 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) +[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O XFP 3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O XFS 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +C1CS(=O)(=O)C1 XFV 1lambda~6~-thietane-1,1-dione +C(CC(N)N)[C@@H](C(=O)O)N XFW (2s)-2,5,5-tris(azanyl)pentanoic acid +CCCCn1cc2c3ccccc3nc(c2n1)N XG1 2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N XG4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N XGA 6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC XGD 4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide +CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O XGH 2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide +C1N[C@H](NN1)N XGJ (3s)-1,2,4-triazolidin-3-amine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGL [(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +CCC(=O)NO XGM n-hydroxypropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O XGP 1-o-phosphono-beta-d-glucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGR [(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1CS(=O)(=O)N1 XGS 1lambda~6~,2-thiazetidine-1,1-dione +c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N XGU 2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one +c1cc(nnc1)N XGV pyridazin-3-amine +CN1C[C@H](NC1)N XGY (4s)-1-methylimidazolidin-4-amine +CC(C)NC(=O)N XH1 n-propan-2-ylurea +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O XH2 (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid +C1CNN[C@@H]1CO XH4 [(3r)-pyrazolidin-3-yl]methanol +C1CSC[C@H]1C(=O)O XH7 (3r)-thiolane-3-carboxylic acid +c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N XH8 7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2- +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O XHA 2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide +C(C#N)C(=O)N XHD 2-cyanoacetamide +C1C[C@@H](OC1)CN XHG 1-[(2r)-oxolan-2-yl]methanamine +C1CNN[C@@H]1N XHJ (3s)-pyrazolidin-3-amine +Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F XHM 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile +C=C1CN=C2C(=N1)C(=O)NC(=N2)N XHP 2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one +CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHS 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine +CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHV 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O XHY 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N XI1 n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F XI2 6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +c1ccc(cc1)C(=O)CC(=O)C(=O)O XI7 2-4-dioxo-4-phenylbutanoic acid +CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C XIA (2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid +C1CNC[C@H]([C@@H]1O)O XIF piperidine-3,4-diol +COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O XIG 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C XIH 2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile +C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O XIL (3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside +c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O XIM 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol +CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 XIN methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate +c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O XIS 4-diphenylphosphanylbenzoic acid +c1([nH]nc(n1)N)N XIX 3,5-diamino-1h-[1,2,4]triazole +c1ccc2c(c1)[nH]c(n2)CO XIY 2-hydroxymethyl-benzoimidazole +c1cnccc1\C=C\C(=O)O XIZ (e)-pyridin-4-yl-acrylic acid +c1c(cnc(n1)N)\C=C\C(=O)O XJ0 (e)-3-(2-amino-pyridine-5yl)-acrylic acid +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O XJ1 (2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid +CNC[C@H](CN1CCCc2ccccc2C1)O XJ2 (2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol +Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ3 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ4 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O XJ7 (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O XJ8 n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O XJA (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN XJD (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate +Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O XJE [(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2 XJG 1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone +c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N XJH 6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +C1CNC(=O)CN1 XJJ piperazin-2-one +Cc1[nH]nnn1 XJM 5-methyl-1h-tetrazole +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C XJO (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate +C1[C@@H](N[C@@H](S1)N)N XJP (2s,4r)-1,3-thiazolidine-2,4-diamine +CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O XJS 2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate) +C1CNC(=O)N1 XJV imidazolidin-2-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C XJX onalespib +B(C1CCC1)(O)O XJY cyclobutylboronic acid +C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC XK0 (4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C1[C@H](NCO1)CN XK1 1-[(4r)-1,3-oxazolidin-4-yl]methanamine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O XK2 [4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one +CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N XK3 4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid +C1CON[C@H]1N XK4 (3r)-1,2-oxazolidin-3-amine +C1CC1(C(=O)N)N XK7 1-aminocyclopropane-1-carboxamide +C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] XK9 n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O XKA [2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone +C[C@H](C(=O)NC)N XKD n-methyl-d-alaninamide +Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C XKG (2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XKJ dodecyl beta-d-glucopyranoside +CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O XKL 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide +CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN XKP (11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate +C1C(CN1)O XKS azetidin-3-ol +CC[C@@H](C(=O)N)N XKV (2r)-2-aminobutanamide +C1[C@H](NCN1)C#N XKY (4s)-imidazolidine-4-carbonitrile +CCS XL1 ethanethiol +C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C XL2 2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide +CCCS XL3 propane-1-thiol +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F XL5 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C XL6 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F XL7 n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl XL8 n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide +CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl XL9 n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O XLB 3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid +CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl XLC 3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide +CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4 XLD 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide +C1[C@H]([C@@H]([C@](O1)(CO)O)O)O XLF beta-d-xylulofuranose +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O XLI n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide +CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O XLN n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O XLO 3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid +c1cc2c(cc1C(=O)O)scn2 XLP 1,3-benzothiazole-6-carboxylic acid +C([C@H]([C@@H]([C@H](C=O)O)O)O)O XLS d-xylose +Cc1c(noc1N)C XLV 3,4-dimethyl-1,2-oxazol-5-amine +C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O XLX 4,4'-(ethylenediimino)bis[4-oxobutyrate] +C[C@H]1CNc2ccccc2C(=O)N1 XLY (3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one +c1ccc2c(c1)CC(C2)N XM0 indan-2-amine +c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl XM1 (2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine +C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C XM2 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide +Cc1cc(ccc1NC(=O)C)Cl XM4 n-(4-chloro-2-methylphenyl)acetamide +CN1c2c(ccc3c2OCO3)C(=CC1=O)OC XM5 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O XM7 5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine +COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl XMA (-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5 XMB 4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6 XMC 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine +CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMD (2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO XME 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO XMF 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5 XMG 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid +CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMH 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5 XMI 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl XMJ 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl XMK 1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine +c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br XMM 5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O XMP xanthosine-5'-monophosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl XMQ 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl XMS (3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O XN1 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O XN2 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6 XN3 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +C(CO)NCC(=O)NCCO XN7 n,n~2~-bis(2-hydroxyethyl)glycinamide +Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNA n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNB n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O XNC (11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O XND (11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CCCCCCCCCC(=O)NCCCC(=O)O XNG 4-(decanoylamino)butanoic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C XNH (3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one +CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C XNI (11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5 XNJ n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide +c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O XNL (1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl XNM (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6 XNN n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N XNP tricyclic nadph +COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XNS methyl ester octyl alpha-1o-d-mannopyrannoside +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C XNV ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XNW (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N XNY [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O XNZ (11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3 XO3 5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one +c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4 XOC n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide +c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O XOD (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C/C(=C\C=O)/CC/C=C(\C)/C=O XOG (2e,6e)-2,6-dimethylocta-2,6-dienedial +CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC XOJ 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea +CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S XOK (2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid +Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 XOM (2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O XOP 8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O XOS 3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O XOU (2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4 XOV (2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O XOY (r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4 XP0 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CN(C)c1ccc(cc1)C(=O)O XP1 4-(dimethylamino)benzoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC XP4 1,2-dimyristoyl-sn-glycero-3-phosphate +CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC XP5 (4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3 XP7 (5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O XP8 o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O XP9 o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine +CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC XPA 1,2-didecanoyl-sn-glycero-3-phosphate +c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O XPB o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate +C1[C@@H]([C@H](CN1)N)C(=O)O XPC (3s,4r)-4-aminopyrrolidine-3-carboxylic acid +c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2 XPD 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O XPE 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol +CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N XPF n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide +CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O XPG 7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid +c1ccc(cc1)C[C@@H](N)P(=O)(O)O XPH [(1s)-1-amino-2-phenylethyl]phosphonic acid +CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O XPJ 1-deoxy-1-(methylamino)-d-allitol +C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N XPL n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine +CCCCCCCCCCCCCCC(C(=O)O)C(=O)O XPM tetradecylpropanedioic acid +C(=O)OP(=O)(O)O XPO formyl phosphate +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C XPP hydroxypyrrole-imidazole-pyrrole polyamide +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O XPR (2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid +CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O XPS 6-deoxy-6-(methylamino)-d-galactitol +CCCS(CCC)(CCC)Cl XPT 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane +c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O XPV (6-phenyl-1-benzofuran-3-yl)acetic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC XPX (2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate +Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N XPY 5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c2ccc(cc2[nH]n1)O XQ0 3-methyl-1h-indazol-6-ol +COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O XQ1 [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O XQ4 (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name) +c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O XQ7 (1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol +CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 XQ9 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C XQA udp-di-n-acetyl-alpha-bacillosamine +[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O XQB 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid +CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O XQC 4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O XQD [(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CSc1c2c([nH]cn2)ncn1 XQG 6-methylsulfanyl-9h-purine +COC(=O)Cc1cc(cc(c1)O)O XQI methyl 2-(3,5-dihydroxyphenyl)ethanoate +Cc1cccc(c1)I XQJ 1-iodo-3-methylbenzene +Cc1c(c([nH]n1)c2ccno2)C(=O)OC XQK methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate +Cc1ccc(cc1)I XQM 1-iodo-4-methylbenzene +CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XQO 2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O XQP (2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4 XQV n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide +CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6 XR1 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C XR2 1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C XR4 n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC XR7 n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5 XR8 5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4 XRA 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine +CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl XRD clobetasol propionate +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O XRF 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(\NC)/NC(=O)NC XRG 1-methyl-3-(n-methylcarbamimidoyl)urea +CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XRJ 2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4 XRM 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N XRO 5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3 XRP 3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole +C[C@H](CCOc1nccn1C)N(C)C XRS (2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine +c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F XRV 7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C[C@H](CCOC(=O)N(C)C)N(C)C XRX 3-(dimethylamino)butyl dimethylcarbamate +c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N XS1 7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O XS2 methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside +CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC XS4 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea +C(CCC(=O)NO)CCNCCCN XS6 6-[(3-aminopropyl)amino]-n-hydroxyhexanamide +B(CC[C@H](C(=O)O)NCCN)(O)O XSA (2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid +c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N XSD 7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N XSG 7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O XSM (2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid +C([C@@H](C(=O)N)N)C(=O)O XSN l-alpha-asparagine +C(=O)[C@H](C(=O)O)OP(=O)(O)O XSP (2r)-3-oxo-2-(phosphonooxy)propanoic acid +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F XSS 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F XSV 1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7 XSY (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4 XT0 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT1 (2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid +C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT2 (2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4 XT3 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C XT4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XT5 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5 XT7 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C XT8 (2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O XTA (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-] XTC (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl XTD {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone +CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O XTF [(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O XTG 4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O XTH 1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTJ (3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate +Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O XTK 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O XTL [(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1=NC2=C(C(=O)N=C(N2)N)NC1=O XTN 2-amino-1,5-dihydropteridine-4,6-dione +c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTP benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O XTR [(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O XTS 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XTV 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl XTW 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol +Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XTY (1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4 XTZ 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)-c3cccnc3NC2=O XU1 benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4 XU2 n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl XU3 (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO XU4 n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl XU5 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +B(CCC(C(=O)O)N)(O)O XU7 (2s)-2-amino-4-boronobutanoic acid +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O XUA 2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate) +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O XUG 2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) +B(CC[C@H](C(=O)O)N)(O)O XUJ (2r)-2-amino-4-boronobutanoic acid +C([C@H]([C@@H](C(=O)CO)O)O)O XUL d-xylulose +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUP diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N XUS diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XUV diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate +c1ccc(c(c1)Cc2ccc3cccnc3c2O)F XV1 7-(2-fluorobenzyl)quinolin-8-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC XV4 n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O XV6 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide] +c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O XV7 9h-fluorene-2,7-disulfonate +c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F XVD 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol +c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2 XVE phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate +CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O XVG 1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVJ diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XVM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVP diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O XVR (5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XVS diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVV diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOC(=O)CCCC[C@@H](C(=O)O)N XW1 (2s)-2-amino-7-ethoxy-7-oxoheptanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XW4 diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl XWG (3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione +Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N XWJ n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide +Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N XWP n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide +c1ccc(cc1)N2CC[C@H](N[C@H]2O)O XWS (2r,4r)-1-phenylhexahydropyrimidine-2,4-diol +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C XWV 5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline +C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C XWW n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C XWY (3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl XX0 2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide +c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N XX1 n~6~-7h-purin-6-yl-l-lysine +C1=CC(=O)[C](C=C1[N+](=O)[O-])O XX2 1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized +C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO XX3 (1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene +CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4 XX4 3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide +CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O XX5 (s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid +c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O XX6 2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O XX7 2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +Cc1ncc(c(n1)N)Cc2cccc(c2)CO XX8 {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol +CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl XX9 n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide +C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O XXA 2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid +CCCCn1c(ccn1)C(=O)O XXB 1-butyl-1h-pyrazole-5-carboxylic acid +c1ccc(cc1)CCCCCCC(=O)O XXC 7-phenylheptanoic acid +C(C[C@@H](CO)O)CO XXD (2s)-pentane-1,2,5-triol +c1ccn(c1)c2ccnc(c2)C(=O)O XXE 4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid +C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O XXG 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid +c1cc(ccc1C=O)[N+](=O)[O-] XXH 4-nitrobenzaldehyde +c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O XXJ 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide +c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1 XXK 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol +CCOC(=O)CN1c2ccccc2OCC1=O XXL ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate +C1[C@@]([C@H]([C@H](O1)O)O)(CO)O XXM 3-c-(hydroxylmethyl)-alpha-d-erythrofuranose +c1cc(oc1)c2cc(ccn2)C(=O)O XXO 2-(furan-2-yl)pyridine-4-carboxylic acid +C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-] XXP 2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O XXR alpha-d-rhamnopyranose +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C XXS 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2 XXT [(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N XXV 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N XXX (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O XXY 2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate +c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N XXZ 1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine +c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN XY1 4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid +CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-] XY2 n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine +Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO XY3 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide +CC(C)NC(=O)Nc1ccccc1 XY4 n-phenyl-n'-propan-2-ylurea +c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O XY5 2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F XY7 1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N XYA 2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O XYB 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +C1CCC(C1)C[C@@H](C(=O)O)N XYC (2~{s})-2-azanyl-3-cyclopentyl-propanoic acid +Cc1ccc(c(c1)N)C XYD 2,5-dimethylaniline +[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O XYF 5(r)-fluoro-beta-d-xylopyranose +[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O XYG [(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O XYH xylarohydroxamate +CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C XYJ 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide +C([C@@H](C([C@@H](CO)O)O)O)O XYL xylitol +C(C(=O)O)S/C=C(/C(=O)O)\O XYM (2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid +C(C(=O)C(=O)O)SCC(=O)O XYN 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O XYP beta-d-xylopyranose +CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O XYQ (2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O XYS alpha-d-xylopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O XYT cellobiose-6-phosphate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F XYW 2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl XYY (3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid +C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O XYZ beta-d-xylofuranose +COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F XZ1 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol +CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O XZ2 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide +COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O XZ4 methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F XZ7 runcaciguat +CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C XZ8 4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one +C(=O)(NN)O XZA diazanecarboxylic acid +CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F XZB n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C XZD phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester +c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7 XZM n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl XZN 4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +C1C[C@H]([C@@H](C1)N)C(=O)O XZP (1r,2r)-2-aminocyclopentane-1-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F XZS n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl XZV 4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl XZY 4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +CC1=CC(=O)Oc2c1cc(c(c2)O)Cl XZZ 6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one +c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O Y 2'-deoxy-n6-(s)styrene oxide adenosine monophosphate +C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O Y00 dobutamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C Y01 cholesterol hemisuccinate +Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C Y02 (2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide +c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O Y03 (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl Y04 (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O Y06 (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O Y07 [2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O Y08 (e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O Y09 (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y0A n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y0D n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0G n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4 Y0J n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N Y0R 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I Y0V 2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid +COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O Y0X 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) +COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0Y 4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide +[Y+2] Y1 yttrium ion +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O Y10 (e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y11 n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2 Y12 4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate +c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O Y13 (2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide +c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4 Y14 n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y15 n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O Y16 (e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O Y17 5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O Y18 5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O Y19 1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol +CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1A 4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F Y1D n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O Y1G (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y1J n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3 Y1M n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide +CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3 Y1N 2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid +COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1P 4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y1S 4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C[C@H](C[C@@H](C(=O)O)N)CN Y1V (4r)-5-amino-l-leucine +COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O Y1W (1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol +Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O Y1Y 3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid +Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 Y1Z 2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide +C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O Y21 (3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F Y22 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O Y24 1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) +C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N Y27 (r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide +c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O Y28 o-benzyl-n-(carboxycarbonyl)-d-tyrosine +C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O Y2A (2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F Y2B 6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4 Y2D 1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F Y2F 6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC Y2G n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl Y2J 4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y2M n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O Y2P 2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y2V 4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O Y2Y (3s,4r)-3-amino-4-hydroxyheptanedioic acid +CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O Y3 4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O Y30 3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +c1c(cncc1Br)C(=O)O Y31 5-bromopyridine-3-carboxylic acid +c1c2c(c(s1)C(=O)O)OCCO2 Y34 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid +[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O Y35 (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-) +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C Y36 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O Y37 (1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 Y38 n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine +CCCCCCCCC[C@H]1C[C@@H]1C(=O)O Y39 (1s,2s)-2-nonylcyclopropanecarboxylic acid +c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2 Y3A n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O Y3D (1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid +C#CC1=CNC(=O)NC1=O Y3G 5-ethynylpyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N Y3J 5,5-difluoromethyl adenosine +CC(=O)Nc1nc2ccc(cc2s1)Cl Y3L n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5 Y3M ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +C(=C(/C(=O)O)\O)\C(=O)O Y3P (~{z})-2-oxidanylbut-2-enedioic acid +C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F Y3S (2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O Y3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C Y3V (2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide +C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2 Y3Y (2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3 Y41 3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 Y44 n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N Y46 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 Y47 4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide +c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O Y49 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y4D (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y4J (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN(C)S(=O)(=O)Nc1ccc(cc1)Cl Y4L ((4-chlorophenyl)sulfamoyl))dimethylamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y4P (1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y4V (1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C Y50 e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y51 (1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC Y52 methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5 Y54 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O Y55 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione +CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1 Y57 n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C Y5D {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C Y5G {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl Y5H 3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl Y5J 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4 Y5L 4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 Y5M 7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one +C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O Y5P 1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y5S (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O Y5V 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C Y5Y cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4 Y61 n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y64 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O Y67 2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide +CCOCCOCCOCCCCCCCCCCC=O Y69 11-[2-(2-ethoxyethoxy)ethoxy]undecanal +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5 Y6A 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5 Y6D 2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5 Y6G 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5 Y6J ~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide +c1cc2c(cc1O)NC(CC2)O Y6M (2r)-1,2,3,4-tetrahydroquinoline-2,7-diol +Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O Y6P 7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +c1cc(cc2c1cc([nH]2)C(=O)O)I Y6S 6-iodanyl-1~{h}-indole-2-carboxylic acid +c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4 Y6V ~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O Y6W [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5 Y6Y 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O Y70 s-pomalidomide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y71 (1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C/C(=C/COP(=O)(O)O)/CCN=[N]=N Y77 [(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate +CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C Y7D (2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y7G (1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y7M (1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN Y7N 5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O Y7S (1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid +c1cc(cc(c1)I)F Y7V 1-fluoranyl-3-iodanyl-benzene +COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC Y7Y methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate +COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4 Y80 4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4 Y81 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 Y83 tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1ccc2c(c1)cccc2F Y84 1-fluoranylnaphthalene +c1cc(ccc1F)Br Y87 1-bromanyl-4-fluoranyl-benzene +CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl Y8A 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline +c1cc(ccc1F)I Y8D 1-fluoranyl-4-iodanyl-benzene +CCCCc1cccs1 Y8G 2-butylthiophene +c1cc(c(cc1Br)Br)O Y8I 2,4-bis(bromanyl)phenol +CCCCc1cccnc1 Y8J 3-butylpyridine +CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4 Y8L 3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one +c1ccc(cc1)CCCc2ccc(cc2)N Y8M 4-(3-phenylpropyl)aniline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O Y8P (3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8S (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8V (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y8Y (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y91 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C Y94 2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N Y95 5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O Y96 5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5 Y97 5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide +Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3 Y9A ~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F Y9B 4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O Y9Y paranitrophenyl-alpha-l-galactopyranoside +CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O Y9Z 5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA1 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA2 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C YA3 2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O YA4 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C YA7 n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide +c1ccc(cc1)C(=O)/C=C\CCC(=O)O YAC (4z)-6-oxo-6-phenylhex-4-enoic acid +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4 YAD (phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate +COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O YAG 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol +CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3 YAJ ~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O YAK n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C YAM n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide +c1ccc(c(c1)Cl)Cl YAN 1,2-dichlorobenzene +c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YAP 5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O YAS ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl YAU n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O YAV 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid +c1cc(c(cc1/C=C/C(=O)O)Cl)O YAZ (2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid +[Yb+3] YB ytterbium (iii) ion +[Yb+2] YB2 ytterbium (ii) ion +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC YB4 ~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F YB7 ~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F YBA ~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl YBD ~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC YBG 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol +c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O YBH 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid +COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4 YBN 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate +c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O YBS [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone +C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO YBT bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium +c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O YBY n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO YC1 [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I YC2 n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O YC8 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O YCD (4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO YCF (2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide +Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 YCG [5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone +Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4 YCJ (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone +[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YCL 2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +C([C@@H](C(=O)O)N)SCC(=O)N YCM s-(2-amino-2-oxoethyl)-l-cysteine +C1CNCCNCCNCCN1 YCN 1,4,7,10-tetraazacyclododecane +c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2 YCO 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one +C1CCN[C@@H](C1)C(=O)O YCP (2s)-piperidine-2-carboxylic acid +C[C@H](C(=O)N)Oc1ccc(cc1)Br YCS (2~{r})-2-(4-bromanylphenoxy)propanamide +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC YCU 1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea +CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O YCV 2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide +COc1ccc(cc1)S(=O)(=O)Nc2ccccc2 YCY 4-methoxy-~{n}-phenyl-benzenesulfonamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl YD1 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD3 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD4 4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione +CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C YD7 ~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide +Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C YD8 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone +CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6 YDA 1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide +CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O YDD [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate +CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N YDI 5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide +c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N YDJ 5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3 YDK 2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C YDP (3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O YDR 6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose +C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O YDY (2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC YDZ [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O YE1 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O YE2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl YE4 n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C YE5 1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone +c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl YE6 5-(2-chlorophenyl)furan-2-carbohydrazide +c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN YE7 imidazo[2,1-a]isoquinoline-2-carbohydrazide +CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O YED (3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +C1CCC(C1)O YEG cyclopentanol +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4 YEJ 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C YEM n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N YEN n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide +C(CO)C(CCO)C(CO)(CO)CO YES 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol +Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C YEV (2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4 YEX 5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +c1cc([nH]c1)c2ccc3c(c2)OCCO3 YEY 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole +Cc1cnc(nc1N)C YF1 2,5-dimethylpyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C YF2 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide +Cc1ncc(c(n1)N)CNC(C)CS YF3 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol +CCN(C)Cc1cnc(nc1N)C YF4 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C YF6 n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O YF7 [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6 YFA (2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C YFB amorfrutin b +CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC YFD amorfrutin 2 +CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C YFE amorfrutin 1 +[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YFF 2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4 YFG 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC YFP 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N YFS n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N YFV 5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 YFY (2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC YG wybutosine +CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO YG1 n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O YG4 [(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N YG7 5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide +c1ccc(cc1)CCSc2cnn[nH]2 YGG 5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole +c1ccc(cc1)CCOc2ccc(cc2)O YGJ 4-(2-phenylethoxy)phenol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N YGL 2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C=CCCc1ccccc1 YGM (but-3-en-1-yl)benzene +CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O YGP 5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine +CC(=C)Cc1ccccc1 YGS (2-methylprop-2-en-1-yl)benzene +CSc1ccccc1Cl YGV 1-chloro-2-(methylsulfanyl)benzene +C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4 YGY cryptophycin 52 +[OH2][Y+2] YH yttrium ion, 1 water coordinated +c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH1 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N YH2 4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile +Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH3 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH4 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH5 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH6 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +C1=NC2=C(NC(=S)N=C2N1)N YH7 6-amino-1,9-dihydro-2h-purine-2-thione +B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O YHD n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C YHI benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate +c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO YHJ benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate +C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N YHO (1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol +CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F YHP n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide +Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F YHV 4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] YHX 4-nitroquinoline 1-oxide +Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F YHY n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide +COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl YI0 4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+] YI1 [4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O YI2 (1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C YI3 (1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C YI4 (1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol +COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl YI5 4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +CCOc1ccc(cc1)CC(=O)O YI6 2-(4-ethoxyphenyl)ethanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3 YIC (2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(ccc1Cc2[n-]nnn2)Cl YIE 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene +c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl YIH 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br YIN (6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O YIO 1-thio-beta-d-galactopyranose +c1cc(cc(c1)Cl)OCc2n[n-]nn2 YIP 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3 YIQ (e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide +[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] YIR (e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide +CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO YIS 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea +CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC YIT n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide +CCCCNC=O YIV n-butylformamide +CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C YIW 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C YIX 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F YIY (1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea +Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN YJ1 n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl YJ2 (2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC YJ4 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC YJ7 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl YJ8 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl YJ9 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO YJA 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl YJC (4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide +CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O YJD 4-(2-propan-2-yloxybenzimidazol-1-yl)phenol +Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl YJG 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide +Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5 YJJ n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O YJM 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N YJS 3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide +Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3 YJW 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol +c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4 YJX 1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC YK1 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F YK2 [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC YK4 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC YK7 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O YK8 20alpha-hydroxy-20-(5-methylhexyl)cholesterol +c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4 YK9 4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKA (1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4 YKB n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5 YKC n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKD (1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6 YKE n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide +Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O YKG [(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6 YKI 1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5 YKJ 2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKM (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F YKN 2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKP (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO YKR 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKS (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKV (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YKY (1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4 YL2 ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O YL3 ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O YL4 [(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL5 [(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL6 [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YL7 (1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLA (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride +CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLB 5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine +C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLC 5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLD (1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@@H]1c2ccccc2CCN1 YLG (1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLJ (1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O YLL (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLM (1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4 YLO 1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole +CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLP (s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O YLQ 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLS (1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YLV (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N YLY (2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YM1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3 YM2 1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2 YM3 ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br YM4 6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO YM5 (3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol +c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN YM6 1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine +c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3 YM7 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile +C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N YM8 (r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile +C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O YMA 7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMD (1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMG (1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMJ (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO YML [(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMM (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YMP o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMS (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMV (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F YMX entrectinib +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMY (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O YMZ mefloquine +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YN1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4 YN4 ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl) +C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C YN7 5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide +CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O YNA n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O YNC tetradec-13-ynoic acid - coa thioester +CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O YND n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 YNE 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N YNG 7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3 YNJ 7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid +CN[C@@H](Cc1ccc(cc1)O)C(=O)O YNM n-methyl-l-tyrosine +C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC YNP cryptophycin 1 +[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C YNS 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide +C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC YNU eplerenone +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C YNV 17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one +COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N YNY methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate +c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N YO1 4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide +C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C YO3 yo3-biotin +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O YO5 (1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N YO7 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name) +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O YOA 5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine +CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YOD (1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide +c1cc(c(cc1C[C@@H](C(=O)O)N)F)O YOF 3-fluorotyrosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO YOG 1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate +c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O YOJ 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O YOK [[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O YOL [[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2 YOM 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +C1=CNC(=O)C(=C1)C[C@@H](CO)N YOP 3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one +COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F YOS [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid +CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl YOV 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one +CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O YOY [[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O YP1 2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile +C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F YP4 n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine +c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F YP6 2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O YPA (s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC YPC s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine +c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O YPE 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate +c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O YPF 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N YPG [3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid +c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O YPH 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6 YPM (1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide +c1cc(ncc1Cl)SCCO YPN 2-[(5-chloro-2-pyridyl)sulfanyl]ethanol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O YPP hydrolyzed piperacillin +COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4 YPR (4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline +CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YPS (1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide +N[Pt+2](N)([I-])[I-] YPT cis-diamino(diiodo)platinum +C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N YPW 2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide +c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N YPZ 3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine +Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C YQ7 (4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one +C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O YQA 5-hydroxy,-4,5-dihydroquinolinate +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C YQD n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5 YQG n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC YQJ n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F YQM eravacycline +C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O YQP (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid +CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC YQV methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O YQY [3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7 YR0 7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O YR1 2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O YR3 (2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO YR4 (2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF YR7 2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N YRA 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl YRG (2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-] YRJ 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium +c1cc(ccc1CCO)O YRL 4-(2-hydroxyethyl)phenol +CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C YRM (5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione +CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O YRO 5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl YRP (2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide +C1CN[C@@H]([C@H]1O)COP(=O)(O)O YRR 3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group +c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4 YRZ n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine +c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 YS1 [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS2 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS3 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O YS4 [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS5 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cnccc1NC(=S)N YS6 1-pyridin-4-ylthiourea +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O YS7 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside +CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS9 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YSA 5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O YSC [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O YSD (1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSE (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O YSG 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione +CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O YSH 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid +c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl YSJ 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSL (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSM 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(c2c(c1)[nH]nc2N)C#N YSO 3-amino-1h-indazole-4-carbonitrile +Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSP 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O YSS 15r-methyl-prostaglandin d2 +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O YSU [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSV (1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol +c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3 YSY 4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile +COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4 YT1 pb28 +[Y+3] YT3 yttrium (iii) ion +COC(=O)[C@H](CS)NC(=O)OCc1ccccc1 YT4 methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate +C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2 YT5 moiramide b +c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F YT7 roluperidone +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N YTA yatakemycin-adenine nucleobase adduct +C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N YTB (1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol +COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4 YTC (3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C YTD 6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one +CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O YTG n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide +C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O YTH o-phosphono-l-allothreonine +COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N YTJ 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile +c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YTM 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4 YTN (3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +Cc1cc(ccc1O)C(=O)C YTP 1-(4-hydroxy-3-methylphenyl)ethanone +CC1=CC(=O)N(c2c1ccc(c2OC)OC)C YTR 7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O YTS 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O YTT (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione +CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O YTV 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O YTW (3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol +COc1cc(ccc1O)CC(=O)O YTX 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YTY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(ccc1N)S(=O)(=O)Nc2nccs2 YTZ 4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O YU4 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl YU7 1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br YUG 2,6-dibromo-3-(2,4-dibromophenoxy)phenol +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl YUI 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N YUK 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5 YUM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate +CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br YUN n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O YUP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate +COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3 YUS n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 YUV (25r)-14beta,17beta-spirost-5-en-3beta-ol +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 YUY (2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2 YV1 (3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate +C1CNC(=O)[C@H]1N YV4 (3s)-3-aminopyrrolidin-2-one +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O YVN n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide +c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5 YVQ 3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +C[C@H]1CCC(=O)O1 YVR gamma-valerolactone +c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F YVS [4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate +Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C YW1 9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide +C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O YW2 (1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N YW4 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N YW7 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide +Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2 YWA 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC YWJ 4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWM diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC YWN 2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-] YWO o-(5-methyl-2-nitrophenyl)-d-tyrosinamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWP diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YWS diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O YWY 2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol +C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F YWZ 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O YX0 [(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO YX1 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose +Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2 YX4 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O YXA 5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid +CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O YXD n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl YXG milvexian +c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4 YXM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide +COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O YXP {(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid +C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXR (2r)-sulfonatepropionyl-coa +C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXS (2s)-sulfonatepropionyl-coa +C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl YXX chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium +C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN YXZ chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium +Cc1[nH]c(nn1)S YY1 5-methyl-4h-1,2,4-triazole-3-thiol +CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC YY2 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide +Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C YY3 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY4 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY5 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY6 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY7 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY9 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O YYA 2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid +CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O YYB 1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC YYG 4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O YYH 7-deoxy-l-glycero-alpha-d-manno-heptopyranose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O YYJ 1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O YYK beta-d-quinovopyranose +C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O YYM alpha-d-ribopyranose +CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O YYQ 2-acetamido-2-deoxy-alpha-l-galactopyranose +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO YYR 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O YYY deoxycytidine diphosphate +c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O YYZ (2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid +CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O YZ0 methyl beta-d-mannopyranoside +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O YZ6 (e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CCOC(=O)C1=Cc2ccc(cc2OC1=O)O YZ9 7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester +C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O YZE n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine +c1ccc(cc1)C(=O)NC(=O)N YZM n-carbamoylbenzamide +C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YZS (2s)-sulfonatepropionyl-amino(dethia)-coa +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O YZT 6-deoxy-6-sulfo-beta-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC YZY (2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate +C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O Z 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl Z00 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide +CC(C)(C)C(=O)NC[C@@H](C(=O)O)N Z01 3-[(2,2-dimethylpropanoyl)amino]-l-alanine +c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] Z02 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N Z04 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide +[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O Z06 (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron +c1cc(c2c(c1)sc(n2)N)C(F)(F)F Z07 4-(trifluoromethyl)-1,3-benzothiazol-2-amine +CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N Z0A (3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one +c1cncc2c1cnc3c2ccs3 Z0B thieno[2,3-c][2,6]naphthyridine +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z0F alpha-l-idopyranose +c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS Z0M n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide +CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2 Z0O 1-(tert-butyl)-3-(quinoxalin-6-yl)urea +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC Z0P (2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate +c1ccc2c(c1)c3c([nH]2)cncn3 Z0W 5h-pyrimido[5,4-b]indole +[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O Z10 [(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl Z12 2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide +c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F Z13 (e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine +c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N Z14 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z15 (1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol +c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O Z16 (1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol +C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C Z17 (3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C Z18 (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate +c1ccc2c(c1)c(n[nH]2)C(=O)NN Z19 1h-indazole-3-carbohydrazide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C Z1B n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C Z1E n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide +c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl Z20 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one +CCn1c2cc(ncc2nc1c3c(non3)N)Br Z21 4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +CSS(=O)(=O)C Z22 s-methyl methanesulfonothioate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F Z23 di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O Z24 (3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N Z25 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl Z26 2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide +c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl Z27 2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide +C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O Z2D alpha-l-allopyranose +c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4 Z2M 3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine +COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z2T (1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol +C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3 Z2V n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide +CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z30 (5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N Z31 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N Z34 n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine +C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O Z3A 4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO Z3D (1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1 Z3E o-benzyl-l-threonine +CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O Z3J 5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O Z3K (1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol +CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C Z3L 2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose +C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O Z3P 3,3',3''-phosphoryltripropanoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O Z3Q 2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N Z3R 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O Z3U beta-d-digitoxopyranose +CCNCCS Z3V 2-(ethylamino)ethane-1-thiol +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC Z41 (2s)-3-hydroxypropane-1,2-diyl dihexadecanoate +CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z46 (5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Z47 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4 Z48 n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O Z4K 2-o-sulfo-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O Z4R methyl 3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O Z4S 1,6-anhydro-n-acetyl-beta-d-glucopyranosamine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O Z4U methyl 4-thio-alpha-d-xylopyranoside +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S Z4V 4-thio-beta-l-ribopyranose +C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O Z4W beta-d-lyxopyranose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S Z4Y 6-thio-alpha-d-mannopyranose +c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z57 (1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol +c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O Z59 (2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] Z5A p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate +c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O Z5D (2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl Z5G 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +C[C@H]1[C@@H]([C@H](CC(O1)O)O)O Z5J beta-l-olivopyranose +CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Z5K n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S Z5L methyl 2-thio-alpha-d-mannopyranoside +c1ccc(c(c1)CN)n2cccn2 Z5P 1-[2-(1h-pyrazol-1-yl)phenyl]methanamine +C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O Z5Y (2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid +C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N Z60 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O Z61 2-deoxy-alpha-d-arabino-hexopyranose +C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N Z62 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +C=CCNc1nc(c(s1)C(=O)c2ccncc2)N Z63 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone +Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3 Z64 n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine +c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F Z67 4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N Z68 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O Z69 (1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate +C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z6H alpha-l-altropyranose +C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O Z6J alpha-l-ribofuranose +Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O Z6P 2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide +Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C Z6V vimseltinib +CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O Z6W (5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose +CCCCCCCCCCCC(=O)CC(=O)O Z6X 3-oxotetradecanoic acid +c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N Z70 (2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid +c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N Z71 4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl Z72 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one +CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C Z73 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C Z74 n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C Z75 n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O Z76 n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC Z77 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea +Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F Z78 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea +COc1ccc(cc1)S(=O)(=O)NCC(=O)NO Z79 n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F Z7D 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene +c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F Z7F trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl Z7G {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl Z7H n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide +CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl Z7I n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O Z7P (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z7S n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)c2ccc(cc2)C(=O)O Z7Z biphenyl-4-carboxylic acid +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl Z80 3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F Z81 (5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one +c1cc(ccc1C(=O)O)Br Z82 4-bromobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3 Z83 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4 Z84 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z85 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z86 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3 Z87 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea +CC(=O)NS(=O)(=O)c1ccc(cc1)Br Z88 n-[(4-bromophenyl)sulfonyl]acetamide +c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2 Z89 (2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N Z8B 5'-azido-8-bromo-5'-deoxyadenosine +CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O Z8G n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide +C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O Z8H beta-l-gulopyranose +CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O Z8I (3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one +CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O Z8R 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O Z8T beta-l-glucopyranose +CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z8V n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4 Z8Z n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide +c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O Z90 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl Z92 (4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one +COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5 Z93 2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium +CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2 Z94 n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide +CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl Z96 tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O Z97 (e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O Z98 (2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid +c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N Z99 2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO Z9D 4-deoxy-beta-d-xylo-hexopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O Z9E 1-thio-alpha-d-glucopyranose +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O Z9H 3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O Z9K 3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O Z9L methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O Z9M 2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O Z9N alpha-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O Z9W 2-acetamido-2-deoxy-beta-d-quinovopyranose +CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4 Z9Z pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[B-](CNC(=O)c1ccccc1Cl)(O)(O)O ZA2 [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O ZA3 trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron +[B-](CNC(=O)c1ccccc1F)(O)(O)O ZA4 [(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O ZA5 [(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O ZAA (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid +c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O ZAB (3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N ZAD (s)-1'-(2',3'-dihydroxypropyl)-adenine +CN[C@H](Cc1ccccc1)C(=O)O ZAE n-methyl-d-phenylalanine +C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 ZAF o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2 ZAH n-[(benzyloxy)carbonyl]-l-alanyl-l-proline +C1CCC(CC1)C[C@H](C(=O)O)N ZAL 3-cyclohexyl-d-alanine +CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C ZAM 3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N ZAN 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N ZAP [n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate +COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2 ZAR 6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N ZAS 5'-azido-5'-deoxyadenosine +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C ZAT 4,4'-diacetyldiphenylurea-bis(guanylhydrazone) +c1cc(cnc1)C(=O)c2cccnc2 ZAW di(pyridin-3-yl)methanone +C1CCC(CC1)CCCCCO ZAZ 5-cyclohexylpentan-1-ol +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O ZB0 2,3-di-o-methyl-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O ZB1 3-o-methyl-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O ZB2 2-o-methyl-alpha-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O ZB3 2,6-di-o-methyl-alpha-d-glucopyranose +COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4 ZB4 n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide +C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O ZB6 (2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid +CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C ZBA 12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate +C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br ZBC (2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate +C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O ZBD 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide +C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O ZBF l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine +c1c(cc(cc1CBr)CBr)CBr ZBR 1,3,5-tris(bromomethyl)benzene +c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5 ZBS 2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide +CC[C@H](C)C1=NCCS1 ZBT 2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br ZBU (s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil +c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N ZBZ s-(phenylcarbonyl)-l-cysteine +c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F ZC0 contezolid +CC(=O)Nc1nc2cc(ccc2s1)F ZC3 n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide +C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O ZCD alpha-d-idopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl ZCL 3,4-dichloro-l-phenylalanine +[Cm+3] ZCM curium ion +c1cc(cc(c1)O)[N+](=O)[O-] ZCQ 3-nitrophenol +C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O ZCT 2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid +c1ccc2c(c1)c(c[nH]2)CCO ZCW 2-(1h-indol-3-yl)ethanol +C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O ZCY (s)-1'-(2',3'-dihydroxypropyl)-cytosine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O ZCZ 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O ZD0 methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO ZD1 (1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside +c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N ZD2 (2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N ZD4 2-chloroadenosine 5'-(trihydrogen diphosphate) +CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br ZD6 vandetanib +CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 ZD7 5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one +CC#CNCc1cc2c(cc1C)N=C(NC2=O)C ZD9 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O ZDA 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O ZDC 3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-] ZDG 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate +Cc1cc(ccc1O)C[C@@H](C(=O)O)N ZDJ 3-methyl-l-tyrosine +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O ZDM nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O ZDO methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDP (2s,6s)-2,6-diamino-2-methylheptanedioic acid +C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDR (2r,6s)-2,6-diamino-2-methylheptanedioic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O ZDU 5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate +c1cc(cc(c1)F)CN ZDV 1-(3-fluorophenyl)methanamine +C1CCC(CC1)CCCCCCO ZE7 6-cyclohexylhexan-1-ol +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O ZE8 zebularine +C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO ZEA (2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O ZEB 4-hydroxy-3,4-dihydro-zebularine +c1cc2c(cc1O)sc(n2)S(=O)(=O)N ZEC 6-hydroxy-1,3-benzothiazole-2-sulfonamide +C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2 ZED l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O ZEE beta-l-talopyranose +c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F ZEG 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine +CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O ZEL methyl beta-d-altropyranoside +Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O ZEM 20-oxo-protoporphyrin ix containing zn(ii) +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 ZEN [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone +CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F ZEP n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide +C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O ZER (3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O ZES [3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid +C(CCCCO)CCCC(=O)O ZEU 9-hydroxynonanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N ZEV (2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C ZEX (1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol +C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO ZEZ (2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +Cc1cccc(c1)CN ZF0 1-(3-methylphenyl)methanamine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O ZF1 7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O ZF7 (1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid +c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2 ZFB (3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C ZFG 4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline +CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C ZFJ (4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3 ZFP 1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O ZFR (1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F ZFS n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide +CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F ZFY 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide +CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5 ZG1 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6 ZG2 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5 ZG4 n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide +c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N ZG7 (8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O ZGA zaragozic acid a +Cc1cc(ccc1OC)CCC(=O)O ZGB 3-(4-methoxy-3-methylphenyl)propanoic acid +COc1ccc(cc1)CCC(=O)O ZGC 3-(4-methoxyphenyl)propanoic acid +CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl ZGD n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C ZGE 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid +C(CC(=O)O)[C@H](C(=O)N)N ZGL d-alpha-glutamine +C(CC(=O)O)C(CC(=O)C(=O)O)O ZGM (4s)-4-hydroxy-2-oxoheptanedioic acid +Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S ZGP 5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O ZGR 2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid +CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O ZGS [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate +c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N ZGU (s)-1'-(2',3'-dihydroxypropyl)-guanine +CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O ZGV 4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid +COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O ZH1 methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O ZH2 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide +O[Zn-](O)O ZH3 zinc trihydroxide +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O ZH4 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C ZH7 (3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one +CC(=O)Nc1ccc2c(c1)CCCC2=O ZHA ~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide +C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O ZHB (3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C ZHD (3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one +C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O ZHG 2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol +COc1ccc(cc1)CCN ZHH 2-(4-methoxyphenyl)ethanamine +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O ZHJ 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl ZHK (2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br ZHM 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine +CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC ZHN pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate +CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O ZHP (s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone +Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C ZHS 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O ZHU alchivemycin a +Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br ZHV 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +COc1ccc(cc1)CC(=O)N ZHZ 2-(4-methoxyphenyl)acetamide +C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F ZI1 3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide +c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F ZI6 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide +c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F ZI7 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide +c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O ZID isonicotinic-acetyl-nicotinamide-adenine dinucleotide +COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F ZIG 2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1 ZIL n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine +c1ccnc(c1)Cc2ccc3cccnc3c2O ZIN 7-(pyridin-2-ylmethyl)quinolin-8-ol +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C ZIO (3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +CC(=CCNc1c2c([nH]cn2)ncn1)C ZIP n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine +C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N ZIQ alpha-methyl-l-tryptophan +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C ZIR n-(3-methylbut-2-en-1-yl)adenosine +CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O ZIT azithromycin +CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC ZJ0 1-(3,5-dimethoxyphenyl)decan-1-one +CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3 ZJ1 (2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide +Cc1cccc(c1c2ccc(s2)C(=O)O)C ZJ4 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid +Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C ZJ7 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid +Cc1ccccc1c2ccc(s2)C(=O)O ZJA 5-(2-methylphenyl)thiophene-2-carboxylic acid +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N ZJB (2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1ccccc1c2ccc(s2)C(=O)O ZJD 5-(2-ethylphenyl)thiophene-2-carboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C ZJG cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJJ 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C ZJM (1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C ZJS n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZJV (2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJY [1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F ZK1 {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK4 (1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F ZK5 9alpha-fluorocortisol +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK7 1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F ZK9 [3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ZKA (1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O ZKD uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine +O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2 ZKG zirconium(iv) phosphotungstate keggin +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZKJ (2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O ZKM n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide +C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3 ZKP fe3-s4 methylated cluster +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O ZKS (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O ZKW 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F ZL1 n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O ZL4 (1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) +Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C ZL5 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole +CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F ZL7 (2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) +c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLA 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 ZLD n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide +c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLG antabactin +C(CCl)S(=O)(=O)O ZLJ 2-chloroethane-1-sulfonic acid +Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C ZLK zafirlukast +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O ZLM (1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 ZLP (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O ZLS (1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O ZLV (3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one +c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O ZLY (4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O ZM1 2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC ZM3 mycinamicin iii +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol +B1(c2ccccc2[C@H](O1)O)O ZMD (3s)-2,1-benzoxaborole-1,3(3h)-diol +Cc1ccn(c1)c2c3c([nH]cn3)ncn2 ZME 6-(3-methyl-1h-pyrrol-1-yl)-9h-purine +CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F ZMG (5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O ZMK methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMP s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate +CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMQ s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O ZMR zanamivir +CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F ZMY (9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +[Zn+2] ZN zinc ion +CC[Sn](CC)(CC)Cl ZN0 triethyltin chloride +[Zn+2] ZN2 zinc ion on 3-fold crystal axis +[OH2][Zn+2] ZN3 zinc ion, 1 water coordinated +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl ZN4 1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide +C[Sn](C)(Br)Br ZN5 dimethyltin dibromide +CC[Sn](CC)(Cl)Cl ZN6 diethyltin dichloride +CC[Pb](CC)(Br)Br ZN7 diethyllead dibromide +C[Sn](C)(C)Cl ZN8 trimethyltin chloride +C[Pb](C)(C)Br ZN9 trimethyllead bromide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N ZNA [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N ZNB 2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide +c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4 ZNC 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O ZND zinc (ii) deuteroporphyrin ix +C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C ZNE (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol +c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F ZNG (9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C ZNH protoporphyrin ix containing zn +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F ZNM 3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol +C(CCNC(=O)CN=[N+]=[N-])CN ZNN n-(4-aminobutyl)-2-azidoacetamide +[OH2][Zn+2][OH2] ZNO zinc ion, 2 waters coordinated +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N ZNP (2r)-2-benzyl-3-nitropropanamide +C=CCOc1ccccc1F ZNV 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene +CCO[C@@H]1C[C@H](NC1)C(=O)O ZNY (4r)-4-ethoxy-l-proline +CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F ZO0 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline +c1cc(cc(c1)C(F)(F)F)C=O ZO1 3-(trifluoromethyl)benzaldehyde +[OH2][Zn+2]([OH2])[OH2] ZO3 zinc ion, 3 waters coordinated +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO4 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine +c1cncc2c1cnc3c2scc3 ZO6 thieno[3,2-c][2,6]naphthyridine +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine +c1cncc2c1c3ccsc3nc2 ZO8 thieno[2,3-c][2,7]naphthyridine +c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N ZO9 4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine +CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N ZOA ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O ZOD [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 ZOE 6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O ZOF 6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F ZOG 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid +c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O ZOL zoledronic acid +Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O ZOM [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid +c1ccc2c(c1)c(no2)CS(=O)(=O)N ZON 1-(1,2-benzoxazol-3-yl)methanesulfonamide +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F ZOO (5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5 ZOP (3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide +CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine +Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N ZOV 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine +c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N ZOY n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide +CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ZOZ 3-keto-decanoyl-coa +CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O ZP1 (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] ZP4 [[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 ZP6 (2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O ZP7 (2s)-2,3-dihydroxypropyl hexadecanoate +[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O ZPA 4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine +CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl ZPC (5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO ZPD (4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate +CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN ZPE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O ZPF n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide +C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O ZPG (2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol +CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC ZPH methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate +C1CC1C(=O)O ZPJ cyclopropanecarboxylic acid +C1CC(C1)C(=O)O ZPM cyclobutanecarboxylic acid +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O ZPN (2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide +C1CNN(C1)C(=O)O ZPO pyrazolidine-1-carboxylic acid +Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C ZPQ n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O ZPR n-benzyloxycarbonyl-l-prolyl-l-prolinal +C1CC(C1)(C(=O)O)C(=O)O ZPS cyclobutane-1,1-dicarboxylic acid +[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-] ZPT trichloro(ethene)platinate(ii) +c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O ZPV n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O ZPX n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O ZPY ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O ZPZ n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl ZQ1 n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine +CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O ZQ4 2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O ZQ7 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCc1csc(n1)c2cnc[nH]2 ZQA 4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole +CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3 ZQC 4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide +Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C ZQD 3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole +c1cnc([nH]1)CCCN ZQG 3-(1h-imidazol-2-yl)propan-1-amine +CN1C(=O)C=C2CNCCC2=N1 ZQJ 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one +CC(C)Sc1ccccc1NC(=O)N ZQM n-{2-[(propan-2-yl)sulfanyl]phenyl}urea +c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4 ZQS (4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O ZQU zosuquidar +CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4 ZQY 2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine +[Zr+4] ZR zirconium ion +Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F ZR1 (1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol +c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl ZR4 7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F ZR7 n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1 ZRA benzoyl-arginine-alanine-fluoro-methyl ketone +[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-] ZRC oxo zirconium(iv) cluster +c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F ZRD (4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC ZRG (2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide +c1cnccc1c2cc3c(o2)C=CNC3=O ZRK 2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one +c1cnccc1c2cc3c(s2)C(=CNC3=O)Br ZRL 7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O ZRM 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ZRO 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3 ZRP 4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide +c1cc(ccc1C(=O)O)n2cncn2 ZRS 4-(1h-1,2,4-triazol-1-yl)benzoic acid +CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5 ZRV 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide +O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O] ZRW w-zr-cluster +[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1 ZRY (1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine +c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F ZS0 3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +[H]/N=C\1/c2ccccc2C(=N1)N ZS1 (1z)-1-imino-1h-isoindol-3-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6 ZS2 (4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F ZS4 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole +c1ccc2c(c1)C(=NC2=O)N ZS7 3-amino-1h-isoindol-1-one +CC#CCCCCC[C@@](C)(C(=O)O)N ZS8 (2s)-2-amino-2-methyldec-8-ynoic acid +c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N ZSA (2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide +CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C ZSC 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N ZSD 6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine +CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N ZSG (8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide +CSc1ccc(cc1)CNCCO ZSJ 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol +c1cc(ccc1CSC(=N)N)CSC(=N)N ZSM (1,4-phenylene)bis(methylene) dicarbamimidothioate +C(C(=O)N)N(C(=O)O)N ZSN 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F ZSO 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole +C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O ZSP 2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one +[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl ZSS (1r)-1-(4-chlorophenyl)ethyl carbamimidothioate +c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O ZST 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid +COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O ZSV (r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium +CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O ZSW (r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium +c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4 ZSY n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide +C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4 ZT0 (4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium +CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C ZT1 n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine +c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4 ZT2 5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O ZT4 5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O ZTD methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate +CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O ZTH (s)-1'-(2',3'-dihydroxypropyl)-thymine +c1cc(c(c(c1)F)F)O ZTN 2,3-bis(fluoranyl)phenol +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C ZTP (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +c1cc(ccc1c2cc3ccc(cc3s2)O)O ZTW raloxifene core +CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C ZTX 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one +C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C ZU0 o-tert-butyl-l-threonine +CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2 ZU3 n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide +CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl ZU4 1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C ZU5 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide +c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl ZUF ~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl ZUI 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1cnc(nc1)CCC[C@H](C(=O)O)N ZUK 5-pyrimidin-2-yl-d-norvaline +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O ZUN (4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4 ZUQ n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide +CN1c2c3c(c[nH]c3ncn2)C(=N1)N ZVO 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6 ZVP 7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVS n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl ZVT 2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVU n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F ZVV n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F ZVW n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F ZVX 2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O ZVY 2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid +CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N ZVZ 2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide +c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O ZW2 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3 ZW3 n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide +CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate +CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4 ZWP 3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O ZWZ (2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol +C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX0 (3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX1 (3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O ZX5 3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O ZX6 2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O ZX7 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O ZX8 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O ZX9 (2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O ZXA n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O ZXB (2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol +c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2 ZXC n-(9h-purin-6-yl)thiophene-2-carboxamide +CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O ZXD (2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br ZXG 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate +c1cc(ccc1CN)I ZXI 1-(4-iodophenyl)methanamine +B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O ZXM 1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O ZXU n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N ZXW 5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C ZXX methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate +c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O ZXY n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide +CC1=CC(=O)N(c2c1cccc2)C ZXZ 1,4-dimethylquinolin-2(1h)-one +CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O ZY0 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide +CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZY1 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C ZY2 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide +CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O ZY3 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide +CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O ZY4 n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide +COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O ZY5 4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol +c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3 ZY6 1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 ZY7 (3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(nc(c1)C(=O)O)CN ZY9 6-(aminomethyl)pyridine-2-carboxylic acid +CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2 ZYA benzoyl-tyrosine-alanine-fluoro-methyl ketone +c1cc(ccc1/C(=N/O)/N)F ZYB 4-fluorobenzamidoxime +CCOC(=O)/C=C/c1ccc(c(c1)OC)O ZYC ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O ZYD (1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol +CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZYE n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O ZYF (9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O ZYG 9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid +c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6 ZYH (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone +c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3 ZYI n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide +COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O ZYJ (4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline +COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O ZYK (4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline +CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O ZYL 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O ZYM 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid +CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C ZYN 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C ZYO (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione +c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1 ZYP 5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide +CC(=O)Nc1nc2c(s1)C(=O)NCCC2 ZYQ n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide +C1CCc2c(c3c(s2)N=CNC3=O)C1 ZYR 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N ZYS [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone +CSc1[nH]c(c(n1)O)Cc2cccs2 ZYT 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol +c1[nH]c2c(n1)c(ncn2)N3CCOCC3 ZYU 6-morpholin-4-yl-9h-purine +c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN ZYV 1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine +c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN ZYW 1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +c1cc(ccc1CCN)S(=O)(=O)N ZYX 4-(2-aminoethyl)benzenesulfonamide +C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C ZYY n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC ZYZ (4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid +c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O ZZ0 2-(4-chloro-phenylamino)-nicotinic acid +CC1=CC(=O)Oc2c1cccc2 ZZ1 4-methyl-2h-chromen-2-one +Cc1cc(nc(n1)N)OCCOC ZZ2 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine +Cc1nc(nc(n1)SC)N ZZ3 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N ZZ4 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine +CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N ZZ5 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide +CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl ZZ6 2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C ZZ7 (2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC(=O)Nc1ccccc1C(=O)O ZZ8 2-(acetylamino)benzoic acid +CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ZZ9 5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine +c1ccc(cc1)n2cc(cn2)C(=O)O ZZA 1-phenyl-1h-pyrazole-4-carboxylic acid +[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ZZB [(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O ZZC [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N ZZD s-trityl-l-cysteine +CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N ZZE 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile +Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N ZZF 4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide +Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC ZZG 4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine +c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O ZZH (2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid +CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O ZZI (2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide +C[C@@H](C(=O)N)NC ZZJ n^2^-methyl-l-alaninamide +c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N ZZK 4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide +c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F ZZL 4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid +CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N ZZM 1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N ZZN 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N ZZO 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC ZZP n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide +COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5 ZZQ 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide +c1([nH][n+]2c(n[nH]c2n1)N)N ZZR 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium +c1nc(nc(n1)N)N ZZS 1,3,5-triazine-2,4-diamine +Cc1ccc(c(c1)N)OC ZZT 2-methoxy-5-methylaniline +C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O ZZU (2s,3s)-3-hydroxyarginine +C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C ZZV n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO ZZW 9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C ZZX (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide +c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N ZZY 1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O ZZZ 6-formyltetrahydropterin diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py index bf2c7dcf9..b4df188f7 100644 --- a/graphein/molecule/graphs.py +++ b/graphein/molecule/graphs.py @@ -26,8 +26,7 @@ from .chembl import get_smiles_from_chembl from .config import MoleculeGraphConfig -from .edges.atomic import add_atom_bonds -from .utils import compute_fragments +from .utils import compute_fragments, get_clique_mol, get_smiles, tree_decomp from .zinc import get_smiles_from_zinc try: @@ -136,6 +135,7 @@ def construct_graph( smiles: Optional[str] = None, zinc_id: Optional[str] = None, chembl_id: Optional[str] = None, + junction_tree: bool = False, generate_conformer: Optional[bool] = False, edge_construction_funcs: Optional[str] = None, edge_annotation_funcs: Optional[List[Callable]] = None, @@ -166,6 +166,9 @@ def construct_graph( :type zinc_id: str, optional :param chembl_id: ChEMBL ID to build graph from. Default is ``None``. :type chembl_id: str, optional + :param junction_tree: boolean to indicate whether to use a junction tree or not. Default is ``False``. + :type junction_tree: bool + :param generate_conformer: Whether to generate a conformer for the molecule. Defaults to ``False``. :param generate_conformer: Whether to generate a conformer for the molecule. Defaults to ``False``. :type generate_conformer: bool, optional @@ -271,30 +274,21 @@ def construct_graph( if config.add_hs: rdmol = Chem.AddHs(rdmol) - if coords is None: - # If no coords are provided, add edges by bonds - config.edge_construction_functions = [add_atom_bonds] - g = initialise_graph_with_metadata( - name=name, - rdmol=rdmol, - coords=None, - ) - else: - # If config params are provided, overwrite them - config.edge_construction_functions = ( - edge_construction_funcs - if config.edge_construction_functions is None - else config.edge_construction_functions - ) - - g = initialise_graph_with_metadata( - name=name, - rdmol=rdmol, - coords=np.asarray(coords), - ) + # If no coords are provided, add edges by bonds + # config.edge_construction_functions = [add_atom_bonds] + g = initialise_graph_with_metadata( + name=name, + rdmol=rdmol, + coords=coords, + ) # Add nodes to graph - g = add_nodes_to_graph(g) + if junction_tree: + jt = construct_junction_tree(rdmol) + jt.graph = g.graph + g = jt + else: + g = add_nodes_to_graph(g) # Add config to graph g.graph["config"] = config @@ -320,6 +314,34 @@ def construct_graph( return g +def construct_junction_tree(mol=Chem.Mol) -> nx.Graph: + """ + Constructs molecule structure junction tree graph from a ``smiles``. + + :param mol: smiles string to build graph from. Default is ``None``. + :type mol: str, optional # TODO docstring + :return: Molecule Structure Junction Tree Graph + :type: nx.Graph + """ + g = nx.Graph() + + cliques, edges = tree_decomp(mol) + clique_map = {} + for i, c in enumerate(cliques): + cmol = get_clique_mol(mol, c) + id = f"{get_smiles(cmol)}:{str(i)}" + g.add_node(id) + clique_map[i] = id + + for n1, n2 in edges: + n1, n2 = clique_map[n1], clique_map[n2] + if g.has_edge(n1, n2): + g.edges[n1, n2]["kind"].add("junction_tree") + else: + g.add_edge(n1, n2, kind={"junction_tree"}) + return g + + def compute_fragment_graphs( g: Union[nx.Graph, Chem.Mol], config: Optional[MoleculeGraphConfig] = None ) -> List[nx.Graph]: diff --git a/graphein/molecule/utils.py b/graphein/molecule/utils.py index 876e901f0..6880af6cb 100644 --- a/graphein/molecule/utils.py +++ b/graphein/molecule/utils.py @@ -213,7 +213,7 @@ def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol: """ new_mol = Chem.RWMol(Chem.MolFromSmiles("")) for atom in mol.GetAtoms(): - new_atom = copy_atom(atom) + new_atom = copy_rdmol_atom(atom) new_mol.AddAtom(new_atom) for bond in mol.GetBonds(): a1 = bond.GetBeginAtom().GetIdx() diff --git a/graphein/protein_ligand/Components-smiles-stereo-oe.smi b/graphein/protein_ligand/Components-smiles-stereo-oe.smi new file mode 100644 index 000000000..bfe01079b --- /dev/null +++ b/graphein/protein_ligand/Components-smiles-stereo-oe.smi @@ -0,0 +1,37103 @@ +COC(=O)O 000 methyl hydrogen carbonate +COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F 001 1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO 002 n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C 003 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc(cc1)[C@@H](C(=O)O)N 004 (2s)-amino(phenyl)ethanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N 005 (2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 006 (4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)C2(CCCC2)CN 007 1-methylamine-1-benzyl-cyclopentane +c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N 008 (s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O 009 (4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide +c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl 00A 5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine +CC1([C@H](NCS1)C(=O)O)C 00B (4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C([C@H](C(=O)O)N)S(=O)(=O)O 00C 3-sulfo-d-alanine +C[C@H](C(C)(C)C)N 00D (2r)-3,3-dimethylbutan-2-amine +C1COCCN1CC(=O)O 00E morpholin-4-ylacetic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O 00F (2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3 00G 5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole +c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O 00H 3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid +[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N 00I n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine +Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC 00J n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N 00K (1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N 00L (1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N 00M (2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N 00N (1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N 00O beta-phenyl-d-phenylalanine +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N 00P (5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N 00Q d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide +c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N 00R (5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide +[H]/N=C(/c1ccc(cc1)CN)\N 00S 4-(aminomethyl)benzenecarboximidamide +c1cc(c(cc1Cl)CN)CN 00T (4-chlorobenzene-1,2-diyl)dimethanamine +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N 00U (1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid +C(CCN)C[C@@H]([C@@H](C(=O)O)O)N 00V (2s,3s)-3,7-diamino-2-hydroxyheptanoic acid +[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N 00W 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid +c1ccc2c(c1)C[C@H]([C@H]2N)O 00X (1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol +c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O 00Y 1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine +c1ccc(cc1)CO 010 phenylmethanol +C(CCCN)CCC(=O)O 011 7-aminoheptanoic acid +CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O 012 (4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide +c1c(scn1)COC(=O)O 013 1,3-thiazol-5-ylmethyl hydrogen carbonate +c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O 014 1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N 015 (2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 016 (4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N 017 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2 018 2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline +CC(C)c1nc(cs1)CN(C)C(=O)O 019 methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O 01A 4-chlorophenacyl-coenzyme a +c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N 01B (2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N 01C (4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C 01E (2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide +CCOC(=O)O 01F ethyl hydrogen carbonate +C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N 01G 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) +C(CCNN)CN 01H 4-hydrazinylbutan-1-amine +c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O 01I naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O 01J n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine +CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N 01K [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate +B([C@H](CCCOC)N)(O)O 01L [(1r)-1-amino-4-methoxybutyl]boronic acid +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O 01M (3s)-1-carbamimidoylpiperidine-3-carboxylic acid +C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O 01N n-(carboxymethyl)-3-cyclohexyl-d-alanine +[H]/N=C(\c1cc(cn1C)CN)/N 01O 4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4 01P n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine +[H]/N=C(\c1ccc(n1C)CN)/N 01Q 5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide +c1cnccc1NCCN 01R n-(pyridin-4-yl)ethane-1,2-diamine + 01S n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide +CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid +c1cc2c(cc1N)sc(n2)N 01U 1,3-benzothiazole-2,6-diamine +c1cc(c(cc1Cl)CN)Cl 01V 1-(2,5-dichlorophenyl)methanamine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+] 01W (2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate +c1cc(c(cc1Cl)CN)OCC(=O)O 01X [2-(aminomethyl)-4-chlorophenoxy]acetic acid +C1CCC(C1)OCC(=O)O 01Y (cyclopentyloxy)acetic acid +C1CCC(CC1)OCC(=O)O 01Z (cyclohexyloxy)acetic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F 020 n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline +C1CCC(C1)NCC(=O)O 021 n-cyclopentylglycine +Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N 022 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid +C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O 023 n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide +c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 024 4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid +c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F 025 3-(trifluoromethyl)benzenesulfonic acid +C1CN(CCN1)CCCN 026 3-(piperazin-1-yl)propan-1-amine +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C 027 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one +CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 028 (1-hydroxyheptane-1,1-diyl)bis(phosphonic acid) +[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O 029 cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid +C1CN[C@@H]1C(=O)O 02A (2s)-azetidine-2-carboxylic acid +Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC 02B 4-methoxy-2,3,6-trimethylbenzenesulfonic acid +[H]/N=C(/c1csc(n1)CN)\N 02C 2-(aminomethyl)-1,3-thiazole-4-carboximidamide +[H]/N=C(/c1ccc(s1)CN)\N 02D 5-(aminomethyl)thiophene-2-carboximidamide +CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2 02E (e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine +COCCC[C@@H](N)P(=O)(O)O 02F [(1s)-1-amino-4-methoxybutyl]phosphonic acid +C(CS)/C=C/[C@H](CC(=O)O)O 02G (3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid +c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N 02H (2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol +c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N 02I (6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +Cc1cc(no1)C(=O)O 02J 5-methyl-1,2-oxazole-3-carboxylic acid +C1CCC(CC1)(C(=O)O)N 02K 1-aminocyclohexanecarboxylic acid +CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N 02L n-(2,2-dimethylpropyl)-l-asparagine +Cc1ccc(cc1)CN 02N 1-(4-methylphenyl)methanamine +CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N 02O 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine +C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 02P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide +Cc1ccccc1CCC(=O)O 02Q 3-(2-methylphenyl)propanoic acid +c1ccc(c(c1)CN)Cl 02R 1-(2-chlorophenyl)methanamine +c1ccc(cc1)COc2ccc(cc2)C(=O)O 02S 4-(benzyloxy)benzoic acid +Cc1ccsc1CN 02T 1-(3-methylthiophen-2-yl)methanamine +CCC(C)CCCC=CCCCCCCCC(=O)O 02U 14-methylhexadec-9-enoic acid +CN[C@@H](c1ccc(c(c1)O)O)C(=O)O 02V (2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid +Cc1nc2ccccc2n1CCN 02W 2-(2-methyl-1h-benzimidazol-1-yl)ethanamine +CC(C)[C@H](CC(=O)O)C(=O)O 02X (2s)-2-(propan-2-yl)butanedioic acid +C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N 02Y 6-diazonio-5-oxo-l-norleucine +c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N 02Z 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide +C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O 030 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O 031 (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F 032 n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3 033 n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O 034 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 035 (2s)-2,7-bis(phosphonooxy)heptanoic acid +C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O 036 (2r)-2,7-bis(phosphonooxy)heptanoic acid +C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O 037 (1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid +CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N 038 3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid +COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4 039 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one +CCCC(C(=O)C(=O)NC1CC1)N 03A (3s)-3-amino-n-cyclopropyl-2-oxohexanamide +Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O 03B 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid +Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N 03C [5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O 03D (2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide +C1CCCC(CC1)(C(=O)O)N 03E 1-aminocycloheptanecarboxylic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 03F (9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C 03G n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +CC(C)C[C@@H](C(=O)O)Cl 03H (2s)-2-chloro-4-methylpentanoic acid +C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C 03I (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O 03J 3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid +c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3 03K n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide +c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O 03L 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid +Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl 03M (5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione +[H]/N=C(\N)/N1CCC(CC1)CN 03N 4-(aminomethyl)piperidine-1-carboximidamide +CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O 03O 4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O 03P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide +c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F 03Q 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N 03R 2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid +CS(=O)(=O)O 03S methanesulfonic acid +c1ccc2c(c1)cc(s2)S(=O)(=O)N 03T 1-benzothiophene-2-sulfonamide +CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O 03U methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate +c1ccc2cc(ccc2c1)O 03V naphthalen-2-ol +C([C@H](C(O)O)O)O 03W (2r)-propane-1,1,2,3-tetrol +CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC 03X n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C[C@](CS)(C(=O)O)N 03Y 2-methyl-l-cysteine +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 03Z 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +Cc1ccccc1C(=O)CC(=O)C(=O)O 040 4-(2-methylphenyl)-2,4-dioxobutanoic acid +C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O 041 2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 042 n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine +c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O 043 4-(3-bromophenyl)-2,4-dioxobutanoic acid +CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 044 n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O 045 beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 046 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide +Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4 047 1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O 048 n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide +CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O 049 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol +c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4 04A n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O 04B 2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O 04C 1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol +C[C@H](CO)[C@H]([C@H](CC(C)C)N)O 04D (2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol +C(C(=O)O)I 04E iodoacetic acid +C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N 04F (1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2 04G 7-hydroxy-3h-phenoxazin-3-one +[H]/N=C(\N)/N1CCC[C@H](C1)CN 04H (3s)-3-(aminomethyl)piperidine-1-carboximidamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N 04J aminopterin +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C 04K 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5 04L 2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide +CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3 04M 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04N 2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O 04O 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose +[H]/N=C(\N)/N1CCC[C@H](C1)CO 04P (3r)-3-(hydroxymethyl)piperidine-1-carboximidamide +c1ccc(cc1)CNCC(=O)O 04Q n-benzylglycine +C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1 04R [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid +C1CNC[C@@H]1N 04S (3r)-pyrrolidin-3-amine +CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C 04T n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide +C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N 04U azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium +[H]/N=C(/[C@@H]1CCCN1)\O 04V (2s)-pyrrolidine-2-carboximidic acid +CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-] 04W 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid +C1COCCN1CC2=CC[C@H](NC2)C(=O)O 04X (2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid +c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4 04Y n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 04Z 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O 051 (1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid +Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6 052 n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 053 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O 054 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid +Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl 055 (2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid +c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl 056 3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid +CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3 057 n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl 058 1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 059 (2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2 05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3 05C 7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C 05D n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3 05F 4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3 05I 4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine +CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O 05J 1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 05L heptyl 1-seleno-beta-d-glucopyranoside +CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4 05M 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione +C[C@H]1[C@H](CN[C@@H]1C(=O)O)O 05N (3r,4r)-4-hydroxy-3-methyl-l-proline +c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F 05O (2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal +c1cc(c(cc1CC(=O)O)Cl)Cl 05R 2-(3,4-dichlorophenyl)ethanoic acid +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N 05S (6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +[H]/N=C(\N)/NC1CCC(CC1)CN 05T 1-[4-(aminomethyl)cyclohexyl]guanidine +CC(C)C[C@@H]([C@H](C(C)C)O)N 05U (3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol +C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O 05W (2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol +CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F 05X 2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide +CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3 05Y ~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide +CSC[C@H](C(=O)O)N 060 s-methyl-d-cysteine +CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O 061 2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one +c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-] 062 3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide +C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5 063 4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 064 3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 065 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate +Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C 066 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide +c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 067 p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 068 (3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid +c1cc(cc(c1)O)C(=O)NO 069 n,3-dihydroxybenzamide +C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 06A 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +COc1ccc(c(c1C(=O)O)OC)Br 06B 3-bromo-2,6-dimethoxybenzoic acid +CI 06C iodomethane +CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC 06D 1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one +c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br 06E 6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O 06F 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N 06H (6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide +Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O 06I 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N 06J (3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide +CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C 06M 6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +CCCNc1nn2c(cnc2s1)c3ccc(cc3)O 06N 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol +C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 06P d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F 06R 2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N 06S o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N 06T (5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3 06U 6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3 06V 6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3 06W 6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN 06X amlodipine +c1ccc(cc1)OCC(=O)O 06Y 2-phenoxyethanoic acid +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N 06Z {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone +c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O 070 (1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol +Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C 071 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O 072 (+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine +COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 073 (4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid +CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O 074 [propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C 075 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4 076 (s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O 077 (3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid +c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N 078 (2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3 079 (s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O 07B dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate +CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] 07C 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C 07D trans-geranyl bacteriochlorophyll a +C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O 07E (3s)-3-hydroxybutyl beta-d-xylopyranoside +CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4 07F 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one +CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O 07G 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium +c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5 07H [4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C 07I spliceostatin e (form i) +CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl 07J 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea +Cc1cccc2c1nccc2N 07K 8-methylquinolin-4-amine +c1cc2c(cc1O)OC(=O)C=C2 07L 7-hydroxy-2h-chromen-2-one +c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3 07M 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl 07N 2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid +C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N 07O s-[(2s)-2-phenylpropanoyl]-l-cysteine +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O 07P n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide +C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3 07Q 1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3 07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea +c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5 07S 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone +Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C 07T 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N 07U 2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine +CC1=CC[C@H](CC1=O)C(=C)C 07V (5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O 07Y (2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N 07Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid +C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC 082 (5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione +Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C 083 4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide +C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F 084 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine +c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5 085 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide +Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl 087 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O 088 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C 08A (3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br 08B 4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 08C 2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one +Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N 08D sulfamethoxazole +c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O 08E 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O 08F 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO 08G 1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea +Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl 08H 8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine +CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C 08I trans-geranyl bacteriopheophytin a +Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl 08J 8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine +Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl 08K 8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4 08L (2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid +c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N 08M n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine +C([C@H](C(=O)O)NC(=O)C(=O)O)S 08P n-(carboxycarbonyl)-d-cysteine +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O 08Q 5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC 08R 6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl 08S 3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide +[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F 08T [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium +C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O 08U 2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C 08W n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide +c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4 08X (2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide +CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O 08Y bromoergocryptine +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N 08Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide +COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4 090 n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide +c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2 091 (3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one +COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O 092 methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl 093 n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide +c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl 094 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2 095 tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O 096 (2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C 097 (2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O 098 (3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O 099 (2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O 09A benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2 09B 4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br 09C (3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2 09D (4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2 09E (4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2 09F 1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2 09G 3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate +c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5 09H 2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N 09I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide +CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5 09J 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide +c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F 09K n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F 09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O 09M (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O 09N (11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +c1cc(cnc1)N2CCCNCC2 09O 1-(pyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1)N2CCCNCC2 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane +c1ccc(cc1)c2cc(cnc2)N3CCCNCC3 09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane +c1cc(ncc1N2CCCNCC2)Br 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane +CCOc1cc(cnc1Br)N2CCCNCC2 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane +Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl 09T 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole +COCC1CC1 09U (methoxymethyl)cyclopropane +C1CC1CO 09V cyclopropylmethanol +C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O 09X 2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide +CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N 09Z [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N 0A l-adenosine-5'-monophosphate +C[C@](CC(=O)O)(C(=O)O)N 0A0 2-methyl-l-aspartic acid +COc1ccc(cc1)C[C@@H](C(=O)O)N 0A1 o-methyl-l-tyrosine +[B-]([C@H](CCCCN)N)(O)(OCC)OCC 0A2 [(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O 0A3 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 0A4 (2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C(CC(=O)O)CBr 0A5 4-bromobutanoic acid +CCOC(=O)[C@@H](CC(=O)O)O 0A6 (3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid +c1ccc(c(c1)CC(=O)O)C(=O)O 0A7 2-(carboxymethyl)benzoic acid +C(CCl)NC(=O)SC[C@@H](C(=O)O)N 0A8 s-[(2-chloroethyl)carbamoyl]-l-cysteine +COC(=O)[C@H](Cc1ccccc1)N 0A9 methyl l-phenylalaninate +CC(C)[C@@H](C(=O)OC)N 0AA methyl l-valinate +C[C@H]1C=COC(=O)[C@H]1N 0AB (3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N 0AC (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 0AD 2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O 0AE (3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol +c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N 0AF 7-hydroxy-l-tryptophan +CCOC(=O)N[C@@H](CC(C)C)C(=O)O 0AG n-(ethoxycarbonyl)-l-leucine +C([C@@H](C(=O)O)N)OC(=O)CBr 0AH o-(bromoacetyl)-l-serine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O 0AI methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid +CCS[C@H](C)SC 0AJ (1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane +C(CCl)OC(=O)C[C@@H](C(=O)O)N 0AK (2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O 0AL 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0AM 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)cccc2C[C@@H](C=O)N 0AO (2s)-2-amino-3-naphthalen-1-ylpropanal +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O 0AP 2'-deoxycytidine 3',5'-bis(dihydrogen phosphate) +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C 0AR n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 0AS asiatic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 0AT 2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I 0AU 5-iodouridine 5'-(dihydrogen phosphate) +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 0AV 2'-o-methyladenosine 5'-(dihydrogen phosphate) +B([C@H](CCCCN)N)(OCC)OCC 0AY diethyl [(1r)-1,5-diaminopentyl]boronate +C1[C@H](CN[C@H]1C(=O)O)O 0AZ (4r)-4-hydroxy-d-proline +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC 0B1 2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N 0B2 (2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2 0B3 (6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one +C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3 0B4 (6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one +C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF 0B5 ~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 0B6 ~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O 0BA 2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O 0BB 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C 0BC ~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide +CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O 0BD 3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside +[Be+2] 0BE beryllium +c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl 0BF 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O 0BH n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O 0BI (4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC 0BJ methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate +C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C 0BK n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C 0BM n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N 0BN 4-carbamimidoyl-l-phenylalanine +c1ccnc(c1)c2ccccn2 0BP 2,2'-bipyridine +c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3 0BQ 5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O 0BR (4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O 0BT 1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 0BU 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid +c1ccc2c(c1)cc(c3c2cccc3)CC=O 0BV phenanthren-9-ylacetaldehyde +CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC 0BW methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate +c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0BX 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0C l-cytidine-5'-monophosphate +c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O 0C0 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid +CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O 0C1 6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O 0C2 (3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide +c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C3 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl 0C7 n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F 0C8 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O 0C9 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid +[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N 0CA 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid +[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O 0CB {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid +C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C 0CC andiconin d +CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7 0CE 2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one +C#CCOP(=O)(O)OP(=O)(O)O 0CG prop-2-yn-1-yl trihydrogen diphosphate +C(CCOP(=O)(O)OP(=O)(O)O)CO 0CH 4-hydroxybutyl trihydrogen diphosphate +CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4 0CI 5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CC(=O)CCCOP(=O)(O)OP(=O)(O)O 0CJ 4-oxopentyl trihydrogen diphosphate +c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F 0CK 4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C(CCl)CCl 0CL 1,3-dichloropropane +CC#CCOP(=O)(O)OP(=O)(O)O 0CM but-2-yn-1-yl trihydrogen diphosphate +C=C=CCOP(=O)(O)OP(=O)(O)O 0CN buta-2,3-dien-1-yl trihydrogen diphosphate +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C 0CO (1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4 0CP 5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 0CR momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a +C([C@@H](C(=O)O)N)[S@@](=O)OO 0CS 3-[(s)-hydroperoxysulfinyl]-l-alanine +c1ccc2c(c1)[nH]nn2 0CT 1h-benzotriazole +c1c(cc(c2c1nn[nH]2)Cl)Cl 0CU 5,7-dichloro-1h-benzotriazole +Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC 0CV 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline +CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O 0CX (2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione +c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O 0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O 0D1 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol +c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4 0D2 (4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone + 0D3 n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3 0D6 n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide +C(CN)CO 0D8 3-aminopropan-1-ol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N 0DA 2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate + 0DB n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O 0DC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CN1c2cc(cnc2NC1=O)c3ccccc3 0DF 1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 0DG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N 0DI (2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one +CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N 0DJ 3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O 0DN 5'-deoxy-5'-fluorothymidine +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C 0DO (2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide +c1ccc(cc1)c2c(snn2)N 0DQ 4-phenyl-1,2,3-thiadiazol-5-amine +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N 0DS n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O 0DT 2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate +CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F 0DU n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO 0DV (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8 0DX 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone + 0DY n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide +CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2 0E0 (3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1 0E1 (7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile +CC[C@](C)([C@@H](C(=O)O)N)O 0E5 (2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid +c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2 0E6 amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium +[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC 0E7 methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0E8 di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate + 0E9 benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate +CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O 0EA (betar)-beta,3-dihydroxy-n-methyl-l-tyrosine +COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 0EC 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine + 0ED n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C 0EF n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide + 0EG n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide +CCCCCCC[C@](C)(C(=O)O)N 0EH (2r)-2-amino-2-methylnonanoic acid +Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C 0EI 4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide +C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 0EJ (2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid + 0EK 6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine + 0EL 6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine + 0EM n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3 0EN n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O 0EO (2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid +Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O 0ER methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate +CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 0ET [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate +CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C 0EU 1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0EV 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C 0EW n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide +c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N 0EX 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O 0EY 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 0EZ tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate +CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4 0F0 3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc2c(cc1Cl)sc(c2Cl)C(=O)O 0F1 3,6-dichloro-1-benzothiophene-2-carboxylic acid +CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O 0F2 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol +c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N 0F3 4-(sulfamoylamino)benzenesulfonamide +c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F 0F4 1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4 0F5 (5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione + 0F7 n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +c1cc(c(cc1Cl)c2cc[nH]n2)O 0F9 4-chloro-2-(1h-pyrazol-3-yl)phenol +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O 0FA n~2~-phosphono-l-leucinamide +CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N 0FG d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide +c1ccc(cc1)NC=S 0FI n-phenylthioformamide +c1cc2ccc(nc2c(c1)O)C(=O)N 0FK 8-hydroxyquinoline-2-carboxamide +C([C@@H](C(=O)O)NC=O)N 0FL 3-amino-n-formyl-l-alanine +c1ccc2c(c1)C(=O)C(C2=O)C#N 0FN 1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile +c1cc2c(cc1Br)C(=CC(=O)O2)O 0FO 6-bromo-4-hydroxy-2h-chromen-2-one +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O 0FP n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O 0FQ phenacyl coenzyme a +c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3 0FR furan-2-yl(1h-indol-3-yl)methanone +c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2 0FS (5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione +CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O 0FT 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +c1(c(nc(nc1O)N)N)N 0FU 2,5,6-triaminopyrimidin-4-ol +CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C 0FV (2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O 0FW 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N 0FX dtdp-4-amino-4,6-dideoxyglucose +Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F 0FY 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium +COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N 0FZ 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 0G l-guanosine-5'-monophosphate +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F 0G0 1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine +CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O 0G1 3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O 0G2 3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol +CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F 0G3 n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F 0G4 [[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N 0G5 n~5~-(3-iodobenzoyl)-l-ornithine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0G6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N 0G7 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 0G8 [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O 0GA 3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid +Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F 0GD 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine +[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 0GE n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide +Cc1cc(ccc1Br)C(=O)O 0GF 4-bromo-3-methylbenzoic acid +COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N 0GG 3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C 0GH n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N 0GJ l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide +CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O 0GM n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide +CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0GO (2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide +CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O 0GQ 4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3 0GR n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan +CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F 0GS (3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F 0GT (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F 0GU (3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C 0GV (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one +CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3 0GW 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br 0GX {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone +C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O 0GY (1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid +C1=C(C=C(OC1=O)C(=O)O)C(=O)O 0GZ 2-oxo-2h-pyran-4,6-dicarboxylic acid +CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O 0H0 carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O 0H2 [1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC 0H3 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one +Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F 0H4 (2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide +Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC 0H5 6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine +c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F 0H6 6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid +c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl 0H7 (3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O 0H8 n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide +COc1ccc(cc1)CNCCS(=O)(=O)O 0H9 2-[(4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3 0HD 1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br 0HG n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine +CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0HH l-gamma-glutamyl-s-nonyl-l-cysteinylglycine +CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 0HJ 6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C 0HK (1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane +[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N 0HL 4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide +c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O 0HM 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium +c1cc2c(cc1C(=O)O)OCO2 0HN 1,3-benzodioxole-5-carboxylic acid +c1cc2c(cc1C(=O)O)nsn2 0HO 2,1,3-benzothiadiazole-5-carboxylic acid +C=[N+]=[N-] 0HQ diazomethane +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O 0HT methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate +c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O 0HV 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC 0HW n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C 0HX pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0HY methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate + 0HZ amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium +C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C 0I3 andilesin c +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2 0I5 n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F 0IM 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cc2ccc(c(c2nc1)O)Cc3cccnc3 0IN 7-(pyridin-3-ylmethyl)quinolin-8-ol +C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C 0IP terretonin c +c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O 0IT amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium + 0IU (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0IV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4 0IW nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O 0IZ 3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C 0J0 (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane +CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC 0J1 (2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate +C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N 0J2 (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2 0J3 3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine +C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J4 (2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O 0J5 (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid +c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4 0J6 n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide +c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4 0J7 3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5 0J8 n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N 0J9 1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6 0JA 2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4 0JB n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide +C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3 0JC di-mu-iodobis(ethylenediamine)diplatinum(ii) +c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD (2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F 0JE 3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea +Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC 0JF (3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC 0JG methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate +Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C 0JH tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate +Cc1c(nnn1c2ccccc2)C(=O)O 0JI 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid +Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC 0JJ 7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine +c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O 0JK 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O 0JL 3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one +CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C 0JM (2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid +CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N 0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O 0JO 2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid +COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 0JP 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline +Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC 0JQ 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O 0JR (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide +CC(C)[C@@H](CCC(=O)O)N 0JT (4r)-4-amino-5-methylhexanoic acid +[H]/N=C\[C@H](CCC(=O)N)N 0JU (4s,5z)-4-amino-5-iminopentanamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC 0JV methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate +c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O 0JW (2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile +C(COP(=O)(O)OP(=O)(O)O)/C=C/O 0JX (3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate +CC(C)(C)C[C@@H](C(=O)O)N 0JY 4-methyl-l-leucine +CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 0JZ (4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N 0K0 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide +Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N 0K1 3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide +C(CC=O)COP(=O)(O)OP(=O)(O)O 0K2 4-oxobutyl trihydrogen diphosphate +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C 0K3 (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O 0K5 (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N 0K6 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +Cc1ccc(cc1)c2nc(cs2)C(=O)O 0K7 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12 0K8 ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione +C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0K9 (2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45 0KA silver/iron/sulfur cluster +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O 0KB [2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O 0KC {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4 0KD n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O 0KE (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5 0KF n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide +c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O 0KG {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O 0KH (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4 0KJ [(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3 0KK (2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0KL 5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate) +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC 0KM (2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one +C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC 0KN (2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide +Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C 0KO 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4 0KP (2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4 0KQ (2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4 0KR (2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one +CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2 0KS n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide +CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3 0KT n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO 0KU n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3 0KV 2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide +Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO 0KW n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 0KX 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine +CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S 0KY 3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O 0KZ [(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O 0L0 (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C(CCC(=O)O)CC(=O)O 0L1 hexanedioic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO 0L3 7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN 0L4 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L5 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0L6 5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN 0L7 2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O 0L8 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC 0L9 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid +C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O 0LA (2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F 0LB (1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide +c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N 0LC (1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O 0LD (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O 0LF (4r)-4-(4-phenylbutoxy)-l-proline +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O 0LG n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)ccn2CCN 0LH 2-(1h-indol-1-yl)ethanamine +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide +[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LJ n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LK n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N 0LL n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide +CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C 0LM n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide +CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C 0LN 13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide +c1ccc(cc1)c2cc(cnc2)C(=O)O 0LO 5-phenylpyridine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O 0LP 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid +c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6 0LQ (4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3 0LR (3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine +c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl 0LS n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline +CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 0LT n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O 0LU (2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CC1(Cc2cccc(c2O1)CO)C 0LV (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol +c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O 0LW (2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol +CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F 0LX (2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide +CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C 0LY n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide +c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl 0LZ n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide +CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C 0M1 n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide +C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O 0M2 (2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4 0M3 (3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl 0M4 n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide +c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl 0M5 n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide +CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1 0M6 n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide +CCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M7 [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0M8 [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) +CCCNCC(P(=O)(O)O)P(=O)(O)O 0M9 [2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C 0MA maslinic acid +c1ccc(cc1)c2nc(sn2)N3CCCNCC3 0MB 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MC {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O 0MD {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4 0ME (3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5 0MF n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide +C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N 0MG amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5 0MH n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O 0MI 1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5 0MJ (3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 0MK beta-l-ribopyranose +C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N 0ML (2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide +Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] 0MM [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone +COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3 0MN n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide +CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2 0MO (4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one +CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O 0MP n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide +C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O 0MQ [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5 0MR n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide +Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br 0MS [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone +c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O 0MT 4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid +CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N 0MU (2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3 0MV (3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +CCCCCCNCC(P(=O)(O)O)P(=O)(O)O 0MW [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5 0MX n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N 0MY n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide +c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O 0MZ 2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC 0N0 (3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O 0N1 (4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O 0N2 (2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O 0N3 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O 0N4 [({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 0N5 n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4 0N6 (r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 2-hydroxyisoquinoline-1,3(2h,4h)-dione +c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O 0N8 (2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O 0N9 5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O 0NA [({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O 0NB [({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +C[C@@H](C(=O)NC)N 0NC n-methyl-l-alaninamide +B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O 0ND [({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O 0NE [({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid +CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N 0NF (2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide +B(CNS(=O)(=O)CCl)(O)O 0NG ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid +CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3 0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C 0NI aurachin d +COc1ccc2c(c1)sc(n2)c3ccccc3F 0NJ 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole +CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC 0NK 6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine +CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3 0NL tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate +C(#N)O 0NM cyanic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4 0NN 1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F 0NP 2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine +CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C 0NQ n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide +COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N 0NR methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate +CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC 0NS 2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide +CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NT [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone +c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N 0NU 3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile +c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4 0NV 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N 0NW 3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide +c1ccc(cc1)c2cc(no2)CO 0NX (5-phenyl-1,2-oxazol-3-yl)methanol +Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC 0NY 7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine +C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 0NZ 2-deoxy-6-o-phosphono-beta-d-glucopyranose +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N 0O1 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N 0O2 guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) +C=C(CCOP(=O)(O)OP(=O)(O)O)CO 0O3 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate +c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4 0O4 4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4 0O5 4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC 0O6 (3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide] +CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C 0O7 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide +CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C 0O8 (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate +CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC 0O9 (2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate +CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC 0OA (1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate +c1ccc2c(c1)cc(s2)CCC(=O)O 0OB 3-(1-benzothiophen-2-yl)propanoic acid +CN(C)S(=O)(=O)c1ccsc1 0OC n,n-dimethylthiophene-3-sulfonamide +CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C 0OD trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) +c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O 0OE 4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid +CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F 0OF (3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C 0OG 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 0OH north-methanocarba-2'-deoxyadenosine triphosphate +CNC(=O)Nc1ccccc1F 0OI n-(2-fluorophenyl)-n'-methylurea +c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N 0OJ south-methanocarba-2'-deoxyadenosine triphosphate +c1ccc(cc1)N2C=Nc3ccccc3C2=O 0OK 3-phenylquinazolin-4(3h)-one +c1ccc(cc1)C(=O)N2CCCCC2 0OL phenyl(piperidin-1-yl)methanone +c1ccc(cc1)COC(=O)c2cccnc2 0OM benzyl pyridine-3-carboxylate +c1ccc(cc1)NC(=O)c2cccnc2 0ON n-phenylpyridine-3-carboxamide +c1ccc(cc1)Oc2cccc(c2)CO 0OO (3-phenoxyphenyl)methanol +c1ccc(cc1)COc2cccc(c2)CO 0OP [3-(benzyloxy)phenyl]methanol +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F 0OQ (1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O 0OR n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide +COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl 0OS {3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0OT 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl 0OU 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one +C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N 0OV [4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile +C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N 0OW 4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide +c1c(c(nc(n1)OC2CCCC2)N)C(=O)N 0OX 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide +c1cc(ccc1C(=O)N2CCOCC2)O 0OY (4-hydroxyphenyl)(morpholin-4-yl)methanone +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] 0P0 n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine +C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 0P1 n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide +B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O 0P2 n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl 0P4 n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine +COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4 0P5 4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one +c1cc2ccc(nc2c(c1)O)N 0P6 2-aminoquinolin-8-ol +COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2 0P8 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one +C1CCC(C1)CC(=O)O 0PA cyclopentylacetic acid +C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 0PC nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide +CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C 0PF 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide + 0PI n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine + 0PJ n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine + 0PK n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl 0PL (3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4 0PO n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide +CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C 0PP (2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide +c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O 0PQ n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O 0PR n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C 0PX n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide +c1ccncc1 0PY pyridine +CCCC[C@@H]1CO1 0PZ (2r)-2-butyloxirane +Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O 0Q1 (1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol +Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3 0Q2 (1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol +CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N 0Q4 n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide +CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C 0Q5 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide +c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N 0Q6 4-[(3-bromophenyl)methoxy]benzamide +CN(CCCC(=O)c1cccnc1)N=O 0QA 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one + 0QB (2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide +CCl 0QE chloromethane +CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3 0QF n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide + 0QG 3-methyl-l-valyl-l-prolyl-l-isoleucine + 0QH (1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium +CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O 0QI o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 0QJ 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 0QK 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C(CSSC[C@@H](C(=O)O)N)N 0QL 3-[(2-aminoethyl)disulfanyl]-l-alanine + 0QN n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F 0QQ n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide +c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N 0QR n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide +CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O 0QS n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide +c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O 0QV (4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione +c1ccc(c(c1)C(=S)N2CCCC2)O 0QW (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3 0QX 2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5 0QY n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide +C([C@H](C(=O)O)O)N 0QZ d-isoserine +c1ccc(c(c1)C#N)O 0R0 2-hydroxybenzonitrile +c1ccc2c(c1)cno2 0R1 1,2-benzisoxazole +CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R2 [(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid +CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0R3 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F 0R4 n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide +C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R5 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 0R6 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate) +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 0R7 [[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O 0R8 [(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F 0R9 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid +c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O 0RA 3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid +c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N 0RB 2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O 0RC 5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O 0RD 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CCCC[C@@H](CO)O 0RE (2s)-hexane-1,2-diol +C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O 0RF (2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one +c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN 0RI orladeyo +C([C@@H](C(=O)O)N)NC=O 0RJ 3-(formylamino)-l-alanine +Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O 0RK 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 0RM (2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C 0RN sulbactam +CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C 0RO 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine +CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC 0RP ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate +CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0RQ [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate +c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl 0RR 3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid +CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6 0RS {5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C 0RT 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc2c1NC(=NC2=O)CSc3ncccn3 0RU 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one +CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 0RV (2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid +Cc1c2ccccc2n[nH]1 0RW 3-methyl-2h-indazole +c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4 0RX 2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide +c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N 0RY (2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N 0RZ (2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid +c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N 0S0 4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C 0S1 n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C 0S2 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C 0S3 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0S4 n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O 0S5 n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C 0S6 methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate +Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br 0S7 5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br 0S8 5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br 0S9 5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine +CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 0SA undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F 0SB n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O 0SC 2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O 0SD 2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O 0SE 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol +CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O 0SF (2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O 0SG n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 0SH n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide +c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O 0SI 8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl 0SJ (1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F 0SK 8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one +c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O 0SL (3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O 0SM trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 0SN {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C 0SO tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate +CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 0SP 2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N 0SQ 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3 0SR 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C 0SS n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3 0ST 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO 0SU 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO 0SV 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea +c1ccc(cc1)CCNc2c3ccccc3ncn2 0SW n-(2-phenylethyl)quinazolin-4-amine +c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4 0SX 8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one +c1cnccc1c2cc3c([nH]2)CCNC3=O 0SY 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O 0SZ 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid +CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 0T0 3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide +CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 0T1 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate +CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 0T2 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide +c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3 0T3 4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F 0T4 3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F 0T5 3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide +Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC 0T6 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine +CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C 0T7 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline +c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 0T8 4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide +CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 0T9 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4 0TA 2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4 0TB 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +CS[C@@H]([C@@H](C(=O)O)N)C(=O)O 0TD (3s)-3-(methylsulfanyl)-l-aspartic acid +CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4 0TE chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper +C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N 0TF n~6~-d-ornithyl-l-lysine +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O 0TH n-(propylsulfonyl)-d-threonine +c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI (3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br 0TJ n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide +C(C[C@H](C(=O)OP(=O)(O)O)N)CN 0TK (2r)-2,5-diaminopentanoyl dihydrogen phosphate +CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC 0TM 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 0TN delta-ru(phen)2(dppz) complex +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl 0TO n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine +CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N 0TP 4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5 0TQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C1=CC=C(C(=O)C=C1)O 0TR 2-hydroxycyclohepta-2,4,6-trien-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O 0TS beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano syl-(1->4)-1-thio-beta-d-glucopyranose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O 0TT 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione +c1cc2c(cc1Cl)C=CC(=O)N2 0TU 6-chloroquinolin-2(1h)-one +CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl 0TX (4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine +Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 0TZ 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O 0U l-uridine-5'-monophosphate +Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5 0U0 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine +C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 0U1 2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO 0U3 n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O 0U4 n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C 0U5 (2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C 0U6 (2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl 0U7 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O 0U8 (1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol +C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 0U9 s-bicalutamide +c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 0UA 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O 0UB beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose +c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br 0UC 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride +[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C 0UD n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN 0UE ferrioxamine b +CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC 0UF 3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O 0UH 2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate) +c1cc2c(cc1O)-c3ccsc3NC2=O 0UI 8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one +CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3 0UJ n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide +C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O 0UK 3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid +c1ccc(cc1)c2cn3c(cn2)nc(n3)N 0UL 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine +CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 0UM (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl 0UN n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N 0UO 4-methoxy-l-tryptophan +C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UP 4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol +C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C 0UQ (5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide +C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5 0US n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide +c1ccc(cc1)C(c2ccccc2)(C(=O)O)O 0UT hydroxy(diphenyl)acetic acid +COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5 0UU methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate +CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O 0UV 4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide +c1ccc(cc1)C2=NNC(=O)N2 0UW 5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N 0UX 6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc(c(cc1[C@H](C(=O)O)N)Cl)O 0UZ (2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid +CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2 0V0 (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N 0V2 6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N 0V3 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC 0V4 (4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside +C[C@H](C(=O)O)OP(=O)(O)O 0V5 (2r)-2-(phosphonooxy)propanoic acid +[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 0V6 (2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one +c1cc(cc(c1)F)CNCCS(=O)(=O)O 0V7 2-[(3-fluorobenzyl)amino]ethanesulfonic acid +c1cc(cc(c1)Br)CNCCS(=O)(=O)O 0V8 2-[(3-bromobenzyl)amino]ethanesulfonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC 0V9 (19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate +[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VA n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C 0VB n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide +COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3 0VC 3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine +c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N 0VD (3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one +CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O 0VE 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol +COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3 0VF 4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid +C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5 0VG n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine +CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0VH 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide +COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O 0VJ 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione +CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VK 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F 0VM 2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile +CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N 0VN 2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile +CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO 0VO (4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol +CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O 0VP 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol +CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO 0VQ (3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol +c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 0VR 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 0VS l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine +CC(=CCCC(=O)C)C 0VT 6-methylhept-5-en-2-one +c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N 0VU 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide +c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2 0VV n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide +C1CNC(=NS(=O)(=O)N)NC1 0VW n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide +C1CO/C(=N\S(=O)(=O)N)/N1 0VX n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide +C1CCN(C1)/C(=N/S(=O)(=O)N)/N 0VY n'-sulfamoylpyrrolidine-1-carboximidamide +CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1 0VZ ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O 0W0 (4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid +Cc1c2cc(sc2n(n1)C)C(=O)O 0W1 1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid +C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6 0W2 1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea +C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O 0W3 (4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid +c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl 0W4 ~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +CC(C)CCCCC/C=C/C=C/C(=O)O 0W5 (2e,4e)-11-methyldodeca-2,4-dienoic acid +C[C@@H](CCC(=O)O)N 0W6 (4s)-4-aminopentanoic acid +c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3 0W7 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide +CCN1c2ccccc2NC1=O 0W8 1-ethyl-1,3-dihydro-2h-benzimidazol-2-one +c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O 0WA 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol +c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N 0WB 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile +C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O 0WC (2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N 0WD [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4 0WE n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5 0WF 1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F 0WH 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone +C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O 0WK 1,5-anhydro-6-o-phosphono-d-glucitol +C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5 0WL 1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WM (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F 0WN n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O 0WO (2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid +CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F 0WP 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide +CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O 0WR 2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol +c1c[nH]nc1c2cc(ccn2)C(=O)O 0WS 2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl 0WT (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC1=CC[C@@H](CC1=O)C(=C)C 0WU (5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one +Cc1ccc(cc1O)C(=C)C 0WV 2-methyl-5-(prop-1-en-2-yl)phenol +c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O 0WW 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O 0WX 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N 0WY 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N 0WZ 3-(1h-pyrazol-1-yl)-l-tyrosine +Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC 0X0 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O 0X1 (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl 0X2 2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide +c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F 0X3 n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 0X5 2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3 0X6 2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +Cc1ccccc1CNc2c(nccn2)C(=O)N 0X7 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C 0X8 (~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N 0X9 n~2~-sulfamoyl-l-arginine +Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O 0XA (4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione +c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3 0XB n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine +[H]/N=C(\CCCCN)/C(=O)O 0XC (2e)-6-amino-2-iminohexanoic acid +[H]/N=C(\CCSC)/C(=O)O 0XD (2e)-2-imino-4-(methylsulfanyl)butanoic acid +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2 0XE 5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid +Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N 0XF 6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide +CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O 0XG 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl 0XH 2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C/C(=C\COP(=O)(O)O)/c1ccccc1 0XI (2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate +CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C 0XJ (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCC(CC)(C(=O)O)N 0XL 2-amino-2-ethylbutanoic acid +c1ccc(cc1)C(c2ccccc2)N 0XM 1,1-diphenylmethanamine +c1cc(ccc1C(c2ccc(cc2)F)N)F 0XN 1,1-bis(4-fluorophenyl)methanamine +C[C@@](CCCCN)(C(=O)O)N 0XO 2-methyl-d-lysine +c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F 0XP 2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide +C[C@@](CCCCCCN)(C(=O)O)N 0XQ (2r)-2,8-diamino-2-methyloctanoic acid +CCOC(=O)/C=C/c1ccc(c(c1)O)O 0XR ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br 0XS 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide +Cc1c(nc2c(n1)c(nc(n2)N)N)OC 0XT 7-methoxy-6-methylpteridine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N 0XU (2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid +Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C 0XV (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone +C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C 0XW (2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0XX n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O 0XY 5-fluoro-n-acetyl-alpha-d-glucosamine +c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl 0XZ 4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N 0Y0 5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y1 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine +c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 0Y2 5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine +CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5 0Y3 n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C 0Y4 n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O 0Y5 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid +CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 0Y7 {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid +c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br 0Y8 (4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline +C=C[C@@H]1C[C@@]1(C(=O)O)N 0Y9 (1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid +C1CC1S(=O)(=O)N 0YA cyclopropanesulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O 0YB 2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cnc1)CN 0YC 1-(pyridin-3-yl)methanamine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O 0YD 3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid +c1ccc(cc1)c2cc(on2)CCC(=O)O 0YE 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)CCC(=O)O 0YF 3-(biphenyl-4-yl)propanoic acid +c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O 0YG n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC 0YH 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl 0YI 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C 0YJ 7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide +CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 0YK 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O 0YL (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid +Cc1c(csc1CCO)Cc2cnc(nc2N)C 0YN 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol +COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4 0YO 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br 0YP n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O 0YQ 2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) +C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O 0YR (2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide +c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O 0YS (5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline +CC(=O)NC1C(C(C(SC1O)CO)O)O 0YT 2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose +c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5 0YU n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide +c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN 0YV 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine +CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-] 0YW 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid +CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br 0YX (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid +CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O 0YY (2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid +CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O 0YZ (2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid + 0Z0 n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z1 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F 0Z2 n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z3 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F 0Z4 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N 0Z6 d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O 0Z7 n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1 0Z9 n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C 0ZA 3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one + 0ZB n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine + 0ZC (3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 0ZD n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N 0ZE [[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N 0ZG 3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide + 0ZI amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS 0ZJ n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide +CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O 0ZL n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 0ZN n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O 0ZO n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O 0ZP n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide +CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3 0ZQ n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZR n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZS n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O 0ZT n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO 0ZW n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide + 0ZX n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide +B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC 0ZY n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br 0ZZ 5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid +c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O 100 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N 101 2'-deoxy-adenosine 3'-monophosphate +c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N 102 gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O 103 2',5'-dideoxy-adenosine 3'-monophosphate +C(CNCCNCCN)N 104 n,n'-bis(2-aminoethyl)-1,2-ethanediamine +B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O 105 n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid +c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N 106 4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O 107 4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide +C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N 108 2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N 109 2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid +CCCCCCCCCC[N+](C)(C)CCCCCCCCCC 10A didecyl-dimethyl-ammonium +CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2 10B n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid +C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O 10C 4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF 10D (2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN 10E (2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O 10F n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS 10G (2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O 10H 1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one +[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC 10I n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N 10J 3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4 10K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide +c1cc2cn[nH]c2c(c1)N 10L 1h-indazol-7-amine +CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 10M decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside +CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C 10N n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N 10O 3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 10P d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N 10Q 2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O 10R 1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O 10S 1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane +Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid +c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N 10U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N 10V 3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F 10W 2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile +CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O 10X (9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O 10Y (9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid +COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 10Z n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine +CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O 110 3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester +CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C 111 (1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N 112 thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester +C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2 113 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O 114 (3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid +CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F 115 (3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid +CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O 116 7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 117 7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid +c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4 118 tetraphenylantimonium ion +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 119 tetraphenylphosphonium ion +CCCCCCCCCCC(=O)O 11A undecanoic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O 11B (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +C(C[C@H](C(=O)O)N)CC(=O)O 11C (2r)-2-aminohexanedioic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O 11D 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid +c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N 11E n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine +Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3 11F 5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C 11G (7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one +c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O 11H 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid +Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 11I methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I 11J n-biphenyl-3-yl-2-iodobenzamide +c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4 11K n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide +CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 11M 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine +c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN 11N 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine +CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O 11O (trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid +c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O 11P [(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) +C1CCC(CC1)CN2CCC[C@H]2C(=O)O 11Q 1-(cyclohexylmethyl)-l-proline +CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 11R ruthenium wire, 11 carbon linker +c1cc2c(cc[nH]2)cc1Cl 11S 5-chloro-1h-indole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N 11U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide +c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl 11V 1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O 11W (4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid +c1ccc(cc1)NCc2cccnc2 11X n-(pyridin-3-ylmethyl)aniline +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O 11Y 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid +C1CCC(CC1)CCCCCCCCCCC(=O)O 11Z 11-cyclohexylundecanoic acid +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O 120 2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 121 2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O 122 2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine +COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O 123 2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O 124 2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF 125 2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC 126 2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON 127 2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N 128 spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate +C(CP(=O)(O)O)N(C=O)O 129 [2(formyl-hydroxy-amino)-ethyl]-phosphonic acid +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O 12A 2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate +c1cc2cccc3c2c(c1)C(=O)N3 12B benzo[cd]indol-2(1h)-one +c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6 12C 4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N 12D 2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) +c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 12E n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O 12F [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl 12G {4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +C(CCCCCC(=O)O)CCCCCO 12H 12-hydroxydodecanoic acid +CN1CCN(CC1)c2c3ccccc3ncn2 12I 4-(4-methylpiperazin-1-yl)quinazoline +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I 12J 2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide +CC1(CCCCC1)NC(=O)O 12K (1-methylcyclohexyl)carbamic acid +CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C 12L (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid +CCc1ccccc1CO 12M (2-ethylphenyl)methanol +C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N 12N (2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O 12O (1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 12P dodecaethylene glycol +CN1c2ccccc2C=CC1=O 12Q 1-methylquinolin-2(1h)-one +c1ccc(cc1)NNc2c3cn[nH]c3ncn2 12R 4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN 12S 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +c1cc(c(cc1C(=O)O)N)C(=O)O 12T 2-aminobenzene-1,4-dicarboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N 12U n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O 12V (2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1CCC(C1)OC(=O)O 12W cyclopentyl hydrogen carbonate +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12X (4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O 12Y (4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline +c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N 12Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N 130 2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine +c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 132 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine +[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N 133 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine +[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N 134 6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine +[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N 135 n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide +[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N 136 n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide +c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 137 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O 138 n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N 139 adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O 13A 7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O 13C (5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione +C(CN)CN 13D 1,3-diaminopropane +CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N 13E n-[(2s)-2-amino-3-phenylpropyl]-l-methionine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3 13F 3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 13H (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O 13I (e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate +CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13J 3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N 13K n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N 13L 3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O 13M (2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid +c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O 13N (5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide +C(C(=O)COP(=O)(O)O)O 13P 1,3-dihydroxyacetonephosphate +c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O 13Q [(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid +CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13R 13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO 13S 13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid +C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O 13T 13-deoxytedanolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N 13U n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O 13V 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol +[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N 13W 3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile +c1c(cc(cc1O)O)O 13X benzene-1,3,5-triol +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O 13Y 2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O 13Z 2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol +CCCCCCCCCCCCCCCC(=O)NCC(=O)O 140 n-palmitoylglycine +C1=C2C(=NC(=O)NC2=O)NN1 141 oxypurinol +C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN 142 carbidopa +C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 143 s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine +C[N+](CO)(CO)CO 144 tris-hydroxymethyl-methyl-ammonium +c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 145 2-nitrophenyl beta-d-galactopyranoside +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O 146 [4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide] +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 147 4-nitrophenyl beta-d-galactopyranoside +C(CO)N(CCO)C(CO)(CO)CO 148 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O 149 d-galactonolactone +C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N 14A n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide +Cc1cc(c(c(c1)C(=O)O)N)C 14B 2-amino-3,5-dimethylbenzoic acid +Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl 14C 2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F 14D 5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O 14E (2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid +COc1cc(c(cc1OC)N)C(=O)O 14F 2-amino-4,5-dimethoxybenzoic acid +CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 14H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide +c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O 14I naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid +c1cc(oc1C(=O)O)Br 14J 5-bromofuran-2-carboxylic acid +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C 14K 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O 14L (11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3 14M {(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)O 14N 4-(4-methylpiperazin-1-yl)benzoic acid +c1cc2c(cc[nH]2)cc1F 14O 5-fluoro-1h-indole +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4 14Q 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine +CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7 14R 5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one +COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O 14S 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F 14T 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside +CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O 14U (2s)-2-methyl-3-oxooctadecanoic acid +CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O 14V 3,5-dioxoicosanoic acid +[H]/N=C(/C)\NCc1cccc(c1)CN 14W n-(3-(aminomethyl)benzyl)acetamidine +CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3 14X 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +CCCCCCCC\C=C\CCCCCCCC(=O)OC 14Y methyl(e)-octadec-9-enoate +CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C 14Z n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide +Cc1cc(c(cc1C)N)N 150 4,5-dimethyl-1,2-phenylenediamine +CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O 151 (2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid +C[N+](C)(C)C[C@@H](CC(=O)O)O 152 carnitine +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl 153 (2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid +c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl 154 (2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid +CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 155 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide +CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C 156 4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid +C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O 157 6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine +CC(=O)[C@H](CC(=O)O)NC(=O)CS 158 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid +c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O 159 2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid +C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N 15A (2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN 15B n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C 15C 2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione +CN1Cc2cc(ccc2NC1=O)Br 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one +[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2 15F 1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium +COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F 15G 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O 15H (1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3 15I 6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO 15J (1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol +[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O 15L d-galactaro-1,5-lactone +CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O 15M (5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide +c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N (2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid +c1ccc2c(c1)cccc2Cl 15O 1-chloronaphthalene +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P polyethylene glycol (n=34) +c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O 15Q 2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F 15R (9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one +C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O 15S n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O 15T 3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C 15U (2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid +Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4 15V n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O 15W 7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one +COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N 15X 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea +C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O 15Y (3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid +c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O 15Z 2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C 160 3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O 161 5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid +Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 162 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O 163 (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid +C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O 164 2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N 165 n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide +c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O 166 6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid +COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O 167 6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O 168 pantothenyl-aminoethanol-acetate pivalic acid +CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O 169 1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid +CCCCCCCCCCCCCCCC[N+](C)(C)C 16A cetyl-trimethyl-ammonium +C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 16B n-hydroxycytidine 5'-(dihydrogen phosphate) +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 16C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide +C(CCCN)CCN 16D hexane-1,6-diamine +C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 16E n-(16-carboxyhexadecanoyl)-l-glutamic acid +c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 16F n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O 16G 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO 16H n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4 16I n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide +c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl 16J [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] 16K 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine +Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C 16L n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide +CCSc1ccccc1 16M (ethylsulfanyl)benzene +c1ccc2c(c1)CCC2 16N 2,3-dihydro-1h-indene +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br 16O n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CCOCCOCCOCCOCCOCCOCC 16P 3,6,9,12,15,18-hexaoxaicosane +CCOc1ccccc1 16Q ethoxybenzene +CSc1ccccc1 16R (methylsulfanyl)benzene +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O 16S 2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O 16T 1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl 16U n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide +Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O 16V 3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid +c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N 16W 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4 16X 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine +C(CCCCCCCC(=O)O)CCCCCCCO 16Y 16-hydroxyhexadecanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O 16Z (2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol +c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-] 170 (2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide +c1ccc(cc1)NCCS(=O)(=O)O 171 2-phenylamino-ethanesulfonic acid +c1cc2c(cc1O)nc([nH]2)N 172 2-amino-5-hydroxy-benzimidazole +c1ccc(cc1)C(=O)C(=O)O 173 benzoyl-formic acid +c1cc(ccc1C(=O)O)Cl 174 4-chloro-benzoic acid +C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N 175 3,5-dihydro-5-methylidene-4h-imidazol-4-on +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N 176 1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide +CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl 177 1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide +CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O 178 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol +c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 179 n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 17A (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN 17B (2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 17C 2,2'-iminodibenzoic acid +c1ccc(cc1)Cc2ccccc2C(=O)O 17D 2-benzylbenzoic acid +CC1=CNC(=O)N=C1N 17E 5-methylcytosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC 17F o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine +c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F 17G 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one +CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O 17H 17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one +[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC 17I n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea +c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4 17J 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide +C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O 17K (3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine +CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC 17L (9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O 17M 17-methyl-17-alpha-dihydroequilenin +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O 17N 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid +c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2 17O (7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5 17P 1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide +CN(C)CCCCCOC1CCCCCCCCCCC1 17Q 1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F 17R (2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine +COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 17S n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 17T n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H]([C@H](C(=C)C)O)N 17U (3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol +CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N 17V 2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide +c1ccc(cc1)OCCSc2[nH]c3ccccc3n2 17W 2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole +c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8 17X (2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate +C1C[C@H]([C@H](C1)O)O 17Y (1r,2s)-cyclopentane-1,2-diol +Cc1cc(c2ccccc2c1O)O 17Z 2-methylnaphthalene-1,4-diol +c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O 180 2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid +c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO 181 1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO 182 1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO 183 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione +CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C 184 6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N 185 (6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol +C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2 186 [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F 187 1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O 188 pyochelin fe(iii) +Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C 189 n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide +CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18A n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C 18B 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O 18C n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 18D 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl 18E 7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol +c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4 18F 1-benzyl-2-phenyl-1h-benzimidazole +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC 18G 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3 18H 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 18I 3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide +CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C 18J n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide +Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C 18K n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O 18L (2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O 18M 2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate) +c1cc2cccc3c2c(c1)C(=O)NC3=O 18N 1h-benzo[de]isoquinoline-1,3(2h)-dione +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 18O n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 18P n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide +c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 18Q 2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 18R 3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide +Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 18S n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 18T [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 18U 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 18V 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 18W 3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N 18X methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O 18Y trioxacarcin a analogue, bound form +c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N 18Z 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C 190 n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O 191 propionyl coenzyme a +C1CC(C1)(C(=O)O)N 192 1-aminocyclobutanecarboxlic acid +C(CNC(=O)CCN)[C@@H](C(=O)O)N 193 (2s)-4-(beta-alanylamino)-2-aminobutanoic acid +c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O 194 4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O 195 4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid +c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O 196 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 197 4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid +C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O 198 r-bicalutamide +CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5 199 n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide +CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3 19A n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6 19B 4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide +c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F 19C 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O 19D (1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid +Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl 19E 11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol +Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC 19F 2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O 19G 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl 19H 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O 19J 2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C 19K n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N 19L (2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N 19M (2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid +[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O 19N [(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid + 19O natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate +Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C 19P 1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one +C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19Q 2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 19R 2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4 19S 2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C 19T (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid +CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 19U 1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide +CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N 19V 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide +C(C[C@@H](C(=O)O)N)CON 19W 5-(aminooxy)-l-norvaline +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl 19X 6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one +CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O 19Y 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O 19Z 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl 1A0 (3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine +c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5 1A1 n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide +CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F 1A2 5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile +c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3 1A3 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide +c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A4 n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide +c1cc(ccc1C(=O)N)N2CCOC2=O 1A5 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide +Cc1cc(on1)CSc2nnc3n2cccc3 1A6 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)C2=CSC(=O)N2)F 1A7 4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one +CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 1A8 n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide +c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4 1A9 3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide +c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N 1AA 5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine +C1[C@H]([C@@H]([C@H](N1)CO)O)O 1AB 1,4-dideoxy-1,4-imino-d-arabinitol +C1CC1(C(=O)O)N 1AC 1-aminocyclopropanecarboxylic acid +CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN 1AD (1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CCCC(=O)/C(=C/OP(=O)(O)O)/O 1AE (1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate +c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5 1AF 2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O 1AG (2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC 1AH 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C 1AI ~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide +c1csc2c1CN(CC2)C(=O)n3ccnc3 1AJ 6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone +CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N 1AK 4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile +C(C(=O)[O-])(NC(=O)N)NC(=O)N 1AL allantoate ion +COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5 1AM 2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide +c1ccc(c(c1)N)F 1AN 2-fluoroaniline +c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5 1AO 2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N 1AP 2,6-diaminopurine nucleotide +CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC 1AQ (3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C 1AR 4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C 1AS (~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 1AT beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4 1AU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea +c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4 1AV 7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3 1AW 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea +C([C@H](COC[C@@H](CO)O)O)O 1AX (2r,2'r)-3,3'-oxydipropane-1,2-diol +Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl 1AY (1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine +Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C 1AZ 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione +Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4 1B0 n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide +CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4 1B1 (2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O 1B2 n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O 1B3 n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC 1B4 n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl 1B5 2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4 1B6 n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C 1B7 n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C 1B8 3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C 1B9 3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine +CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O 1BA 4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C 1BB 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl 1BC 2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one +c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F 1BD 3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid +CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C 1BE n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C 1BF n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC 1BG (3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1BH n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol +c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6 1BI 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide +c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O 1BJ trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol +CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O 1BK trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O 1BL (2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid +CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O 1BM 3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol +c1ccc(cc1)Cn2ccnc2 1BN 1-benzyl-1h-imidazole +CCCCO 1BO 1-butanol +C[C@H](CBr)O 1BP 1-bromopropane-2-ol +CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO 1BQ [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone +CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C 1BR n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide +CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C 1BS 2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N 1BT (2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC 1BV (2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide +CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO 1BW n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide +CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O 1BX 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one +c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O 1BY [2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid) +CC1=CC(=O)N(C(=C1)Cc2ccccc2)O 1BZ 6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one +B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O 1C0 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N 1C1 amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O 1C2 3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O 1C3 1-(3,4,5-trimethoxybenzyl)-l-proline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O 1C4 (2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name) +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N 1C5 [[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine +Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C 1C7 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C 1C8 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one +COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F 1C9 (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 1CA desoxycorticosterone +C1CCC(C1)N 1CB cyclopentanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O 1CC 5-carboxy-2'-deoxycytidine monophosphate +C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O 1CD (13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione +C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1 1CE 3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O 1CF 2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside +c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F 1CG [(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid +CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C 1CH n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine +c1cc(ccc1n2ccnc2)Cl 1CI 1-(4-chlorophenyl)-1h-imidazole +CCO[C@H](c1cnn2c1cccc2)O 1CJ (r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol +Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br 1CK 4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58 1CL fe(8)-s(7) cluster, oxidized +CC[C@H](c1ccccc1)C(=O)Nc2ccncc2 1CM (2r)-2-phenyl-n-pyridin-4-ylbutanamide +c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 1CN 5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@@](CCS)(CC(=O)O)O 1CO (3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C 1CP coproporphyrinogen i +c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O 1CQ 4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol +COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O 1CR popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl 1CS 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea +c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O 1CT [2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid +[OH2][Cu+2] 1CU copper ion, 1 water coordinated +C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O 1CV (3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(c(c(c1)N)O)C(=O)O 1CW 3-amino-2-hydroxybenzoic acid +c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F 1CX (5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide +CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C 1CY 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 1CZ (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O 1D0 (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C 1D1 (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C 1D2 cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C 1D4 cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br 1D5 (4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid +Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O 1D6 {4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O 1D8 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F 1D9 3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 1DA 1-deaza-adenosine +CCCCCCCCCCS(=O)(=O)O 1DB 1-decane-sulfonic-acid +C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1DC 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide +Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F 1DD 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole +c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O 1DE 3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid +COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O 1DF 4-hydroxy-3-methoxy-5-nitrobenzoic acid +c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O 1DG (4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +c1c(sc(n1)N)Cl 1DH 5-chloro-1,3-thiazol-2-amine +c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N 1DI (2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one +C#C[C@H](c1ccccc1)O 1DJ (1r)-1-phenylprop-2-yn-1-ol +Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C 1DK {4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid +Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br 1DL 5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4 1DM n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1DN 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CCCCCCCCCCCCO 1DO 1-dodecanol +c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1DP n1-deaza-adenosine-5'-monophosphate +c1c([nH]cn1)C(F)(F)F 1DQ 5-(trifluoromethyl)-1h-imidazole +c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O 1DR 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde +CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O 1DS 1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4 1DT n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +c1cnn(c1)CCO 1DU 2-(1h-pyrazol-1-yl)ethanol +Cc1cc(n[nH]1)C(F)(F)F 1DV 5-methyl-3-(trifluoromethyl)-1h-pyrazole +c1cc(c(cc1O)C=O)Br 1DW 2-bromo-5-hydroxybenzaldehyde +c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O 1DX 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1DY n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3 1DZ 1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid +CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1E0 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +C1CC1C[C@@H]([C@H](C(=O)N)O)N 1E1 (2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide +CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O 1E2 (2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside +C(CCC[C@@H](C(=O)O)N)CCCN 1E3 (2s)-2,9-diaminononanoic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O 1E4 1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol +c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O 1E5 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid +COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O 1E6 6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl 1E7 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 1E8 1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl 1E9 n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide +Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4 1EA 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid +c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-] 1EB n-(4-nitrophenyl)cyclopropanecarboxamide +[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O 1EC [(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O 1ED (3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione +[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O 1EE [(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-) +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO 1EF n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N 1EG 5'-o-(l-alpha-glutamylsulfamoyl)guanosine +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl 1EH 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O 1EI 5'-o-(l-alpha-glutamylsulfamoyl)inosine +c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F 1EJ 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid +c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl 1EK {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid +Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2 1EL 9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC 1EM (1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate +c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F 1EN 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine +c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F 1EO (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol +CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C 1EP (5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione +c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5 1EQ 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine +CC(C)(C)c1cccc(c1)C2=CC=CNC2=O 1ER 3-(3-tert-butylphenyl)pyridin-2(1h)-one +Cn1cc(c2c1cccc2)CCN 1ES 2-(1-methyl-1h-indol-3-yl)ethanamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C 1ET 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3 1EU 1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C 1EV 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile +Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN 1EW 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) +CC/C=C\C=C/CCCCCCCCCCO 1EX (11z,13z)-hexadeca-11,13-dien-1-ol +CC/C=C\C=C/CCCCCCCCCC=O 1EY (11z,13z)-hexadeca-11,13-dienal +c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N 1EZ n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C 1F0 [(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +c1cc(cc2c1cc[nH]2)C(=O)O 1F1 1h-indole-6-carboxylic acid +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F2 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F3 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate +CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C 1F4 (3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O 1F5 (1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol +CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F 1F6 (3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione +CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O 1F7 s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate +Cc1c(c2ccccc2o1)C(=O)NCCS 1F8 2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide +c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F 1FA [(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl 1FB 1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O 1FC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +c1cc(ccc1CN)OC(F)(F)F 1FD 1-[4-(trifluoromethoxy)phenyl]methanamine +c1cc2c(cc1NC(=O)CN)NC(=O)N2 1FE n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide +Cn1c(c(cn1)C(=O)O)c2ccccc2 1FF 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid +CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4 1FG 2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O 1FH 12-phenylheme +c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F 1FI 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide +Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2 1FJ ~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide +CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3 1FK 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone +c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O 1FL 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid +C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O 1FM (3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F 1FN 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O 1FO 6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C1CN(CCN1)C=O 1FP piperazine-1-carbaldehyde +c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F 1FQ (2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid +C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO 1FR 3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl 1FS 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O 1FT 4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose +c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5 1FV n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FW (2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide +c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4 1FX (2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide +CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3 1FY (2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O 1FZ 5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine +c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N 1G0 cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N 1G1 n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-] 1G2 (2s)-2-azido-3-phenylpropanoic acid +CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N 1G3 (2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine +c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O 1G4 (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN 1G5 hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N 1G6 n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O 1G7 (3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione +c1cc(ccc1C[C@H](C(=O)O)N)CN 1G8 4-(aminomethyl)-d-phenylalanine +C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O 1G9 (3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione +CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C 1GA geraniline +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O 1GB (3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 1GC 2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine +c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N 1GD 2-phenyl-n-(4-sulfamoylbenzyl)acetamide +[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N 1GE 2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid +CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C 1GF (~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N 1GG (6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5 1GH 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one +C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O 1GI 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid +c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O 1GJ 4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3 1GK n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC 1GL 2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose +CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GM 4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O 1GN 2-amino-2-deoxy-beta-d-galactopyranose +c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N 1GO n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide +C([C@@H](COP(=O)(O)O)O)O 1GP sn-glycerol-1-phosphate +CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GQ 4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GR 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GS 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 1GT 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O 1GU 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O 1GV 4,4'-thiene-2,5-diylbis(3-methylphenol) +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 1GW 5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O 1GZ methylthioacryloyl-coa +CCOC(=O)C[C@@H](CC#N)O 1H1 ethyl (3r)-4-cyano-3-hydroxybutanoate +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O 1H2 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O 1H3 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol +c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 1H4 n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F 1H5 n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H6 n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H7 n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1H8 n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O 1H9 8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O 1HA 1-hydroxy-2-naphthoyl-coa +CN(C)C(=O)CC[C@@H](CO)N 1HB (4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide +C=CC(=O)N 1HC prop-2-enamide +CC(=O)NC[C@@H](CO)N 1HD n-[(2s)-2-amino-3-hydroxypropyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O 1HE 3-methylmercaptopropionate-coa (mmpa-coa) +c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2 1HF (3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid +C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HG n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HH n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HJ n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3 1HK 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol +C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 1HL n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F 1HM n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1ccc2c(c1)ccc(c2O)C(=O)O 1HN 1-hydroxynaphthalene-2-carboxylic acid +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F 1HO n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +Cn1c2cc(cnc2nc1N)c3ccc(cc3)O 1HP 4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol +c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F 1HQ n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl 1HR (1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid +C[C@@H](CSCCS(=O)(=O)O)O 1HS 2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC 1HT (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate +CNCCc1c[nH]c2c1cccc2 1HU 2-(1h-indol-3-yl)-n-methylethanamine +CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN 1HV 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide +COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO 1HW 1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone +C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N 1HX n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide +c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 1HZ 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine +CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7 1I0 3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N 1I1 ((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid +CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC 1I3 3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O 1I4 (r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine +COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O 1I6 methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6 1I8 (3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6 1I9 3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one +c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N 1IA (2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid +CCCCCCCC(=O)OC[C@H](C(=O)O)N 1IC o-octanoyl-d-serine +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C 1IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide +c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N 1IH (s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid +c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N 1IK (s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O 1IN 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide +c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N 1IO (s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N 1IP n~2~-(phosphonoacetyl)-l-asparagine +CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C 1IQ 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IR n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 1IS n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine +c1ccc2c(c1)c3ccccc3o2 1IT dibenzofuran +C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N 1IU [3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid +COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O 1IX (~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol +CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O 1J0 collinone +C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N 1J1 n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine +CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O 1J2 trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol +CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5 1J3 4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide +CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC 1J4 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O 1J5 trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile +C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O 1J6 (trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile +c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl 1J9 (2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O 1JB [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 1JC 1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide +Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl 1JD (2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide +CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O 1JE [(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O 1JF 4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O 1JG 2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3 1JH 2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid +CC[C@@H](O)P(=O)(O)O 1JJ [(1s)-1-hydroxypropyl]phosphonic acid +C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JK (2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3 1JL 2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid +CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O 1JM 4-carboxy-n-methyl-d-phenylalanine +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4 1JN 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole +c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N 1JO d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine +c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O 1JP d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide +C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O 1JQ (2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid +c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4 1JR (4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one +c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO 1JS n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide +Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4 1JT 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2 1JU 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole +CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O 1JV 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol +C(CCO)C[C@@H](CO)O 1JW (2s)-hexane-1,2,6-triol +C[C@@H]1C(=O)Nc2c(cccn2)N1 1JX (2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO 1JY n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid +[H]/N=C(\N)/Nc1ccc(cc1)CO 1JZ 1-[4-(hydroxymethyl)phenyl]guanidine +Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC 1K0 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one +CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC 1K3 5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine +CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O 1K4 n-decanoyl-l-homoserine +c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O 1K5 (9-oxoacridin-10(9h)-yl)acetic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O 1K6 (2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid +c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N 1K7 (1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine +c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl 1K8 3-chloranyl-2-piperazin-1-yl-quinoline +c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F 1K9 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea +C(COCC=O)O 1KA (2-hydroxyethoxy)acetaldehyde +CSCCC=C[C@H](CC(=O)O)O 1KC (3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid +CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N 1KD 1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] +c1c(cnc(c1Cl)N2CCNCC2)I 1KE 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine +CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C 1KG (3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate +C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O 1KH arsenoribose +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC 1KJ n~5~-(n-methoxycarbamimidoyl)-l-ornithine +c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N 1KK (s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid +CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 1KL methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate +C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O 1KM (2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O 1KN (2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol +c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl 1KO 2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide +c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl 1KP (3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one +Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C 1KQ 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone +CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O 1KR benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F 1KS 4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide +COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2 1KT 1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5 1KU (1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC 1KV 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612 1KW ortho-carborane +c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4 1KX {(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol +COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 1KY 6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one +COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4 1KZ 2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate +CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O 1L0 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N 1L1 3-cyclohexyl-n-sulfamoyl-d-alanine +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 1L2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 1L3 menaquinone-4 +c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L4 n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +C/C(=C\N(=O)=O)/c1ccccc1 1L5 [(1e)-1-nitroprop-1-en-2-yl]benzene +CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C 1L6 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one +c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N 1L7 (2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide +c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 1L8 8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1L9 n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 1LA n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2 1LB (2s)-2-cyano-3-(1h-indazol-5-yl)propanamide +c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N 1LC (2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide +C1=C(C(=NC(=O)N1)N)F 1LD 5-fluorocytosine +CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N 1LE (2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide +Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC 1LF 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide +c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N 1LG 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+] 1LH (2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O 1LI n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N 1LJ 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea +C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F 1LK 1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O 1LL thioditaloside +c1ccc2c(c1)c(ccn2)N 1LM quinolin-4-amine +C1=CC=[N](C(=C1)N)CCO 1LN 2-(2-aminopyridin-1-ium-1-yl)ethanol +C[C@H](C=O)c1ccccc1 1LP tranylcypromine +c1ccc2c(c1)c(ncn2)N 1LQ quinazolin-4-amine +c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O 1LR 3-(benzoylamino)-2-hydroxybenzoic acid +c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1LS 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea +Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F 1LT (2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide +CC(C)C[C@@H](C(=O)O)O 1LU (2s)-2-hydroxy-4-methyl-pentanoic acid +c1csc2c1c(c3c(n2)CCCC3)N 1LW 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine +c1cc(n2ccnc2c1)N 1LX imidazo[1,2-a]pyridin-5-amine +c1cc2nccn2cc1N 1LY imidazo[1,2-a]pyridin-6-amine +c1c[nH]c2c1ncc(c2)CO 1LZ 1h-pyrrolo[3,2-b]pyridin-6-ylmethanol +C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7 1M0 1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole +c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5 1M1 (6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline +CNc1[nH]c2ccccc2n1 1M2 n-methyl-1h-benzimidazol-2-amine +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 1M3 n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide +CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C 1M4 (4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C 1M5 (4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one +CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C 1M6 3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile +CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C 1M7 (4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one +Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4 1M8 5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C 1M9 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C 1MA 6-hydro-1-methyladenosine-5'-monophosphate +c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F 1MB 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one +CN1C=CC(=NC1=O)N 1MC 1-methylcytosine +Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN 1MD 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide +CC([C@H](C(=O)O)N)SC 1ME (2s)-2-amino-3-methylsulfanyl-butanoic acid +c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O 1MF 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N 1MG 1n-methylguanosine-5'-monophosphate +c1cc(cnc1)C[C@@H](C(=O)O)N 1MH 3-pyridin-3-yl-l-alanine +C(CO)C(CO)CO 1MI 2-(hydroxymethyl)butane-1,4-diol +c1c[nH]c2c1ncc(c2)C=O 1MJ 1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde +CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C 1MK chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii) +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C 1ML 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid +Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1MM methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br 1MN (2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one +CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MO (2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one +C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl 1MQ (2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid +CNc1ccccc1 1MR n-methylaniline +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-] 1MS n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl 1MT (2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MU 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O 1MV ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O 1MW 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid +c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 1MX 2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide +CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 1MY {(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid +Cn1cc[nH+]c1 1MZ 1-methylimidazole +[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N 1N 1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine +C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl 1N1 n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide +C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O 1N2 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione +COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN 1N3 1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide +CCCc1cnn(c1[C@H](C(=O)O)N)O 1N4 (2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid +C(C[C@@H](C[C@H](C(=O)O)O)O)CO 1N5 (2r,4s)-2,4,7-trihydroxyheptanoic acid +c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F 1N6 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one +C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 1N7 chapso +CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F 1N8 n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C 1N9 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O 1NA n-acetyl-o-methyl-d-glucosamine +C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O 1NB 2-(2-hydroxy-cyclopentyl)-pent-4-enal +c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1ND 1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3 1NE n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O 1NF n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide +c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4 1NG 1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole +C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2 1NH (2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O 1NI 4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N 1NJ 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC 1NK 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC 1NL 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid +COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N 1NM 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NN 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N 1NO 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine +c1ccc2c(c1)cccc2O 1NP 1-naphthol +CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3 1NQ n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide +CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NR 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2 1NS 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O 1NT (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid +c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F 1NU 1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N 1NV 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5 1NW 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide +C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C 1NX 2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C 1NY 4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid +c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6 1NZ 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F 1O0 6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one +Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O 1O1 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC 1O2 (2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate +c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br 1O3 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid +c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1O4 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C 1O5 5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide +CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C 1O6 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid +CCOc1ccc2c(c1)-c3ccsc3NC2=O 1O7 8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2 1O8 (2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O 1O9 (4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline +c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F 1OA n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N 1OB 5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F 1OC n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O 1OD (4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl 1OE 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid +c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1OF [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate +CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O 1OG 7-alkylidenecephalosporin dcm-1-10, bound form +CC(C)(c1ccccc1)c2ccc(cc2)O 1OH 4-(1-methyl-1-phenylethyl)phenol +COc1ccc2c(c1)-c3ccsc3NC2=O 1OI 8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3 1OJ (2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N 1OK (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide +C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O 1OL (2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O 1OM 4-{bis[4-(dimethylamino)phenyl]methyl}phenol +c1ccc2c(c1)CCC2=O 1ON 2,3-dihydro-1h-inden-1-one +c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F 1OO n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO 1OP o-(5-hydroxypentyl)-l-tyrosine +c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F 1OQ (2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile +CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 1OR (2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N 1OS [(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid +c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O 1OT {(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid +[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O 1OU [(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid +[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O 1OV [(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid +c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3 1OX 2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl 1OY (3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 1OZ n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide +c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO 1P0 2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol +Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N 1P1 (22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N 1P2 (23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone +C[C@@H]1CCCN(C1)C(=O)C 1P3 (3r)-1-acetyl-3-methylpiperidine +c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO 1P4 3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol +CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N 1P5 (3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide +C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N 1P6 3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine +c1cc2c(cc1Cl)C(=O)NC2 1P7 6-chloro-2,3-dihydro-1h-isoindol-1-one +c1cc2c(cc1Br)NC(=O)C2 1P8 6-bromo-1,3-dihydro-2h-indol-2-one +CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br 1P9 (3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid +c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O 1PA 4-(carboxymethyl)-l-phenylalanine +c1ccc(cc1)CC\C=C\c2ccccc2 1PB 1,4-diphenyl-2-butene +c1ccc(cc1)C2(CCCCC2)N3CCCCC3 1PC 1-(phenyl-1-cyclohexyl)piperidine +CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 1PD 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide +C(COCCOCCOCCOCCO)O 1PE pentaethylene glycol +CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3 1PF 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole +COCCOCCOCCOCCOCCO 1PG 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol +c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N 1PH 2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide +[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N 1PI (3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +COc1ccc(cc1)C2(CC2)C(=O)O 1PJ 1-(4-methoxyphenyl)cyclopropanecarboxylic acid +c1cc2cccc3c2c(c1)NC(=N3)N 1PK 1h-perimidin-2-amine +C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C 1PL (1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid +COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5 1PM methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate +C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C 1PN prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate +C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC 1PO n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl 1PP 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea +C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC 1PQ (4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N 1PR phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester +c1cc[n+](cc1)CCCS(=O)(=O)[O-] 1PS 3-pyridinium-1-ylpropane-1-sulfonate +C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2 1PT cyclohexane-1(r),2(r)-diamine-platinum(ii) +c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O 1PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea +B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O 1PV [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O 1PW (2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 1PX (2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +c1ccc(cc1)CC(=O)C(=O)O 1PY 2-oxo-3-phenylpropionic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O 1PZ (2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O 1Q0 (2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate +CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O 1Q1 1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one +[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O 1Q2 (4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one +c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O 1Q3 (1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile +c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O 1Q4 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one +CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C 1Q5 3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine +Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C 1Q6 6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C 1Q7 6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +c1ccc(cc1)C(=O)NCO 1Q8 n-(hydroxymethyl)benzamide +CCOc1c(cc(cc1CNc2[nH]nnn2)C)C 1Q9 n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O 1QA (2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid +CC(=O)NC1=CCC2=C(C1)CC=C2 1QB n-(4,7-dihydro-1h-inden-6-yl)acetamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N 1QC n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O 1QD [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 1QE n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4 1QF n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4 1QG (3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine +CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N 1QI (2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F 1QJ {4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol +CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO 1QK 3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium +CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2 1QL (2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4 1QM 9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine +CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C 1QN 1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine +c1ccc(cc1)CNc2nccc(n2)c3cccnc3 1QO n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine +CCOC(=O)c1cnn2c1cccc2 1QP ethyl pyrazolo[1,5-a]pyridine-3-carboxylate +CC[C@H](C)C(=O)C(=O)O 1QQ (3s)-3-methyl-2-oxopentanoic acid +c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4 1QR n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F 1QS n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O 1QT (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one +c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5 1QU 1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide +c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F 1QV 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)O 1QW (2r)-2,3-dihydroxypropyl dodecanoate +CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1QX dodecyl hydrogen (s)-(3-azidopropyl)phosphonate +CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O 1QY tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4 1QZ 6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4 1R0 6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O 1R1 hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate +c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-] 1R2 3-hydroxy-5-(3-nitrophenoxy)benzoic acid +CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O 1R3 n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] 1R4 l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine +c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F 1R5 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O 1R6 (12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione +c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5 1R7 n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O 1R8 (3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one +Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4 1R9 2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide +CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4 1RA ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate +c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 1RB 1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate +CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl 1RC (1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2 1RD n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide +CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC 1RE 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile +C(COCCO[V](O)(O)(O)O)O 1RF vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1) +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O 1RG (4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC 1RH n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide +c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4 1RI 3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC 1RK 6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid +CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O 1RL benzoxazinorifamycin-2b +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 1RM benzoxazinorifamycin-2c +C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O 1RN (e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine +c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4 1RO (5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F 1RP 6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O 1RQ cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C 1RR n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4 1RS 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +C1=C(C(=NC(=O)N1)N)C(=O)O 1RT 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5 1RU 7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine +c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2 1RV 2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 1RY [[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N 1RZ lamivudine triphosphate +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 1S0 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC 1S1 2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile +Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3 1S2 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O 1S3 (2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N 1S4 alpha-muramic acid +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N 1S5 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium +Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O 1S6 (2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2 1S7 (2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5 1S8 n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide +COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4 1S9 [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid +c1(nnc(s1)S(=O)(=O)N)N 1SA 5-amino-1,3,4-thiadiazole-2-sulfonamide +COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O 1SB n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O 1SC 5'-o-thiophosphonocytidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O 1SD (1s)-1,5-anhydro-1-sulfamoyl-d-galactitol +c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O 1SE n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide +c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O 1SF 1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O 1SG n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide +CNCCOP(=O)(O)O 1SH 2-(methylamino)ethyl dihydrogen phosphate +c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F 1SI 3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide +[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O 1SJ (3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O 1SL (3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C 1SM methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate +CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O 1SN (3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O 1SO (3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +CCC[C@@H](CO)O 1SP (2s)-pentane-1,2-diol +c1ccc2c(c1)ccnc2N 1SQ isoquinolin-1-amine +CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C 1SS (1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC 1ST (5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one +c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5 1SU n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C 1SV (4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium +c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F 1SW n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3 1SX 4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N 1SY cgamp +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C 1SZ n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide +CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 1T4 n-(pyren-1-yl)acetamide +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T5 3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid +[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N 1T6 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid +[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N 1T7 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O 1T8 methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O 1T9 (2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate +C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O 1TA triamcinolone acetonide +Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 1TB methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate +Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC 1TC n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2 1TD 3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O 1TE tebipenem +c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F 1TH 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione +Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O 1TJ 1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione +C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O 1TL 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O 1TM 4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] 1TN 5-hexyl-2-(2-nitrophenoxy)phenol +Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C 1TP 1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O 1TQ 6-(formylamino)-7-hydroxy-l-tryptophan +CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F 1TR 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N 1TS (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide +C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2 1TT (8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one +Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F 1TU 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol +C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O 1TW 2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +COC(=O)CCCC[C@@H](C(=O)O)N 1TX (2s)-2-amino-7-methoxy-7-oxoheptanoic acid +c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 1TY 3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine +Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C 1TZ (2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O 1U0 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N 1U1 5-chloro-3-sulfamoylthiophene-2-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N 1U2 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide +Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O 1U3 n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O 1U4 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine +C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O 1U5 (1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid +CCN1C(=O)CC(=O)N(C1=S)CC 1U6 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O 1U7 (4r,4as,8as)-4-phenyldecahydroquinolin-4-ol +Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C 1U8 (3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid +[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N 1U9 6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide +Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2 1UA 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O 1UC (2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N 1UD methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside +c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N 1UE 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O 1UF n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid +c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N 1UG 2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one +c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6 1UH 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine +CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC 1UJ methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate +CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F 1UK n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide +CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N 1UL 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone +Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O 1UN 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide +c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl 1UO trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol +[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N 1UP 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide +CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O 1UQ [(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O 1UR 4-(4-oxo-4h-chromen-2-yl)benzoic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl 1US 2-(2-chloranylphenoxy)-5-hexyl-phenol +CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UT 2-[4-(dimethylamino)phenyl]-4h-chromen-4-one +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5 1UV (3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid +CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 1UW ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N 1UX 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N 1UZ 4-(4-oxo-4h-chromen-2-yl)benzonitrile +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-] 1V0 2-(4-nitrophenyl)-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl 1V1 2-(4-chlorophenyl)-4h-chromen-4-one +c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl 1V2 (2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl 1V3 6-chloro-2-phenyl-4h-chromen-4-one +c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F 1V4 6-fluoro-2-phenyl-4h-chromen-4-one +c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F 1V5 n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide +c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N 1V6 4-(4-benzylphenyl)-1,3-thiazol-2-amine +c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4 1V8 2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one +CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1V9 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide +c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VA n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VB 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide +COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 1VC methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate +C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3 1VD n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N 1VE (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone +CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3 1VF 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4 1VG 2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC 1VI 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide +CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N 1VJ ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate +c1ccc(cc1)C(=O)c2c(non2)N 1VK (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone +c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O 1VL (3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N 1VM 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N 1VN 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N 1VO 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1 1VP n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine +Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-] 1VQ 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate +CC(C)[C@@H](CC(=O)O)N 1VR (3r)-3-amino-4-methylpentanoic acid +CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 1VS n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 1VT n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide +CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 1VU propionyl coenzyme a +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VV (1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6 1VW 2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 1VX (1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O 1VY 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4 1VZ 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine +c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4 1W0 (3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine +c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N 1W1 2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N 1W2 2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile +Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C 1W3 7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F 1W4 s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 1W5 (1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2 1W6 ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C 1W7 n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide +CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O 1W8 ceftaroline +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O 1W9 (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid +c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O 1WA 2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium +COc1cc(cc(c1)C(=O)O)C(=O)O 1WB 5-methoxybenzene-1,3-dicarboxylic acid +Cc1c(cn[nH]1)c2ccccc2Cl 1WC 4-(2-chlorophenyl)-5-methyl-1h-pyrazole +c1cc(c(nc1)C(=O)O)S 1WD 3-sulfanylpyridine-2-carboxylic acid +C[C@@H](Cc1ccccc1)N 1WE (2s)-1-phenylpropan-2-amine +C[C@@H](Cc1ccc(cc1)O)NC 1WF 4-[(2s)-2-(methylamino)propyl]phenol +C1=C(C(=O)C=C(C1=O)O)O 1WG 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione +Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN 1WH 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N 1WJ methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N 1WK methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO 1WL nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide +c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO 1WM (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide +C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O 1WN (betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide +CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C 1WO (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione +c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl 1WP (3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine +C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl 1WQ (2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one +c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN 1WS n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C 1WT 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one +B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O 1WU 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol +CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O 1WV (2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I 1WW {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F 1WX {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC 1WY n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O 1WZ 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid +C=CCCCC[C@@H](C(=O)O)N 1X0 (2s)-2-aminooct-7-enoic acid +c1ccc2c(c1)CCN(C2)C(=O)O 1X1 3,4-dihydroisoquinoline-2(1h)-carboxylic acid +c1ccc(cc1)CCCCCCN=C=S 1X2 6-isothiocyanatohexylbenzene +c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7 1X3 (2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate +C1C[C@H](O[C@@H]1COP(=O)(O)O)O 1X4 2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose +CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3 1X5 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid +C([C@@H](C(=O)O)N)OC(=O)/C=C/N 1X6 o-[(2e)-3-aminoprop-2-enoyl]-l-serine +c1c2c(c(cnc2N)C(=O)N)sc1Br 1X7 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide +c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N 1X8 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide +C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N 1X9 cerulenin +Cc1c(c(on1)N)c2ccccc2 1XA 3-methyl-4-phenyl-1,2-oxazol-5-amine +Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C 1XB 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide +c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F 1XC 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium +c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F 1XD n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O 1XE [5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N 1XF 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid +C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O 1XG (3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide +C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C 1XH 2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione +CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O 1XI ~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide +CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C 1XJ 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide +C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO 1XL 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol +c1c2c([nH]n1)NC(=S)N=C2N 1XM 4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione +c1ccc2c(c1)c([nH]c2N)N 1XN 2h-isoindole-1,3-diamine +c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3 1XO n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide +COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl 1XP 4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide +c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F 1XQ 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F 1XS 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid +Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O 1XT 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl 1XU 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid +c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl 1XV 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide +C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O 1XW (1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid +C[C@@H]1C(=O)C(=C(O1)C)O 1XX (2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one +c1ccc2c(c1)[C@@H](CCO2)N 1XY (4r)-3,4-dihydro-2h-chromen-4-amine +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 1Y0 (4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide +CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl 1Y1 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide +C1CC(CCC1[C@@H](C(=O)O)N)(F)F 1Y2 (2s)-amino(4,4-difluorocyclohexyl)ethanoic acid +CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y3 (3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O 1Y4 (3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid +c1ccc2c(c1)CCC[C@H]2N 1Y5 (1r)-1,2,3,4-tetrahydronaphthalen-1-amine +c1cc(ccc1C(=O)O)F 1Y6 4-fluorobenzoic acid +C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O 1Y7 (2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate +C[As](C)(C)CCO 1Y8 2-(trimethyl-lambda~5~-arsanyl)ethanol +CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C 1Y9 vibralactone, bound form +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O 1YA n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N 1YC 2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 1YD 2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O 1YE (5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O 1YF [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C 1YG (2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 1YH (3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N 1YJ n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O 1YK territrem b +Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C 1YL dihydrotanshinone i +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F 1YM 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid +CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl 1YN 2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +Cc1ccccc1CSc2nncn2N 1YO 3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F 1YP 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea +c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N 1YQ (2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N 1YR (2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YS (1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F 1YT (1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F 1YU (1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N 1YV n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3 1YW n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide +CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C 1YX n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide +C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4 1YY (2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N 1YZ 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC 1Z0 n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide +CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O 1Z1 n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide +Cc1c(c[nH]n1)c2ccc(cc2)F 1Z6 4-(4-fluorophenyl)-3-methyl-1h-pyrazole +CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC 1Z7 n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide +c1ccc(cc1)c2c[nH]nc2C(F)(F)F 1Z8 4-phenyl-3-(trifluoromethyl)-1h-pyrazole +c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN 1ZB n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide +COc1cccc(c1)C(=O)c2c(non2)N 1ZC (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 1ZD n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O 1ZG n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide +CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O 1ZK 4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium +C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC 1ZN (2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F 1ZQ 5,6-bis(4-fluorophenyl)pyridine-2,3-diol +CC(=O)N[C@@H](CS)C(=O)O 1ZT n-acetyl-l-cysteine +c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N 1ZV amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium +c1cc(ccc1CNC=S)C#N 1ZW n-[(4-cyanophenyl)methyl]methanethioamide +CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 1ZZ 5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 4-chloro-l-phenylalanine +c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N 201 3-amido-5-biphenyl-benzoic acid +OBr(=O)=O 202 bromic acid +c1[nH]c2c(n1)NS(=O)(=O)NC2=O 203 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide +CCOC(=O)c1cnc(nc1O)N 204 2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester +c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl 205 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2 207 1-amino-6-cyclohex-3-enylmethyloxypurine +CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O 208 (2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid +CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C 209 8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione +CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4 20A 1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O 20B 2-(3-hydroxyphenyl)-4h-chromen-4-one +Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O 20C 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F 20D 2-(4-fluorophenyl)-4h-chromen-4-one +C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O 20E (2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one +c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F 20F 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS 20G n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide +c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS 20H 1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide +CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl 20J 7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C 20K 2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine +c1ccc(cc1)Oc2ccc(cc2)C[NH3+] 20L (4-phenoxyphenyl)methylazanium +c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5 20M n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide +CC(=O)Nc1ccc(cc1)NC(=O)C2CC2 20N n-[4-(acetylamino)phenyl]cyclopropanecarboxamide +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4 20O (1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3 20P (1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide +CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl 20Q (3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3 20R n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O 20S beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F 20T 1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl 20U (2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O 20V 3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid +CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl 20W (2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F 20X n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3 20Y 4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N 20Z 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C(CN)C(O)(P(=O)(O)O)P(=O)(O)O 210 pamidronate +C(CO)N(CCO)CCO 211 2,2',2''-nitrilotriethanol +C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN 212 alendronate +c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5 213 4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid +Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6 214 6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid +CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5 215 (1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime +C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3 216 [4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone +C=CCC[C@@H](CO)O 217 (2s)-hex-5-ene-1,2-diol +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO 218 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium +c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2 219 cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate +c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4 21A 6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol +CNCCC=C1c2ccccc2CCc3c1cccc3 21B nortriptyline +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl 21C n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O 21D naphthalene-1,5-disulfonic acid +CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N 21E 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I 21F n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F 21G (2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +C(O)OCO 21H oxydimethanol +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl 21J n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl 21K n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O 21L methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate +CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 21M n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide +c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 21N n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O 21O {(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid +C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C 21P 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C 21Q 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl 21R n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide +CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl 21S n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide +CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5 21T 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N 21U d-leucyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 21V n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid +c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4 21W n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3 21X n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl 21Y 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N 21Z 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O 220 undeca-3,7-diene-1,3,7,11-tetracarbaldehyde +c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F 221 (2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide +c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl 222 2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione +c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO 223 (3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol +c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl 224 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole +CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C 225 felodipine +c1c(cc(c2c1c(c(cc2O)O)O)O)O 226 naphthalene-1,2,4,5,7-pentol +CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC 227 6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline +Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5 228 n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O 229 7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO 22A 7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O 22B bacterioruberin +CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl 22C 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 22D 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid +CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5 22E 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate +c1cc(ccc1C(=O)c2ccncc2)F 22F (4-fluorophenyl)(pyridin-4-yl)methanone +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N 22G n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine +C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O 22H 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol +c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F 22J (3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid +Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N 22K 5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2csc3c2C(=O)NC=N3 22L 5-phenylthieno[2,3-d]pyrimidin-4(3h)-one +[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N 22M 2-(2-methylphenyl)-1h-indole-6-carboximidamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O 22N (3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 22O n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc(cc1)CC[C@@](CN)(C(=O)O)O 22P (2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid +CC(C)CC1=N/C(=C\S)/C(=O)NC1=O 22Q (3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl 22S n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2 22T 7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N 22U d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N 22W 2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one +CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O 22X (3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N 22Y 3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid +CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 22Z 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O 230 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide +c1ccc(cc1)c2c[nH]cn2 231 4-phenyl-1h-imidazole +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC 232 1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane +COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O 233 [5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester +COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O 234 5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid +CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 235 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid +CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C 237 (2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O 238 6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N 239 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide +c1cc(c(c(c1)O)O)C=O 23A 2,3-dihydroxybenzaldehyde +C[C@H]([C@@](C)(C(=O)O)O)O 23B (2s,3r)-2,3-dihydroxy-2-methylbutanoic acid +c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O 23C 2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N 23D n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine +c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7 23E (2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid +c1ccc(cc1)\C=C(\C(=O)O)/N 23F (2z)-2-amino-3-phenylacrylic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N 23G guanosine-5'-phosphate-2',3'-cyclic phosphate +CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3 23H n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2 23I n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +c1ccc(c(c1)C(=O)C(=O)O)S 23J oxo(2-sulfanylphenyl)acetic acid +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F 23K 1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea +CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 23L (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N 23M 2-(3-methylphenyl)-1h-indole-5-carboximidamide +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O 23N (2r)-2-benzyl-3-nitropropanoic acid +CCC(=O)NC[C@@H](C(=O)O)N 23P 3-(propanoylamino)-l-alanine +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N 23Q (2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 23R (1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol +c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N 23S (s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O 23T 2',3'-dideoxy-thymidine-5'-triphosphate +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N 23U beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide +c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 23V n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +COC(=O)C(=C)CO 23W methyl 2-(hydroxymethyl)prop-2-enoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 23X n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide +c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O 23Y (2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1 23Z (2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O 240 (2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O 241 (2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F 242 3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide +CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O 243 (9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O 244 [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile +c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl 245 1-(2-chloropyridin-4-yl)-3-phenylurea +c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl 246 1-benzyl-3-(2-chloropyridin-4-yl)urea +c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O 247 (3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid +CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N 24A {[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid +c1cc(c(cc1F)F)CO 24B (2,4-difluorophenyl)methanol +c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl 24D n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide +c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2 24E 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one +CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O 24F (2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O 24G uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine +c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N 24H {[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid +c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I 24I (2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3 24K trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O 24L 4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid +CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N 24M (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid +CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N 24O (1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid +c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3 24P (2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine +CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4 24Q 6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide +Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N 24R n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] 24S n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +Cc1csc(n1)N 24T 2-amino-4-methylthiazole +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N 24U 1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6 24V 9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine +c1cc2c(c(c1)N)CCNC2 24W 1,2,3,4-tetrahydroisoquinolin-5-amine +[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N 24X 2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid +Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl 24Y 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O 24Z 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid +C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O 250 (2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3 251 n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide +CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 252 (1-hydroxynonane-1,1-diyl)bis(phosphonic acid) +Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N 253 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine +CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 254 6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2 255 n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide +c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O 256 phenyl(sulfo)acetic acid +c1ccc(cc1)OCCCl 258 (2-chloroethoxy)benzene +CSc1ccc(cc1)[N+](=O)[O-] 259 1-(methylsulfanyl)-4-nitrobenzene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N 25A 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine +CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl 25B (1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C 25D 2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine +c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 25E n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br 25F 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5 25G n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide +c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N 25H {2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C 25K n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N 25L [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O 25N (3,5-di-tert-butylphenyl)boronic acid +Cc1cc(n2c(n1)nc(n2)N)c3ccccc3 25O 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine +c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl 25P 4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate +COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N 25Q 2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +Cc1cnc(cn1)C 25R 2,5-dimethylpyrazine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F 25S (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide +Cc1c[nH+]c(s1)N 25T 2-amino-5-methylthiazole +CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3 25U 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C 25V n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N 25W (1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N 25X 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane +B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N 25Y 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N 25Z [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone +c1cc(c(c(c1)F)CBr)F 260 2-(bromomethyl)-1,3-difluorobenzene +CCOc1ccccc1O 261 2-ethoxyphenol +c1ccc(c(c1)C=O)OP(=O)(O)O 262 2-formylphenyl dihydrogen phosphate +Cc1cccc(c1)CN=[N+]=[N-] 263 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)NCC#N 264 (phenylamino)acetonitrile +c1cc(sc1)[N+](=O)[O-] 265 2-nitrothiophene +CCCSCCO 266 2-(propylsulfanyl)ethanol +Cc1cccc(c1)CN=[N+]=[N-] 267 1-(azidomethyl)-3-methylbenzene +c1ccc(cc1)OCCO 268 2-phenoxyethanol +c1ccc(cc1)[C@@H](CCCl)O 269 (1r)-3-chloro-1-phenylpropan-1-ol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 26A 6n-dimethyladenosine +Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C 26B o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine +c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F 26C 2',6'-difluorobiphenyl-4-carboxylic acid +c1cc(nc(c1)N)N 26D pyridine-2,6-diamine +B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N 26E 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC 26F (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1ncc(c(n1)N)Cc2cccc(c2)CCO 26G 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F 26J 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form +CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3 26K n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine +c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N 26L (1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine +c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26M n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F 26N nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide +c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O 26O n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine +C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O 26P 2-amino-6-oxopimelic acid +c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 26Q n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine +C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26R n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine +CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC 26S (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide +CC(=O)[C@H](C(=O)COP(=O)(O)O)O 26T (3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N 26U n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide +c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2 26V n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine +CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26W n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 26Y n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine +c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 26Z 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +C1=CC2=NC(N=C2C=C1)N 270 2h-benzoimidazol-2-ylamine +CNCc1ccccc1 271 n-methyl-1-phenylmethanamine +c1cc2c(cc1O)onc2c3ccc(cc3O)O 272 4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol +[H]/N=C(\C1CCCC1)/N 273 cyclopentanecarboximidamide +Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl 274 (3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide +Cc1ccc(c[n+]1C)N 275 5-amino-1,2-dimethylpyridinium +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl 276 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide +C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N 277 n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide +Cn1cccc1CN 278 1-(1-methyl-1h-pyrrol-2-yl)methanamine +CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC 279 n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N 27A (z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide +c1ccc2c(c1)ccc(c2Br)C(=O)O 27B 1-bromonaphthalene-2-carboxylic acid +CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O 27C 5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose +Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C 27D 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone +C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl 27E chlordecone +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N 27F 4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile +CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 27G benzyl butyl benzene-1,2-dicarboxylate +CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C 27H ferutinine +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N 27I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide +C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O 27J alpha-zearalanol +CCCCOC(=O)c1ccc(cc1)O 27K butyl 4-hydroxybenzoate +CC(C)(C)CC(C)(C)c1ccc(cc1)O 27L 4-(2,4,4-trimethylpentan-2-yl)phenol +c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O 27M bis(2,4-dihydroxyphenyl)methanone +c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O 27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol +C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O 27O (2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid +c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3 27P 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 27Q n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O 27R [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid +CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O 27S (5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N 27U n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide +[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O 27V (2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid +CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O 27W (3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol +CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N 27X ammosamide 272 +C1=C(C(=O)NC=C1Br)O 27Y 5-bromo-3-hydroxypyridin-2(1h)-one +c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N 27Z 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +Cn1cncc1C=O 280 1-methyl-1h-imidazole-5-carbaldehyde +CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 281 (2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid +COc1cccnc1 282 3-methoxypyridine +CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S 283 (3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol +C[C@H]1CCNC(=C1)N 284 (4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine +CC1[C@H](O[C@@H](N1)C)C 285 (2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine +C[n+]1ccccc1C=C 286 2-ethenyl-1-methylpyridinium +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC 287 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O 288 5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O 289 d-glycero-alpha-d-manno-heptopyranose +COc1cccc(c1)C2=NC(=O)C(=CC2)O 28A 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one +c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N 28B 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O 28C 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol +COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4 28D (2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O 28E (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4 28F 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea +C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4 28G 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea +C[C@H]([C@@H](C(C)C)O)C(=O)O 28H (2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N 28I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide +CC[C@H](C)[C@H](C(=O)O)N 28J d-alloisoleucine +C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O 28K (2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC 28L n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide +CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O 28M n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide +c1cc2c(cc1Br)N3C(=NOC3=O)CO2 28N 8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one +CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O 28O 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one +C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O 28P n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine +CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O 28Q n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide +CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O 28R n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide +C=CCNc1c2cc(ccc2ncn1)Br 28S 6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine +C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O 28T 1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline +CC(=CCCC(=CCC[C@](C)(C=C)O)C)C 28U (3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol +CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O 28V n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3 28W 3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O 28X o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine +c1cn-2c(n1)NC(=O)c3c2nc[nH]3 28Y 3h-imidazo[2,1-b]purin-4(5h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 28Z n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid +CC1=NC(=O)Nc2c1nc[nH]2 290 6-methyl-3,9-dihydro-2h-purin-2-one +C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O 291 prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside +c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4 292 n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O 293 2-deoxy-beta-l-galacto-heptopyranose +c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO 294 n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F 295 (2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid +COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N 296 (3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid +C(CCCCCCN)CCCCCN 297 dodecane-1,12-diamine +C\C=C\C=NCCCC/N=C/C=C\C 298 n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine +Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O 299 2,6-diformyl-4-methylphenyl dihydrogen phosphate +Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO 29A 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccncc3)F 29B 4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29C n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N 29D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3 29E (3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine +CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 29F 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one +c1c2c(nc(nc2ncn1)N)N 29G pyrimido[4,5-d]pyrimidine-2,4-diamine +c1c2c(ncn1)N=C(NC2=O)N 29H 2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one +CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O 29J 4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol +CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN 29K (7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O 29L 2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol +CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F 29M n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide +CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC 29N 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one +c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr 29O n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide) +Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 29P 3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid +c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O 29Q (5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol +Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O 29R 2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine +Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O 29S bazedoxifene +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N 29T 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N 29U 1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2 29V (3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid +Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 29W (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F 29X 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5 29Y (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5 29Z (1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide +CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N 2A0 n-[(2s)-2-aminohexyl]-l-norleucine +C[C@@H](CO)N 2A1 (2s)-2-aminopropan-1-ol +c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS 2A2 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol +C[C@H](CO)N 2A3 (2r)-2-aminopropan-1-ol +CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C 2A4 (2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N 2A5 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate) +c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 2A6 2-anilino-6-cyclohexylmethoxypurine +COc1cc(cc(c1)O)O 2A7 5-methoxy-benzene-1,3-diol +c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N 2A8 2-amino-phenylamino-dibenzosuberone +COc1ccc(cc1O)CO 2A9 5-(hydroxymethyl)-2-methoxyphenol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O 2AA 5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt +c1cc(ccc1CCN)[S@@](=O)O 2AB 4-(2-aminoethyl)benzenesulfonic acid +Cc1ccc(c(c1)N)O 2AC 2-amino-p-cresol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N 2AD 2'-amino-2'-deoxyadenosine +c1ccc(c(c1)C(=O)N)N 2AE 2-amino-benzamide +c1ccc(c(c1)N)O 2AF 2-aminophenol +C=CC[C@@H](C(=O)O)N 2AG (2s)-2-aminopent-4-enoic acid +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 2AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cnc([nH]1)N 2AI 1h-imidazol-2-amine +C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AJ [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +Cc1cc2c(c(c1)Br)NC(=O)C2=O 2AK 7-bromo-5-methyl-1h-indole-2,3-dione +C1(=O)C(=NC(=O)N1)NC(=O)N 2AL 1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N 2AM adenosine-2'-monophosphate +c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O 2AN 8-anilino-1-naphthalene sulfonate +CCCC[C@@H](CO)N 2AO (2s)-2-aminohexan-1-ol +c1cc[nH+]c(c1)N 2AP 2-aminopyridine +c1ccc2c(c1)ccc(n2)N 2AQ quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N 2AR 2'-deoxyaristeromycin-5'-phosphate +C[C@H]([C]O)[C@@H](C(=O)(=O)O)N 2AS (2s,3s)-3-methyl-aspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C 2AT 2'-o-allyl thymidine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N 2AU 2'-aminouridine +C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN 2AV [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O 2AW 6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid +C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O 2AX (3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid +CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O 2AY n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl 2AZ n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide +Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O 2B0 [2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O 2B1 (4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B2 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F 2B3 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide +c1cc(ccc1OC(C(=O)O)C(=O)O)Br 2B4 2-(4-bromanylphenoxy)propanedioic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3 2B5 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O 2B6 (4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3 2B7 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea +CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O 2B8 (5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid +CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O 2B9 [(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N 2BA (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C 2BB (2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide +c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br 2BC n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide +C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O 2BD n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl 2BE 4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O 2BF alpha-benzyl-aminobenzyl-phosphonic acid +c1ccc2c(c1)nc(s2)CN 2BG 1-(1,3-benzothiazol-2-yl)methanamine +[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O 2BH [(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-) +Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl 2BI 2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide +Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-] 2BJ 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O 2BK n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine +CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O 2BL (3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid +C(Br)Br 2BM dibromomethane +CC1([C@@H]2CC[C@]1(NC2)C)C 2BN (1r,4s)-2-azabornane +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O 2BO n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine +c1c2c([nH]cn2)nc(n1)N 2BP 9h-purin-2-amine +c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl 2BQ 2-hydroxysaclofen +c1ccc(c(c1)O)Br 2BR 2-bromophenol +CCOC(=O)c1ccc2c(c1)sc(n2)N 2BS ethyl 2-amino-1,3-benzothiazole-6-carboxylate +CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O 2BT 2'-o-butyl-thymidine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O 2BU (2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O 2BV (r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid +CCOC(OCC)P(=O)(CCCN)O 2BW (s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid +CC1(CO[C@H](CN1)CC(=O)O)C 2BX [(2s)-5,5-dimethylmorpholin-2-yl]acetic acid +c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl 2BY phaclofen +Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl 2BZ 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine +c1cc(ccc1[C@@H](CC(=O)O)CN)Cl 2C0 baclofen +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br 2C1 n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O 2C2 (2s)-2-hydroxy-2h-chromene-2-carboxylic acid +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl 2C3 n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC 2C4 methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate +Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl 2C5 2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile +c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4 2C6 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide +c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3 2C7 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4 2C8 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide +Cc1cccc(c1N)N 2C9 3-methylbenzene-1,2-diamine +CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3 2CA benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C 2CB 6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide +c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl 2CC 3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid +CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl 2CD 3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl 2CE n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C 2CF (2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N 2CG (1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid +c1ccc(c(c1)O)Cl 2CH 2-chlorophenol +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O 2CJ (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid +c1ccc2c(c1)CCNC2 2CK 1,2,3,4-tetrahydroisoquinoline +c1cc(c(c(c1)Cl)CC(=O)O)Cl 2CL (2,6-dichlorophenyl)acetic acid +Cc1cccc(c1N)Cl 2CM 2-chloro-6-methyl-aniline +CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br 2CN 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid +C([C@@H](C(=O)O)N)SOO 2CO s-hydroperoxycysteine +C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O 2CP 2-carboxypropyl-coenzyme a +Cc1cc(c(cc1Cl)N)N 2CQ 4-chloro-5-methylbenzene-1,2-diamine +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C 2CR (1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid +CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4 2CS 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC 2CT (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N 2CU 3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide +CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O 2CV hega-10 +C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O 2CW 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide +CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O 2CX n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide +c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N 2CY 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine +CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 2CZ n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1cc2c(c(c1)Cl)nc(s2)N 2D0 4-chloro-1,3-benzothiazol-2-amine +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C 2D1 n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide +Cc1c(cc(o1)c2ccccc2)C(=O)O 2D2 2-methyl-5-phenylfuran-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccno2)C(=O)OC 2D3 methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O 2D4 n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide +c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 2D5 5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine +c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N 2D6 n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide +CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl 2D7 n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide +C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O 2D8 (2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl 2D9 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N 2DA 2',3'-dideoxyadenosine-5'-monophosphate +[B-](O)(O)(O)OC[C@H](CO)O 2DB (s)-(2,3-dihydroxypropoxy)trihydroxyborate +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O 2DC (3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol +c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N 2DD 3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide +CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C 2DE (2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O 2DF n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide +C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2DG 2-deoxy-alpha-d-galactopyranose +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F 2DH [5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O 2DI 9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DJ (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3 2DK {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CCN(CC)C(=O)c1ccc(c(c1)OC)O 2DL 2-methyl-4-diethylamide-phenol +c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O 2DM 2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DN [2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid +CCCC[C@@H](C(O)O)N 2DO (2s)-2-aminohexane-1,1-diol +CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2DP 3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol +COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC 2DQ (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR 2-deoxy-beta-d-erythro-pentofuranose +c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 2DS n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O 2DT 3'-deoxythymidine-5'-monophosphate +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3 2DU {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F 2DV [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3 2DW {5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC 2DX (3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide +CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC 2DY (3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F 2DZ [5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3 2E1 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O 2E2 1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 2E3 (2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid +c1cc(cnc1)COP(=O)(O)OP(=O)(O)O 2E4 pyridin-3-ylmethyl trihydrogen diphosphate +c1cnccc1COP(=O)(O)OP(=O)(O)O 2E5 pyridin-4-ylmethyl trihydrogen diphosphate +c1ccnc(c1)COP(=O)(O)OP(=O)(O)O 2E6 pyridin-2-ylmethyl trihydrogen diphosphate +c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl 2E7 (6-chloropyridin-3-yl)methyl trihydrogen diphosphate +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N 2E8 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl 2E9 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N 2EA (1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine +c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl 2EB 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCn1cnc2c1ncnc2N 2EC 9-ethyl-9h-purin-6-ylamine +CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O 2ED n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide +C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl 2EE 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea +CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2 2EF 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea +CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 2EG 2'-deoxy-n-ethylguanosine 5'-phosphate +CCCC[C@H](CC)CO 2EH (2s)-2-ethylhexan-1-ol +C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2 2EJ 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea +c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl 2EK 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO 2EL (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol +Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3 2EM 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea +C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl 2EN 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5 2EO 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide +CC[C@H]1CCCCN1 2EP 2-ethylpiperidine +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4 2EQ 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N 2ER [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O 2ET n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine +c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O 2EU 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl 2EV (3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide +[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 2EW (3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N 2EX (4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4 2EY 4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one +CCc1[nH]ccn1 2EZ 2-ethylimidazole +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl 2F0 2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br 2F1 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +COC 2F2 dimethyl ether +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl 2F3 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F 2F4 2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 2F5 1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone +Cc1c(cn(n1)C)c2cc[nH]n2 2F6 1',3'-dimethyl-1h,1'h-3,4'-bipyrazole +CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F7 n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 2F8 methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F 2F9 n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N 2FA 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5 2FB (6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine +CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4 2FC n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N 2FD 5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 2FE 2'-fluoro-2'-deoxy-1,n6-ethenoadenine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN 2FF (5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O 2FG 2-deoxy-2-fluoro-beta-d-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C 2FH 2-phenylheme +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O 2FI 2'-fluoro-2'-deoxyinosine +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1 2FJ tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer +[O-]=O 2FK superoxo ion +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O 2FL 2-fluoro-2-deoxy-lactose +C(CSC(F)F)[C@@H](C(=O)O)N 2FM s-(difluoromethyl)homocysteine +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 2FN n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +C(=CO)C=C(C(=N)C(=O)O)C(=O)O 2FO (2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid +C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O 2FP 1,6-fructose diphosphate (linear form) +Cc1ncc2c(n1)N(C(=O)C(=C2)N)C 2FQ 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4 2FR 3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide +c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O 2FS (1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid +C(CC(C(=O)O)(F)F)C(=O)O 2FT 2,2-difluoropentanedioic acid +C(=CC=O)C=O 2FU but-2-enedial +c1ccc2c(c1)cc(s2)CC(=O)O 2FX 1-benzothiophen-2-ylacetic acid +CCC(=O)c1ccc(cc1O)O 2FY 1-(2,4-dihydroxy-phenyl)-propan-1-one +CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5 2FZ (3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O 2G0 (2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F 2G1 4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide +C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N 2G2 l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +CC(C)(C)CCN 2G3 3,3-dimethylbutan-1-amine +c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2G4 n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid +c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2G5 n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G6 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G7 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G8 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid +CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2G9 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC 2GA 2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole +c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GB n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid +CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O 2GC p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid +CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl 2GD 6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine +c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 2GE n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine +C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl 2GF [(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 2GG 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 2GH n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide +CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4 2GJ 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide +B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O 2GK (2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C 2GL 4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C 2GM dihydroergotamine +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6 2GN n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide +CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C 2GO [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N 2GP guanosine-2'-monophosphate +c1ccc2c(c1)C=C(NC2=O)N3CCCC3 2GQ 3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one +c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O 2GR n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid +CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O 2GS 2-o-methyl-alpha-d-galactopyranose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C 2GT 2'-o-propargyl thymidine-5'-monophosphate +CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C 2GU 5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GV (4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O 2GW 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate +c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N 2GX beta-phenyl-l-phenylalanine +CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C 2GY (4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one +CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2GZ p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid +CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 2H0 p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid +Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N 2H1 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F 2H2 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide +C1(C(C(C(C(C1O)O)O)O)O)O 2H3 (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol +c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O 2H4 (1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O 2H5 3-deoxy-3-fluoro-beta-d-galactopyranose +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F 2H7 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O 2H8 (3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 2H9 n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid +C(C(=O)CO)O 2HA dihydroxyacetone +c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5 2HB n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide +c1ccc(c(c1)\C=C\C(=O)O)O 2HC (2e)-3-(2-hydroxyphenyl)acrylic acid +CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC 2HD (2r)-2,3-dibutoxypropyl (r)-octylphosphinate +C(CP(=O)(O)O)O 2HE (2-hydroxyethyl)phosphonic acid +c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N 2HF 2-fluoro-l-histidine +C(CC(=O)O)[C@H](C(=O)O)O 2HG (2r)-2-hydroxypentanedioic acid +Cn1c(ccn1)C(=O)Nc2cccnc2 2HH 1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide +c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O 2HI (2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one +CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3 2HJ 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide +COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O 2HK 4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol +c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5 2HL 1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide +CC(C)C[C@H](CC(=O)NO)C(=O)O 2HM (2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid +C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 2HN (1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1cc(c(cc1C(=O)N)F)F 2HO 3,4-difluorobenzamide +OP(=O)(O)[O-] 2HP dihydrogenphosphate ion +c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ 5-chloro-1h-indole-2,3-dione +CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1 2HR hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester +CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1 2HS hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester +Cc1cccc(c1)C#N 2HT 3-methylbenzonitrile +c1cc2c(cc[nH]2)cc1[N+](=O)[O-] 2HU 5-nitro-1h-indole +CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3 2HV 2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide +c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N 2HW 3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide +C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 2HX n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO 2HY 2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O 2HZ (2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N 2IA 2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate) +Cc1ccccc1I 2IB 2-iodobenzyl group +CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl 2IC 5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid +CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O 2ID [(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate +CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IE 2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br 2IF ~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC 2IG 6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine +c1cn(cn1)CCCCCCn2ccnc2 2IH 1,1'-hexane-1,6-diylbis(1h-imidazole) +[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N 2IJ 5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N 2IK 6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine +CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC 2IL (3r)-3-(dodecanoyloxy)tetradecanoic acid +C1CCNC(=N)C1 2IM piperidin-2-imine +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N 2IN n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide +CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C 2IO (3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione +[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O 2IP d-myo-inositol-1,4-bisphosphate +Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C 2IR n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine +[H]/N=C(/CCC(=O)O)\C(=O)O 2IT (2z)-2-iminopentanedioic acid +Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 2IW 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide +CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C 2IX n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide +Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 2J0 (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3 2J1 6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O 2J2 (1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O 2J3 (2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O 2J4 (3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1cccnc1NCc2ccccc2O 2J5 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol +c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3 2J6 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol +c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O 2J7 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol +CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C 2J8 (4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione +c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3 2J9 4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO 2JA [(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid +CCNCC(=O)O 2JC n-ethylglycine +CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O 2JD (2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid +c1c(nc[nH]1)C(=O)SCCN 2JE s-(2-aminoethyl) 1h-imidazole-4-carbothioate +CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O 2JF (2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate +CCCCCC(=O)OC[C@@H](C=O)N 2JG (2s)-2-amino-3-oxopropyl hexanoate +C1CC(C1)C[C@@H](C(=O)O)N 2JH 3-cyclobutyl-l-alanine +CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O 2JI (5-ethyl-2-methyl-1h-indol-3-yl)acetic acid +C(C[C@H](C(=O)O)N)CP(=O)(O)O 2JJ 5-phosphono-d-norvaline +Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C 2JK 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O 2JL (2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid +c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br 2JM 2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CCCC[C@](C)(C(=O)O)N 2JN 2-methyl-d-norleucine +c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O 2JP 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid +Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F 2JQ 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid +c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5 2JR 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO 2JT 1,3-dihydroxypropan-2-yl octadecanoate +c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 2JU 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5 2JV n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O 2JW 1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3 2JX 5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O 2JY 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid +COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F 2JZ n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine +c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl 2K0 [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone +Cc1ccc(o1)C(=O)O 2K1 5-methylfuran-2-carboxylic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC 2K2 pkc412 +CC(C)CC(=O)CC(=O)O 2K3 3-oxo-5-methylhexanoic acid +c1cc2cn[nH]c2cc1O 2K4 1h-indazol-6-ol +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC 2K5 n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC 2K6 (3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile +Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC 2K7 n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O 2K8 (6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid +c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5 2K9 9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one +c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O 2KA 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C 2KB 4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile +CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N 2KC 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol +COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O 2KD 6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N 2KE (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N 2KF (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide +CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C 2KG (4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O 2KH 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC 2KJ n~5~-(n-ethoxycarbamimidoyl)-l-ornithine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F 2KK n~6~-(4-fluorobenzoyl)-l-lysine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4 2KL 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC 2KN n,n',n''-triethylbenzene-1,3,5-tricarboxamide +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC 2KO 2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br 2KP n~6~-(4-bromobenzoyl)-l-lysine +C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2KQ (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid +Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC 2KR n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine +c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3 2KS 1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine +CCC(=O)C(=O)O 2KT 2-ketobutyric acid +COCCCNc1c2c([nH]cn2)ncn1 2KU n-(3-methoxypropyl)-9h-purin-6-amine +c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN 2KV 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one +CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F 2KW 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile +c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O 2KX (1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate +C1CCC(C1)[C@@H](C(=O)O)N 2KY (2s)-amino(cyclopentyl)ethanoic acid +C(=C(\C(=O)O)/N)\C(=O)O 2KZ 2-amino maleic acid +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O 2L0 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide +Cc1c([nH]cn1)CN2CCc3ccccc3C2 2L1 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline +Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N 2L2 2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2L3 (2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O 2L4 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 2-chloro-l-phenylalanine +C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1 2L6 (3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid +CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br 2L7 4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O 2L8 [(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O 2L9 (3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid +c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN 2LA 2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O 2LB (2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4 2LC 2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +c1ccc(cc1)CCC2=CNC(=O)C(=C2)O 2LD 3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one +CCCCC[C@H]1CC[C@@H](O1)O 2LE (2r,5s)-5-pentyltetrahydrofuran-2-ol +C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O 2LF (6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate +CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl 2LG 2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O 2LI n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide +CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O 2LJ 1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl 2LK 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 2LL 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O 2LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid +CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1 2LN 1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC 2LO 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole +C=CCc1ccccc1O 2LP 2-allylphenol +c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2 2LQ 4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LR n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide +CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N 2LS (1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol +c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N 2LT 3,5-dichloro-l-tyrosine +CC(C)C[C@@H](C)N 2LU 2-amino-4-methyl-pentanyl group +CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 2LV n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide +CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1 2LW 1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone +CNC(=O)c1ccccc1OC2CCOCC2 2LX n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide +CNC(=O)c1c2c(cs1)OCCO2 2LY n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide +c1cc2c(cc1F)c(c[nH]2)CC(=O)O 2LZ (5-fluoro-1h-indol-3-yl)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)N 2M0 (3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2M1 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide +Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4 2M2 n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine +Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5 2M3 2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 2M4 2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O 2M5 methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside +C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O 2M7 (2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 2M8 (2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid +COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 2M9 8-methoxypyrene-1,3,6-trisulfonic acid +CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1 2MA 2-methyladenosine-5'-monophosphate +CC=C(C)C 2MB 2-methyl but-2-ene +CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 2MC methacrylyl-coenzyme a +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N 2MD guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +CCOC 2ME methoxyethane +CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 2MG 2n-methylguanosine-5'-monophosphate +CC1CCC(CC1)N 2MH cis-4-methylcyclohexanamine +Cc1cc2ccccc2[nH]1 2MI 2-methyl-1h-indole +CC(C)C[C@@H]([C@H](CO)O)N 2MJ (2r,3s)-3-amino-5-methylhexane-1,2-diol +CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 2MK n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide +CC(C)C[C@@](C)(C(=O)O)N 2ML 2-methylleucine +CN(C)[C@@H](CCSC)C(=O)O 2MM n,n-dimethyl-l-methionine +Cc1ncc(n1CCO)[N+](=O)[O-] 2MN metronidazole +O=[Mo]=O 2MO molybdenum (iv)oxide +Cc1ccc(cc1C)O 2MP 3,4-dimethylphenol +CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N 2MQ 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN/C(=N/C)/NCCC[C@@H](C(=O)O)N 2MR n3, n4-dimethylarginine +CC1(N[C@@H](CS1)C(=O)O)C 2MT (4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 2MU 2',5-dimethyluridine-5'-monophosphate +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O 2MV (1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O 2MX (2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name) +Cc1cccc(c1O)C 2MY 2,6-dimethylphenol +Cc1[nH]ccn1 2MZ 2-methylimidazole +CCc1cc2c(n1Cc3ccccc3)CCCC2=O 2N0 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one +c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O 2N2 2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid +CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F 2N5 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide +Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N 2N6 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC 2N7 (1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide +CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3 2N8 (2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide +CCOC(=O)c1cnc2ccccc2c1N 2N9 ethyl 4-aminoquinoline-3-carboxylate +c1ccc2cc(ccc2c1)CO 2NA naphthalen-2-ylmethanol +c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N 2NB 3-nitroquinolin-4-amine +CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C 2NC n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O 2ND 2'-deoxyinosine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O 2NE salicylyl coa +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N 2NF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate +Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O 2NG 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C 2NH n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine +CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO 2NI n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea +CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3 2NJ (4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F 2NK 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol +CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl 2NL 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide +COc1cccc(c1)c2cc([nH]n2)C(F)(F)F 2NM 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole +N(=O)[O] 2NO nitrogen dioxide +C=C(CCC[C@@H](C(=O)O)N)C(=O)O 2NP l-2-amino-6-methylene-pimelic acid +c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5 2NQ n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide +COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F 2NR 7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5 2NS 7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO 2NT 2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate +CN(C1CC1)C(=O)Cn2cc(cn2)Br 2NU 2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide +CCOCCOCCOCCOCCOC[C@@H](C)N 2NV 3,6,9,12,15-pentaoxaoctadecan-17-amine +c1ccc2c(c1)c(c(cn2)Br)N 2NW 3-bromoquinolin-4-amine +COP(=O)(NC(=O)c1ccccc1)OC 2NX dimethyl benzoylphosphoramidate +CCN(CC)c1nc2ccccc2c(n1)N 2NY n~2~,n~2~-diethylquinazoline-2,4-diamine +CC(=O)Cn1cnc2c1cccc2 2NZ 1-(1h-benzimidazol-1-yl)propan-2-one +c1ccc2c(c1)ncn2CCC(=O)N 2O0 3-(1h-benzimidazol-1-yl)propanamide +c1ccc2c(c1)c3c(cn2)C(=O)CCN3 2O1 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O 2O2 1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4 2O3 (3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC 2O4 (3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide +c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4 2O5 (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid +c1cc2c(cc1C(F)(F)F)c(no2)N 2O6 5-(trifluoromethyl)-1,2-benzoxazol-3-amine +c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N 2O7 7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile +c1cc(ccc1C(=O)N)SC(F)(F)F 2O8 4-[(trifluoromethyl)sulfanyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 2OA 2'deoxyadenosine-5'-triphosphate +CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C 2OB cholesteryl oleate +COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N 2OD 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine +Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O 2OE 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol +[OH2][Fe+2][OH2] 2OF ferrous ion, 2 waters coordinated +C(CC(=O)O)C(=O)C(=O)O 2OG 2-oxo-glutaric acid +CC(C)(c1ccc(cc1)O)c2ccc(cc2)O 2OH 4,4'-propane-2,2-diyldiphenol +CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C 2OJ n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide +Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC 2OK 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine +COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O 2OL 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol +C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O 2OM 5,6-dihydroorotidine 5'-monophosphate +c1[nH]c2c(n1)C(=O)NC(=N2)S 2ON 2-sulfanyl-1,9-dihydro-6h-purin-6-one +CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O 2OO 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol +C[C@@H](C(=O)O)O 2OP (2s)-2-hydroxypropanoic acid +Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O 2OQ 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol +C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N 2OR amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O 2OS 3-n-octanoylsucrose +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C 2OT 2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 2OU (2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O 2OV (1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC 2OW methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O 2OX (2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O 2OY n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form) +c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F 2OZ (2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O 2P0 1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F 2P1 n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide +CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O 2P2 1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one +c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3 2P3 5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione +c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P4 (5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4 2P5 4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide +c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N 2P6 (2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O 2P7 [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone +c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O 2P8 (2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide +c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 2P9 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +NP(=O)(N)O 2PA diamidophosphate +c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-] 2PB 2-[(dioxidophosphino)oxy]benzoate +C1CC(=[NH+]C1)C(=O)[O-] 2PC 3,4-dihydro-2h-pyrrolium-5-carboxylate +CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC 2PD 5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCO)O 2PE nonaethylene glycol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O 2PF [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate +C([C@H](C(=O)O)OP(=O)(O)O)O 2PG 2-phosphoglyceric acid +C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O 2PH [7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate +CCC[C@@H](C(=O)O)N 2PI 2-amino-pentanoic acid +CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F 2PJ tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1 2PK (5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one +C(C(=O)O)OP(=O)(O)O 2PL phosphoglycolic acid +CN(C)CCOC(c1ccccc1)c2ccccc2 2PM n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine +N(P(=O)(O)O)P(=O)(O)O 2PN imidodiphosphoric acid +[O-]P(=O)[O-] 2PO phosphonate +CCCC(CCC)C(=O)O 2PP 2-propyl-pentanoic acid +CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5 2PQ 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 2PR 2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N 2PS phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate +CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4 2PT 1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine +c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O 2PU 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea +[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1 2PV (5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one +CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S 2PW (5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N 2PX n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2 2PY (2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN 2PZ n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide +CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S 2Q0 (5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one +C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O 2Q2 l-galactonic acid +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O 2Q4 n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide +C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O 2Q5 (2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2Q6 methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate +C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N 2Q7 n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide +CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C 2Q8 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide +CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C 2Q9 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4 2QA 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +Cc1ncc(c(n1)N)CN=[N+]=[N-] 2QB 5-(azidomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1CN)c2csnn2 2QC 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine +CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QD (4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid +COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O 2QE (2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid +c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2QF n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide +c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl 2QG 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine +Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F 2QH (8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O 2QJ (2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C 2QK n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide +c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O 2QL (11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol +c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O 2QM n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I 2QN n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O 2QO (2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid +c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O 2QP n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O 2QQ n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O 2QR (2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I 2QS (2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name) +c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N 2QT n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide +c1cc(nc2c1ncnc2N)c3ccnc(c3)F 2QU 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine +c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N 2QV 6-(3-chlorophenyl)quinazolin-4-amine +Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N 2QW (2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide +COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N 2QX methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate +CN/C(=C\c1ccc(cc1)O)/C(=O)O 2QY (2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid +C[C@H]([C@@H](C(=O)O)N(C)C)O 2QZ n,n-dimethyl-l-threonine +C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO 2R1 (2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid +Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F 2R2 [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone +COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O 2R3 (betar)-beta-hydroxy-o-methyl-l-tyrosine +c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 2R4 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4 2R5 n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4 2R6 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I 2R7 n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C 2R8 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C 2R9 n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +C([C@H](C(=O)O)N)N 2RA 3-amino-d-alanine +COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 2RB n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide +CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C 2RC [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate +CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O 2RD 5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O 2RE 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O 2RF 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 2RG (2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)C[C@H](C(=O)O)O 2RH (2r)-2-hydroxy-4-methylpentanoic acid +C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O 2RI (2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide +Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RJ 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine +C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 2RK 4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl 2RL n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide +c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F 2RM n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O 2RN 3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol +CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O 2RO 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCC[C@@H](C)O 2RP (2r)-pentan-2-ol +COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F 2RQ 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine +c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N 2RR 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile +Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C 2RS 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C 2RT 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile +CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F 2RU 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea +CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F 2RV 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N 2RW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C([C@@H](C(=O)O)N)OP(=O)(O)S 2RX o-thiophosphono-l-serine +c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F 2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone +[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC 2RZ n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide +CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C 2S0 [(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate +COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O 2S1 2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide +CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S2 (2s)-2-(1h-indol-3-yl)hexanoic acid +CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S3 (2s)-2-(1h-indol-3-yl)pentanoic acid +[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC 2S4 2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S6 4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S7 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile +CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O 2S8 (2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid +c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2S9 4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O 2SA 2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid +c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N 2SB (2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide +c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4 2SC (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol +c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O 2SE 4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide +c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N 2SF 4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N 2SG guanosine phosphorodithioate +c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F 2SH n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O 2SI 2-o-sulfo-a-l-iduronic acid +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC 2SJ n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2 2SK (1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol +CCC[C@H](C)O 2SL (2s)-pentan-2-ol +Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC 2SM methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N 2SN 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine +c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O 2SO 3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 2SP (1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate +Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C 2SQ (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid +Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC 2SR (2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol +C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 2SS (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C 2ST 5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N 2SU alpha-(fluoromethyl)-d-tryptophan +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2SW [(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid +c1cc2c(cc1Br)c(c[nH]2)CC(=O)O 2SX (5-bromo-1h-indol-3-yl)acetic acid +c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O 2SY [1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid +CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO 2SZ 6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide +c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2 2T0 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate +c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F 2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid +C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O 2T2 [1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid +c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O 2T3 (2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2 2T4 {[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2 2T5 [(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid +c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O 2T6 {[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid +COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-] 2T7 [1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl 2T8 carbonyl(tetrachloro)oxidoiridium +COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-] 2T9 [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid +Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 2TA n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide +C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+] 2TB 1,3-diamino-4,5,6-trihydroxy-cyclohexane +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C 2TC (4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile +CC(=O)CCCCCCCCCC=C 2TD tridec-12-en-2-one +CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2TE (2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol +CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N 2TF (2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N 2TG 5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine +c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl 2TH 2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C 2TI (2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N 2TJ 4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br 2TK 2-(2-bromophenoxy)-5-hexylphenol +C[C@H]([C@H](C(=O)O)N)O 2TL d-allothreonine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O 2TM 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +CC(C)NCC(COc1ccc(cc1)CC(=O)N)O 2TN 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide +c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O 2TO 2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol +Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O 2TP 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate +C1C[C@H](N2[C@@H]1CC2=O)C(=O)O 2TQ (2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N 2TR 6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 2TS (2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide +c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl 2TT 2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 2TU 1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O 2TV (2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl 2TW [(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C 2TX (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane +c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N 2TY 2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2TZ [(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O 2U0 (2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid +C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U1 6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O 2U2 (2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid +CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O 2U3 (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O 2U4 (4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O 2U5 6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid +C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O 2U6 6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid +CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl 2U7 [(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid +Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O 2U8 mavoglurant +Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3 2U9 n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N 2UA (3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one +c1cc(ccc1/C=C(\C(=O)O)/S)Cl 2UB (z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid +[H]/N=C(\N)/NCc1cccc(c1)CC=O 2UC 1-[3-(2-oxoethyl)benzyl]guanidine +c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O 2UD 3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid +[H]/N=C(/N)\NCc1ccc(cc1)CC=O 2UE 1-[4-(2-oxoethyl)benzyl]guanidine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O 2UF l-gulonate +c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N 2UG 4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine +CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1 2UH n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) +C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2UI (3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1 2UJ n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) +CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1 2UK 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O 2UL 3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid +COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC 2UN {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid +CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O 2UO mevastatin, compactin +[H]/N=C(\c1ccc2ccccc2c1)/N 2UP naphthalene-2-carboximidamide +[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2 2UQ n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide +C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F 2UR (2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O 2US (2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O 2UT (2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O 2UU 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid +CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O 2UV 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid +C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O 2UW (2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O 2UX (2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol +C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O 2UY (2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol +C1C=C(NC(S1)C(C(=O)O)N)C(=O)O 2UZ (2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O 2V0 (2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6 2V1 4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide +Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C 2V2 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea +CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 2V3 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O 2V4 rabelomycin +[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 2V5 n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F 2V6 n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O 2V7 (1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol +Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O 2V8 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O 2V9 lestaurtinib +CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 2VA 2'-(l-valyl)amino-2'-deoxyadenosine +[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C 2VC n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VD (2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O 2VE (2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O 2VF (2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O 2VG (2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N 2VH (2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O 2VJ 2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid +c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O 2VK 4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile +Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C 2VL n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br 2VM (2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid +CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 2VN 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 2VO phytochromobilin, bound form +Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VP (2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-] 2VQ n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide +Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 2VR (2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +C(=C/C=O)\C=C(\C(=O)O)/O 2VS (2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N 2VT n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide +c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VU n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VV n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5 2VW n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F 2VX n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +Cc1c(csc1C=O)Cc2cnc(nc2N)C 2VY 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde +Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2VZ (2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C 2W0 (2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5 2W1 1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O 2W2 n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid +CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O 2W3 2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide +c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6 2W4 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC 2W5 (1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide +CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C 2W6 n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S 2W7 n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide +c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O 2W8 3-(3'-nitrobiphenyl-3-yl)propanoic acid +c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O 2W9 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid +CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O 2WA (1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol +c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] 2WB {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid +Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 2WC 3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid +CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O 2WD (1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol +COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WE 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4 2WF n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide +COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N 2WG 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide +CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC 2WH 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea +Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N 2WI 6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide +CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3 2WJ n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC 2WK n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl 2WL (1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O 2WM (1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F 2WN 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate +C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N 2WP s-ribosylhomocysteine +C#CCNC(=O)c1ccc(cc1OCC(=O)O)F 2WQ [5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid +c1cc(c(cc1F)OCC(=O)O)C(=O)N 2WR (2-carbamoyl-5-fluorophenoxy)acetic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O 2WS beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose +Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O 2WT 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N 2WU 6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 2WV (3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol +CC(C)C[C@@H](N)P(=O)(O)O 2WW [(1s)-1-amino-3-methylbutyl]phosphonic acid +c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WX n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5 2WY n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O 2WZ n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +c1ccc(cc1)CC[C@H](N)P(=O)(O)O 2X0 [(1r)-1-amino-3-phenylpropyl]phosphonic acid +[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N 2X1 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide +C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 2X3 (8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2 2X4 (4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2 2X5 (4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine +c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O 2X6 7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one +[H]/N=C/1\C=CC=COC1=O 2X7 (3e)-3-iminooxepin-2(3h)-one +Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F 2X9 {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid +c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N 2XA (2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid +c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 2XB n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid +c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O 2XC (2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one +c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O 2XD (2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one +c1cc(ccc1S)Br 2XE 4-bromobenzenethiol +CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3 2XF tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate +c1cc(c(cc1S)F)F 2XG 3,4-difluorobenzenethiol +c1ccc2c(c1)cccc2S 2XH naphthalene-1-thiol +C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O 2XI (2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide +CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N 2XJ 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol +COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N 2XK 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile +CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N 2XL 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N 2XM 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) +Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2XN n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide +c1ccc2c(c1)[nH]c(n2)CS 2XO 1h-benzimidazol-2-ylmethanethiol +[H]/N=C(/C/C=C\C=O)\C(=O)O 2XP (2z,4z)-2-imino-6-oxohex-4-enoic acid +Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F 2XQ 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine +c1ccc2c(c1)c(c[nH]2)C(=O)CCl 2XR 2-chloro-1-(1h-indol-3-yl)ethanone +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 2XS 4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C 2XT propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C 2XU propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O 2XW prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside +CC[C@@H]1C(=O)C(=C(O1)C)O 2XX (2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2 2XY n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine +CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N 2XZ 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol +CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N 2Y0 n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide +CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y1 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3 2Y2 n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC 2Y3 n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3 2Y4 n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC 2Y5 (2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O 2Y6 n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N 2Y7 (s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N 2Y8 (r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine +CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3 2Y9 (3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide +C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-] 2YA 4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline +Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C 2YB [(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid +C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N 2YC n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C 2YD (5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one +CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2 2YE 2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide +C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N 2YF n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine +C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N 2YG n~6~-l-lysyl-l-lysine +C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN 2YH n~5~-d-ornithyl-l-ornithine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br 2YI methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate +C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N 2YJ n~5~-d-lysyl-l-ornithine +Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC 2YK 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine +c1ccc(cc1)C2=NC(=O)NC(=N2)N 2YL 6-amino-4-phenyl-1,3,5-triazin-2(1h)-one +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N 2YM 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O 2YN (1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O 2YO 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C 2YP (2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid +Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F 2YQ (8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O 2YR 2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N 2YS d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide +[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N 2YT l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide +CC1=CC(=S)N(C=C1)O 2YU 1-hydroxy-4-methylpyridine-2(1h)-thione +c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YV 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N 2YW methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N 2YX 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O 2YY 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F 2YZ [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl 2Z0 n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide + 2Z3 n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide +CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC 2Z4 benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate + 2Z5 6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide +c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N 2ZC o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine +C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O 2ZE (3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol + 2ZF n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide +Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F 2ZI 8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO 2ZL n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1cc2c(cc1[N+](=O)[O-])nc[nH]2 2ZM 5-nitro-1h-benzimidazole +C[N+](C)(C)CCCC=O 2ZO n,n,n-trimethyl-4-oxobutan-1-aminium +c1cc2cccnc2c(c1)[N+](=O)[O-] 2ZQ 8-nitroquinoline +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O 2ZS n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide +c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 2ZT 2-[(quinolin-7-yloxy)methyl]quinoline +Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3 2ZU 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline +Cc1ccnc(c1[N+](=O)[O-])N 2ZV 4-methyl-3-nitropyridin-2-amine +Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C 2ZW 3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide +c1c(nc(nc1Cl)N)N 2ZX 6-chloropyrimidine-2,4-diamine +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F 2ZY (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one +CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C 2ZZ (5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1OP(=O)(O)O)C=O 300 2-formyl-6-methoxyphenyl dihydrogen phosphate +C\C=C/C\C=N\c1c2c([nH]cn2)ncn1 301 n6-(penta-2,3-dienyl)adenine +c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O 302 4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 303 6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide +CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC 304 n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6 306 3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one +Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F 307 6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one +C1C2CC3CC1CC(C2)(C3)N 308 (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl 30A 6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid +Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC 30B (2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide +CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 30E (3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid +C(=C(/C(=O)O)\N)\[SeH] 30F (2z)-2-amino-3-selanylprop-2-enoic acid +c1ccc2c(c1)N3CC(=O)NN=C3CO2 30G 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO 30H n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N 30I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl 30J 6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile +CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3 30K (3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F 30L {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O 30M n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O 30N (3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO 30O n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO 30P n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C 30Q s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name) +Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO 30R n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O 30S 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5 30T trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol +c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N 30U 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N 30V s-[(2-carbamoylphenyl)selanyl]-l-cysteine +CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1 30W n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide +C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N 30X n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide +C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O 30Z 4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C 310 n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide +Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C 311 (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone +COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-] 312 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate +CS(C)CC(=O)O 313 (dimethyl-lambda~4~-sulfanyl)acetic acid +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C 314 n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 315 (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C 316 n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N 317 (2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C 318 n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F 319 n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3 31A n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O 31B benzoyl-oxydephosphocoenzyme a +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O 31D 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid +c1cc(oc1)C/N=C\S 31E (z)-[(furan-2-ylmethyl)imino]methanethiol +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N 31F 4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N 31G 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid +CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O 31H 3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate) +CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 31I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one +Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O 31J 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one +Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C 31K 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol +Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3 31L 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol +CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N 31M 3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate) +COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O 31N 6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 31O methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 31P methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N 31Q (4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O 31R 3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid +c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl 31S (2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O 31T 4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N 31U d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6 31V n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide +c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F 31W 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea +c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6 31X 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid +c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5 31Y n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 31Z 2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F 320 2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C 321 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide +CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O 322 [(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O 323 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F 324 n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide +CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F 325 n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide +Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 326 2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid +[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC 327 (3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine +COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile +C[C@H]1CN=C(c2c(ccs2)O1)N 329 (2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC 32A 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide +CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C 32B 2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32C 2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5 32D (1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O 32E 2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O 32F 2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid +c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 32G (3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br 32H 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N 32I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O 32J 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O 32K 2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid +CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O 32L ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate +CCCCCCCCOCCOCCOCCOCCOCCOCCO 32M 3,6,9,12,15,18-hexaoxahexacosan-1-ol +C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O 32O beta-l-ribofuranose +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN 32P 3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O 32Q (2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O 32R (2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N 32S (s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid +c1csc2c1[nH]cc2C[C@@H](C(=O)O)N 32T (s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N 32U d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide +CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3 32V 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one +COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4 32W n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide +c1cc2c(c(c1)N)CC=NC2=O 32X 5-aminoisoquinolin-1(4h)-one +c1cc2c(c(c1N)I)C=CC(=O)O2 32Y 6-amino-5-iodo-2h-chromen-2-one +c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O 32Z 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one +COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O 330 9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F 331 (2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid +c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2 332 (3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine +c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5 333 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine +Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 334 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate +c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4 335 [4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid +c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl 336 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide +Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C 337 n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide +c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O 338 2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol +CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br 339 (s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide +c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl 33A n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide +c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl 33B 3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O 33C 4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +CC(C)(C)CCO 33D 3,3-dimethylbutan-1-ol +c1cc(c(cc1C(=O)N)[N+](=O)[O-])I 33E 4-iodo-3-nitrobenzamide +CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F 33F n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N 33G (4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O 33H 3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N 33I 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4 33J 3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid +c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O 33K n-benzyl-n-(carboxymethyl)glycyl-l-histidine +c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2 33L n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide +CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N 33M n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3 33N n-(3,3-diphenylpropyl)pyridine-3-carboxamide +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 33O 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O 33P {3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O 33R (2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S 3-iodo-l-phenylalanine +C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F 33T 3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N 33U beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO 33V (3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid +c1cc(sc1C[C@@H](C(=O)O)N)Br 33W 3-(5-bromothiophen-2-yl)-l-alanine +C[C@H](C(=O)O)NC 33X n-methyl-d-alanine +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 33Y 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O 33Z (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3 340 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione +c1c(cc(cc1F)F)CO 341 (3,5-difluorophenyl)methanol +c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5 342 (3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O 343 (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid +c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N 344 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO 345 4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N 346 (r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid +CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO 347 tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N 348 4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5 349 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1C)N 34A 3,4-dimethylaniline +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C 34B 2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine +CCCOc1ccc(cc1Cl)CC(=O)O 34C (3-chloro-4-propoxy-phenyl)-acetic acid +c1c(cc(cc1O)O)C(=O)O 34D 3,5-dihydroxybenzoate +C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC 34E (3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine +c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl 34F (1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid +CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC 34G emetine +c1cc(ccc1C[C@H](C(=O)O)O)O 34H (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4 34I n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N 34J (2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid +c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O 34K (2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2 34L (8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC 34M 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole +CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F 34N 4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide +COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4 34O 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole +[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 34P n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide +c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4 34Q (3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34R (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N 34S (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one +C[C@@H]1Cc2cccc(c2NC1)S(=O)=O 34T (3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline +COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N 34U 1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine +C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O 34V beta-l-ribulofuranose +CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F 34W n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide +c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F 34X 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 34Y 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide +c1cc(c(cc1C(=O)O)Cl)Cl 34Z 3,4-dichlorobenzoate +c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN 351 1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea +C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O 352 (5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one +CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N 353 n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O 354 n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid +CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6 355 trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C 356 8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione +CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C 357 5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl 358 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N 359 3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid +C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N 35A n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide +CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3 35B 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid +c1c(cc(c(c1O)O)Cl)Cl 35C 3,5-dichlorobenzene-1,2-diol +CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5 35D 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone +c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO 35E [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol +c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5 35F n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N 35G guanosine-3',5'-monophosphate +CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3 35H n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N 35I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one +c1cc(cnc1)CNC=S 35J n-(pyridin-3-ylmethyl)thioformamide +c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2 35K (2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid +c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O 35M 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4 35N copper(ii) tetrapyrrole +C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4 35O n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C 35P (2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5 35Q n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea +CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl 35S {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O 35T {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid +COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O 35V 4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol +c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5 35W 7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4 35X 7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine +C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1 35Y 3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine +COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O 35Z 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one +c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F 361 (7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine +c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4 362 2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine +c1c[nH]c2c1nc(cn2)c3c[nH]nc3 363 2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine +c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O 364 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O 365 [(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N 367 3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate +[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3 368 (1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate +Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O 369 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol +c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O 36A (s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F 36C 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O 36D n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline +c1ccc2c(c1)[nH]c(n2)C(F)(F)F 36E 2-(trifluoromethyl)-1h-benzimidazole +Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 36F 5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one +COc1ccccc1NC(=O)N2CCCc3c2cccc3 36G n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide +Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO 36H 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol +c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4 36I 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine +C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O 36J (3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC 36K 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea +Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC 36L (1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione +CCCOC(=O)c1ccc(cc1)O 36M propyl 4-hydroxybenzoate +c1c[nH]c2c1nccn2 36N 5h-pyrrolo[2,3-b]pyrazine +c1[nH]c2c(n1)c(ncn2)NC3CCCCC3 36O n-cyclohexyl-9h-purin-6-amine +c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4 36P 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone +c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2 36Q (2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol +c1cc2c(cc1Cl)nc(o2)N 36R 5-chloro-1,3-benzoxazol-2-amine +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl 36S 2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine +c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl 36U (5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one +c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-] 36V trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione +CN1C2=C(CCC2)C(=N)C3=C1CCC3 36X 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine +c1cc(ccc1c2c[nH]cn2)Br 36Y 4-(4-bromophenyl)-1h-imidazole +Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC 36Z methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate +Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 370 4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O 371 2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one +CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N 372 n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide +c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN 373 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one +C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC 374 (2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone +c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 376 n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C 377 memantine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 378 methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O 379 3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid +c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO 37A (1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O 37B (2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +Cc1c(c([nH]n1)c2ccco2)C(=O)OC 37D methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate +C1CCC(CC1)NC[C@H](N)P(=O)(O)O 37E [(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid +CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4 37F n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O 37G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid +[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 37H (5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N 37I 4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F 37J 2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6 37K (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC 37L (3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9 37M 2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O 37N 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid +CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC 37O n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide +c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O 37P 5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine +C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4 37Q n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide +c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O 37R 5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide +Cn1cnc2c1C(=O)NC(=O)N2C 37T theobromine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N 37U d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide +c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F 37V {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid +Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C 37W 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid +CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O 37X octyl glucose neopentyl glycol +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 37Y n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +C(CCNCCCCN)CN 37Z sym-homospermidine +COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N 380 (2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide +C1CCC(CC1)CP(=O)(CCCN)O 381 (s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid +c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5 382 (r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O 383 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid +COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC 384 (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6 385 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate +c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F 386 n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide +c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 387 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br 388 (2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N 389 l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide +Cc1c(c(c(c(c1CO)C)CO)C)CO 38A (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol +CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1 38B 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one +COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O 38C 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O 38D n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide +CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C 38E (5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O 38F (2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol +CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O 38G 4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid +[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O 38I {(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O 38J alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N 38K 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid +c1cc(c(c(c1)O)[N+](=O)[O-])O 38L 2-nitrobenzene-1,3-diol +CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl 38M 3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one +C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 38N n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N 38O 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4 38P 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N 38Q 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4 38R [4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO 38S 1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 38T 5-methyluridine +CC1=C(Cc2c1cccc2)C(=O)O 38U 3-methyl-1h-indene-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N 38V [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5 38W n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO 38X n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC 38Y 3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7 38Z (3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F 390 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide +Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5 391 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine +c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O 392 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea +c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl 393 (5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid +CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 394 r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 395 s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl 396 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide +c1cc(ccc1c2cc3cc(ccc3o2)O)O 397 2-(4-hydroxy-phenyl)benzofuran-5-ol +CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl 398 n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide +Cn1cnc2c1[n+](cnc2N)C 39A 6-amino-3,9-dimethyl-9h-purin-3-ium +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C 39B (s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N 39C (2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN 39D 4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide +[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C 39E (r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN 39F trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide +CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C 39G n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide +CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5 39H 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide +c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5 39I ~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine +CC[C@@H](C(=O)O)Cl 39J (2s)-2-chlorobutanoic acid +CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3 39K n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide +c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O 39L [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 39N beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +Cc1cc2c(cc1N)N(C(=O)N2C)C 39O 5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one +CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4 39P 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3 39Q n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide +c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N 39R 3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 39S n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid +CC1(Cc2c(sc(n2)N)C(=O)NC1)C 39U 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one +CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO 39V n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide +CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C 39W (2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O 39X 3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine +CC[C@H](C)C/C=C/C(=O)O 39Y (2e,5s)-5-methylhept-2-enoic acid +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O 39Z 5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one +C[C@H]1CCN[C@@H](C1)C(=O)O 3A0 (2s,4s)-4-methylpiperidine-2-carboxylic acid +C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O 3A1 n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine +CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O 3A2 1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine +c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O 3A3 2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3A4 (2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O 3A5 (2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl +Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N 3A6 3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide +c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br 3A7 (2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O 3A8 (4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one +c1cc2c(cc1C(=O)O)CCO2 3A9 2,3-dihydro-1-benzofuran-5-carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N 3AA 3-aminopyridine-adenine dinucleotide phosphate +c1cc(cc(c1)N)C(=O)N 3AB 3-aminobenzamide +CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C 3AC (2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N 3AD 3'-deoxyadenosine +c1cc(ccc1C(=O)O)C(F)(F)F 3AE 4-(trifluoromethyl)benzoic acid +CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N 3AF 2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan +CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C 3AG 2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N 3AH [histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N 3AI n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C 3AJ 1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile +c1ccc(cc1)CN2c3ccccc3C(=O)C2=O 3AK 1-benzyl-1h-indole-2,3-dione +[C@H]1(C(=O)NC(=O)N1)NC(=O)N 3AL 1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N 3AM [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N 3AN 3'-deoxy 3'-amino adenosine-5'-diphosphate +CC(=O)c1cccc(c1)N 3AO 1-(3-aminophenyl)ethanone +c1cc(c[nH+]c1)N 3AP 3-aminopyridine +c1cc(ccc1CC#N)O 3AQ (4-hydroxyphenyl)acetonitrile +CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N 3AR n-omega-propyl-l-arginine +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O 3AS (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N 3AT 3'-deoxyadenosine-5'-triphosphate +C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3AU 3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) +Cc1ccc2c(c1)C=CC(=O)O2 3AV 6-methyl-2h-chromen-2-one +Cc1nc(nc(n1)N)N 3AW 6-methyl-1,3,5-triazine-2,4-diamine +c1cn[nH]c1N 3AX 1h-pyrazol-5-amine +c1c(nc(nc1N)N)N 3AY pyrimidine-2,4,6-triamine +c1cc(cc(c1)C(=O)O)CN 3AZ 3-(aminomethyl)benzoic acid +c1cc(ncc1C(F)(F)F)N 3B0 5-(trifluoromethyl)pyridin-2-amine +c1ccc(cc1)[C@H](C#N)N2CCOCC2 3B1 (2r)-morpholin-4-yl(phenyl)ethanenitrile +Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 3B2 (14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate +c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-] 3B3 (2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol +c1ccc(c(c1)C(=O)O)NC2CCCCC2 3B4 2-(cyclohexylamino)benzoic acid +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C 3B5 aik-18/51 +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O 3B6 (2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O 3B7 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N 3B8 2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide +CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N 3B9 n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3 3BA 7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide +C=C(CCO)Br 3BB 3-bromobut-3-en-1-ol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C 3BC tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate +CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4 3BD 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 3BE 3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C 3BF thiazotropsin b +Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC 3BG 1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone +c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 3BH (2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O 3BI (2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid +c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl 3BJ n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine +c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl 3BK (2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3BL (2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 3BM 2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide +CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C 3BN 3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide +c1ccc2c(c1)c(c[nH]2)CC#N 3BO 1h-indol-3-ylacetonitrile +CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N 3BP 2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide) +c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN 3BQ 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea +CCCBr 3BR 1-bromopropane +CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C 3BS 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide +[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N 3BT 2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O 3BU l-allose +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O 3BV n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO 3BW 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide +c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO 3BX n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide +CN1CCC[C@H]1C(=O)O 3BY 1-methyl-l-proline +c1cc(cc(c1)Cl)C(=O)O 3BZ 3-chlorobenzoate +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C 3C0 n-methyl scopolamine +CCN1CNS(=O)(=O)c2c1ccnc2 3C1 4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide +CCN1CNS(=O)(=O)c2c1cccn2 3C2 4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide +CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N 3C3 4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine) +c1cc(c(cc1CC(=O)O)Cl)O 3C4 (3-chloro-4-hydroxyphenyl)acetic acid +CNCc1cccc(c1)c2cccnc2 3C5 n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine +c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N 3C6 n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide +C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O 3C7 (3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N 3C8 6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine +CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3 3C9 1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea +c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O 3CA 2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid +CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O 3CB n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide +CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N 3CC n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl 3CD 3-(chloroacetyl) pyridine adenine dinucleotide +c1cc(c(c(c1)Cl)O)O 3CE 3-chlorobenzene-1,2-diol +c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N 3CF 3-cyano-l-phenylalanine +c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O 3CG (2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid +c1cc(cc(c1)Cl)O 3CH 3-chlorophenol +CCCC1=CC(=O)NC(=S)N1 3CJ 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O 3CK beta-d-tagatofuranosyl alpha-d-glucopyranoside +C(CO)CCl 3CL 3-chloropropanol +C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 3CM 3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCCN 3CN 3-aminopropane +[Co+3] 3CO cobalt (iii) ion +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O 3CP 3-carboxypropyl-coenzyme a +CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)C/C(=N\O)/C(=O)O 3CR (2e)-2-(hydroxyimino)-3-phenylpropanoic acid +CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4 3CS 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O 3CT 3-chloro-l-tyrosine +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O 3CU casuarine +Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl 3CW [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol +C1CCC(CC1)NCC(CS(=O)(=O)O)O 3CX (2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4 3CY (3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-] 3CZ (2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine +C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O 3D0 n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N 3D1 (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N 3D2 n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide +c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N 3D3 2-[(6-amino-7h-purin-8-yl)thio]acetamide +C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O 3D4 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide +c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N 3D5 n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide +c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N 3D6 n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide +Cn1cc(cn1)C2=CNC(=O)C(=C2)N 3D7 3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one +c1cc(cnc1)Nc2c3cccn3ncn2 3D8 n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4 3D9 6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N 3DA 3'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N 3DB 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4 3DC 6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N 3DD (2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid +CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C 3DE 3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N 3DG 9-(3-deoxy-beta-d-ribofuranosyl)guanine +CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 3DH 5'-s-ethyl-5'-thioadenosine +c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N 3DJ (2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid +Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F 3DK 3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O 3DL 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +COc1cccc(c1O)OC 3DM 2,6-dimethoxyphenol +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C 3DN 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one +C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3DO 3-deoxy-beta-d-glucopyranose +CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] 3DP 3-(n,n-dimethyloctylammonio)propanesulfonate +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 3DQ (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +C1CO[C@@H]([C@H]1O)COP(=O)(O)O 3DR 1',2'-dideoxyribofuranose-5'-phosphate +C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O 3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O 3DT 3-methylthymidine +C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3DU 4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one +c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N 3DV 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O 3DW 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid +CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3DX 3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O 3DY 3,6-anhydro-beta-l-galactopyranose +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O 3DZ (2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid +COc1c(cccc1F)c2csc(n2)N3CCOCC3 3E0 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine +CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O 3E1 n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide +c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O 3E2 (3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O 3E3 (2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl 3E4 n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide +Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O 3E5 n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O 3E6 rebaudioside a2 +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5 3E7 1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide +CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N 3E8 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile +C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 3E9 (3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O 3EA 2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid +c1cc(cc(c1)C(=O)O)CCC(=O)O 3EB 3-(2-carboxyethyl)benzoic acid +c1cc(oc1CSCCN)C=O 3EC 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde +C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N 3ED 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N 3EE 4-(2-aminophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3EF n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine +C([C@@H](C(=O)O)N)C(F)(F)F 3EG (2s)-2-amino-4,4,4-trifluorobutanoic acid +CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC 3EH 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate +c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O 3EJ 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid +Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O 3EK trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N 3EL n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide +CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O 3EM n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N 3EN n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide +CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C 3EO (4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide +CCP(CC)CC 3EP triethylphosphane +CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O 3EQ [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid +CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O 3ER (2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid +c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O 3ES [(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl) +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O 3ET o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine +c1c(cc(cc1Cl)Cl)CC(=O)O 3EU (3,5-dichlorophenyl)acetic acid +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C 3EV (1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO 3EX 3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide +c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO 3EY 8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6 3EZ n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +c1cc(c(c(c1)F)N)C(=O)O 3F0 2-azanyl-3-fluoranyl-benzoic acid +Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3 3F1 n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6 3F2 n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide +COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 3F3 4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O 3F4 2-(4-hydroxyphenyl)-3h-quinazolin-4-one +CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N 3F5 5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine +c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7 3F6 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole] +c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O 3F7 1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione) +C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O 3F8 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione) +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 3F9 n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide +c1cc(c(c(c1)F)O)O 3FA 3-fluorobenzene-1,2-diol +c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB (3s)-3-amino-4-phenylbutanoic acid +CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C 3FC (1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate +c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N 3FD 4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N 3FE 3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile +c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O 3FF 2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one +c1c(cc(cc1O)O)[C@@H](C(=O)O)N 3FG (2s)-amino(3,5-dihydroxyphenyl)ethanoic acid +C1=CN(C(=S)C(=C1)C(F)(F)F)O 3FH 1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione +c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2 3FI 3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid +CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O 3FK (2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid +c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2 3FL 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O 3FM 3-o-carbamoyl-alpha-d-mannopyranose +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F 3FN 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C 3FO n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O 3FP (2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O 3FQ (2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5 3FR 3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide +[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl 3FS n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide +c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O 3FT 2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C 3FU n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide +c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl 3FV 4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide +[H]/N=C\c1nccc(n1)CN 3FW 1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine +C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O 3FX (2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid +Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C 3FY n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide +[H]/N=C(\c1cccc(c1)C=O)/N 3FZ 3-formylbenzenecarboximidamide +C(#N)[Pt-2](C#N)(C#N)C#N 3G0 tetracyanoplatinate(ii) +c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O 3G1 2-[(s)-benzylsulfinyl]benzoic acid +c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3 3G3 2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione +CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl 3G4 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O 3G6 (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O 3G7 (3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3 3G8 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl 3G9 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone +[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N 3GA (3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GB n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N 3GC gamma-glutamylcysteine +CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 3GD n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide +CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O 3GE (2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid +CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5 3GF 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3 3GG 1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 3GH n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl 3GJ n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide +c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4 3GK n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide +C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O 3GL (2s,4s)-2-amino-4-hydroxy-pentanedioic acid +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN 3GM (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 3GN 2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N 3GO 4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N 3GP guanosine-3'-monophosphate +c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O 3GQ benzene-1,2,3-tricarboxylic acid +C([C@H](C=O)O)O 3GR d-glyceraldehyde +COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2 3GS dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O 3GT (3beta,4beta,5beta,10beta,11e,13e)-maytansine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4 3GU n6-cyclopentyladenosine +c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O 3GV (3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O 3GW 5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate +CN1CCCC2=C1C=C(NC2=O)c3ccccc3 3GX 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one +CC[C@@H](C)c1ccccc1 3GY (2r)-butan-2-ylbenzene +CCCCCCc1ccccc1 3GZ hexylbenzene +CCCc1ccccc1 3H0 propylbenzene +Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O 3H1 3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde +CCCCCc1ccccc1 3H2 pentylbenzene +C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C 3H3 4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione +C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N 3H4 (1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate +Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2 3H5 n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F 3H6 n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +c1c(cc2c(c1F)nc(s2)N)F 3H7 4,6-difluoro-1,3-benzothiazol-2-amine +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl 3H8 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 3H9 (s)-3-hydroxyhexanoyl-coa +c1cc(c(c(c1)O)N)C(=O)O 3HA 3-hydroxyanthranilic acid +c1cc(cc(c1)O)C(=O)O 3HB 3-hydroxybenzoic acid +CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O 3HC 3-hydroxybutanoyl-coenzyme a +CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O 3HD 1,5-anhydro-3-o-methyl-d-mannitol +C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C 3HE 4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione +CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O 3HF n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide +C(C(CC(=O)O)O)C(=O)O 3HG 3-hydroxypentanedioic acid +CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O 3HH n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O 3HI (3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 3HJ n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide +COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N 3HK 4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile +C[C@@H](CC(=O)O)O 3HL (3s)-3-hydroxybutanoic acid +Cc1c(cc(cn1)C(=O)O)O 3HM 5-hydroxy-6-methylpyridine-3-carboxylic acid +Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F 3HN 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +CCCCC[C@@H](CC(=O)O)O 3HO (3s)-3-hydroxyoctanoic acid +c1cc(cc(c1)O)CC(=O)O 3HP 3-hydroxyphenylacetate +Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C 3HQ 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide +C[C@H](CC(=O)O)O 3HR (3r)-3-hydroxybutanoic acid +c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HS 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4 3HT 5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione +c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O 3HU (s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione +c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O 3HV 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O 3HW 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-] 3HX (4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine +c1cc(cc(c1)O)CO 3HY 3-(hydroxymethyl)phenol +CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3HZ 5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O 3I0 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid +CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F 3I3 4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine +C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br 3I6 4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide +c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3 3I7 3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium +c1ccc2c(c1)c(c[nH]2)CCCC(=O)O 3IB 3-indolebutyric acid +c1c[nH]c2c1cc(c(c2)O)O 3ID 3h-indole-5,6-diol +C[C@@H](COC)N 3IE (2~{s})-1-methoxypropan-2-amine +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5 3IF n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C 3IG n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide +Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3 3IH n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl 3II n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide +C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N 3IK (2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O 3IL 3-(indol-3-yl) lactate +C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O 3IN n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide +c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O 3IO 3-(1h-indol-3-yl)-2-oxopropanoic acid +c1ccc(cc1)COc2cccnc2N 3IP 3-(benzyloxy)pyridin-2-amine +c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 3IR (1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide +c1cc2c(cc1Cl)CC(=O)N2 3IS 5-chloranyl-1,3-dihydroindol-2-one +CC(=C)C1=C(C(=O)C=CC=C1)O 3IT 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one +CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5 3IU n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3IX s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N 3IZ (2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine +c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O 3J0 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid +Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO 3J1 8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one +CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O 3J2 nagilactone c +C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 3J3 (1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol +C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O 3J4 (6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol +Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C 3J5 2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one +CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO 3J6 (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N 3J7 n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine +CN1c2ccccc2N=C3C1=CC=CC3=O 3J8 5-methylphenazin-1(5h)-one +C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3J9 (4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4 3JA 5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N 3JB 3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile +Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3 3JC (7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one +c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4 3JD 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide +c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 3JE triphenyl(phenylethynyl)phosphonium +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JF n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O 3JG (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O 3JH n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O 3JI 3-(4-phenylbutanamido)pyridine-4-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O 3JJ n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JK (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide +c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O 3JL 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O 3JM 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid +c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O 3JN 3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O 3JO n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC 3JP (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O 3JQ (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O 3JR (1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O 3JS (4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O 3JT (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JU (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O 3JV (4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3 3JW baricitinib +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3JX 4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O 3JY [(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid +CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C 3JZ n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N 3K0 n-sulfamoyl-l-glutamic acid +c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O 3K1 5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C 3K2 4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7 3K3 5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one +C[C@H]1[C@H](N1)C(=O)O 3K4 (2s,3s)-3-methylaziridine-2-carboxylic acid +C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O 3K5 3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose +C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5 3K6 n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide +Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC 3K7 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine +COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC 3K8 (14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 3K9 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O 3KA 1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F 3KB 5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O 3KC 3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol +c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O 3KD (1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol +COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O 3KE 4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid +c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O 3KF (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F 3KG 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one +c1cc2c(cc1c3nnc(s3)N)[nH]nn2 3KH 5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O 3KJ n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O 3KK s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C 3KL (5beta,9beta)-3-oxocholan-24-oic acid +[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N 3KM 3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide +c1cncc(c1N)c2nnc(s2)N 3KN 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4 3KO (2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one +C(C(CCl)Cl)Cl 3KP 1,2,3-trichloropropane +COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl 3KQ n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide +COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 3KR 1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C 3KS n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4 3KT (2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4 3KU n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C 3KV retinoic acid +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4 3KW (2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one +c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O 3KX 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one +CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C 3KY 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one +C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C 3KZ (1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C 3L0 (1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N 3L1 (2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol +C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4 3L2 (4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione +C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N 3L3 [(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N 3L4 [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid +c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N 3L5 (2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N 3L6 (2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L7 (2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid +c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 3L8 [(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O 3L9 montbretin a +CCCCCCCCCC(=O)CC(=O)O 3LA 3-oxododecanoic acid +CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C 3LB (3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LC (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +c1ccc(cc1)CCC2=CC(=O)C(=NN2)O 3LD 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C 3LE (3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid +COc1cc(cc(c1OC)OC)CCC(=O)O 3LF 3-(3,4,5-trimethoxyphenyl)propanoic acid +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O 3LG (5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid +CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5 3LH n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC 3LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O 3LJ 2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C 3LK bc-3205 +CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F 3LL (5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O 3LM (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid +CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 3LN (4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6 3LO (4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3 3LP 1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N 3LQ 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile +C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O 3LR 3,6-dideoxy-l-arabino-hexonic acid +c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O 3LS 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C 3LT (4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid +c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O 3LU 1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium +CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O 3LV 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid +c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br 3LW (3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium +CCCCCCCCCCCCC=S 3LX tridecanethial +CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3 3LZ 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea +Cc1cccc(c1N)C(=O)O 3M0 2-azanyl-3-methyl-benzoic acid +c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F 3M1 (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone +CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N 3M2 (5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one +Cc1c(c(n[nH]1)C)CCCOc2ccccc2F 3M3 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole +CCOc1ccccc1c2nc(no2)c3ccncc3 3M4 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine +CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 3M5 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O 3M6 (2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O 3M7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O 3M8 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F 3M9 4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide +C[n+]1cnc(c2c1[nH]cn2)N 3MA 6-amino-3-methylpurine +COc1cccc(c1)C(=O)N 3MB 3-methoxybenzamide +C[N+]1=C(C=CNC1=O)N 3MC 3-methylcytosine +C[C@@H]([C@@H](C(=O)O)N)C(=O)O 3MD 2s,3s-3-methylaspartic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C 3ME 2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) +CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO 3MF 3-o-methylfructose in linear form +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O 3MG 3-o-methyl-beta-d-glucopyranose +CC1=CC=CN(C1=S)O 3MH 1-hydroxy-3-methylpyridine-2(1h)-thione +c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl 3MI 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid +CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MJ 1-(3,4,5-trihydroxyphenyl)dodecan-1-one +C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 3MK beta-l-altropyranose +CC1=CC(=O)O[C@H]1CC(=O)O 3ML [(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@H](CCSC)C(=O)O 3MM (1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium +C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5 3MN 3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile +CN1CCOC1=O 3MO 3-methyl-1,3-oxazolidin-2-one +Cc1cccnc1 3MP 3-methylpyridine +c1cc(sc1)c2cc(no2)CO 3MQ (5-thiophen-2-ylisoxazol-3-yl)methanol +CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5 3MR (4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide +CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C 3MS n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide +C[n+]1ccsc1 3MT 3-methylthiazolium ion +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3MU 3-methyluridine 5'-(dihydrogen phosphate) +CC[C@@H](C)C[C@@H](CC)C(C)C 3MV (3r,5r)-3-ethyl-2,5-dimethylheptane +c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N 3MW 4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3MX 1-(3,4,5-trihydroxyphenyl)decan-1-one +c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O 3MY 3-chloro-d-tyrosine +CCCCCCCCC(=O)c1ccc(c(c1O)O)O 3MZ 1-(2,3,4-trihydroxyphenyl)nonan-1-one +CCCCCC(=O)c1cc(c(c(c1)O)O)O 3N0 1-(3,4,5-trihydroxyphenyl)hexan-1-one +Cc1c2cc(ccc2sc1CC(=O)O)Cl 3N1 (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid +c1cc2c(cc1Cl)c(cs2)CC(=O)O 3N2 (5-chloro-1-benzothiophen-3-yl)acetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O 3N3 (2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O 3N4 naphtho[2,1-b]thiophen-1-ylacetic acid +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O 3N5 (2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid +c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6 3N6 n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide +Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5 3N7 n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine +c1cc(c(cc1F)O)O 3N8 4-fluorobenzene-1,2-diol +C1=CC(=O)[C@@](C=C1F)(O)OO 3N9 (6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one +c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F 3NA {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid +CCCCCCCC(=O)c1cc(c(c(c1)O)O)O 3NB 1-(3,4,5-trihydroxyphenyl)octan-1-one +c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2 3NC cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide +c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl 3ND (3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide +c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F 3NE 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O 3NF n-acetyl-l-tyrosine +c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6 3NH (3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate +[Ni+3] 3NI nickel (iii) ion +C1=CC(=O)OC(=O)C=C1F 3NJ 4-fluorooxepine-2,7-dione +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC 3NK 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl 3NL 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide +Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O 3NM 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid +C(C[N+](=O)[O-])C(=O)O 3NP 3-nitropropanoic acid +C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 3NQ 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O 3NR 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol +Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO 3NS (3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid +Cc1cccc(c1)[N+](=O)[O-] 3NT 3-nitrotoluene +CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C 3NU 4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine +CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4 3NV 4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine +CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C 3NW 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea +C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O 3NX 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide +c1cc2c(cc1[N+](=O)[O-])nn[nH]2 3NY 5-nitro-1h-benzotriazole +COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N 3NZ 3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N 3O0 {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone +CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N 3O1 tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate +COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F 3O2 n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N 3O3 n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid +CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4 3O4 n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide +c1cc(ccc1OCCCCN)S(=O)(=O)N 3O5 4-(4-sulfamoyl-phenoxy)-butylammonium +Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F 3O6 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea +c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O 3O7 1,4,5,8-tetrahydroxyanthracene-9,10-dione +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO 3O8 1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO 3OA 1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione +CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N 3OB 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile +C1C[C@H](CC(=O)C1)C(=O)O 3OC (1r)-3-oxocyclohexanecarboxylic acid +CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 3OD (2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate +Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 3OE 4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide +[OH2][Fe+3][OH2] 3OF hydrated fe (iii) ion, 2 waters coordinated +CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C 3OG (1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate +C(CO)C(=O)O 3OH 3-hydroxy-propanoic acid +B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O 3OJ 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile +c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN 3OK 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione +CCCCC[C@H](C=C)O 3OL (3r)-oct-1-en-3-ol +CCCCC[C@@H](C=C)O 3OM (3s)-1-octen-3-ol +CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C 3ON (3r)-3-hydroxy-8'-apocarotenol +CC(C)(C)NCCCNC(=O)c1cccc(c1)Br 3OO 3-bromo-n-[3-(tert-butylamino)propyl]benzamide +c1cc(cnc1)Oc2cccnc2 3OP 3,3'-oxydipyridine +C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O 3OQ 3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO 3OR 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO 3OS 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide +COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5 3OT 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C 3OU 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one +CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C 3OV 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OW (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C 3OX (2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide +CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br 3OY n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide +Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl 3OZ [4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid +CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C 3P0 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile +c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N 3P1 8-[(quinolin-2-ylmethyl)amino]adenosine +Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C 3P2 n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O 3P3 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O 3P4 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one +c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O 3P5 (3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F 3P6 (4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O 3P7 (2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid +C[NH3+] 3P8 methylammonium ion +C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O 3P9 (2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C1CCC(C1)CCC(=O)O 3PA 3-cyclopentyl-propionic acid +C[C@H](CC(=O)O)OP(=O)(O)O 3PB (3r)-3-(phosphonooxy)butanoic acid +CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC 3PC (3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N 3PD 2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 3PE 1,2-distearoyl-sn-glycerophosphoethanolamine +CN1Cc2ccccc2NC1=O 3PF 3-methyl-3,4-dihydroquinazolin-2(1h)-one +C([C@H](C(=O)O)O)OP(=O)(O)O 3PG 3-phosphoglyceric acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC 3PH 1,2-diacyl-glycerol-3-sn-phosphate +CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC 3PI (1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O 3PJ n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +CCCCCC(=O)O[C@@H](C)COC(=O)CCCC 3PK (2s)-1-(pentanoyloxy)propan-2-yl hexanoate +c1ccc(cc1)CCC=O 3PL 3-phenylpropanal +CC(C)(C)OC[C@H](C(=O)O)N 3PM o-tert-butyl-d-serine +OP(=O)(O)OP(=O)(O)OP(=O)(O)O 3PO triphosphate +C(CP(=O)(O)O)C(=O)O 3PP 3-phosphonopropanoic acid +C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl 3PQ 2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide +Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N 3PS 4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide +CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC 3PT (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4 3PU 5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl 3PW 5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide +CC(C)O[C@H]1CCN[C@@H]1C(=O)O 3PX (3s)-3-(propan-2-yloxy)-l-proline +C(C(=O)C(=O)O)O 3PY 3-hydroxypyruvic acid +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5 3PZ (3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N 3Q0 6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine +c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N 3Q1 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine +C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N 3Q2 6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine +c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N 3Q3 (2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide +C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5 3Q4 (3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide +C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q5 tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate +C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C 3Q6 tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate +C[As+](C)(C)CC(=O)[O-] 3Q7 (trimethylarsonio)acetate +CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C 3Q8 3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO 3QA (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O 3QB lincomycin +Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C 3QC (4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide +B(CC)(O)O 3QD ethylboronic acid +c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 3QE {[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N 3QF [2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid +c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O 3QG [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid +Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N 3QH 6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide +Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C 3QI 5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one +[B-](CCCCCC)(O)(O)O 3QJ hexyl(trihydroxy)borate(1-) +[B-](CCCCCCCC)(O)(O)O 3QK trihydroxy(octyl)borate(1-) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O 3QL n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide +C[C@H](Cc1ccccc1)N=O 3QM [(2r)-2-nitrosopropyl]benzene +Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O 3QN (e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine +c1ccc(cc1)Cc2ccncc2 3QO 4-benzylpyridine +Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O 3QP (e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid +CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C 3QQ n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide +c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O 3QR [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3 3QS 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine +Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5 3QT 6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline +c1cc(ccc1Cc2ccncc2)[N+](=O)[O-] 3QU 4-(4-nitrobenzyl)pyridine +c1cc2c(cc1O)OC(=O)C(=C2)C#N 3QV 7-hydroxy-2-oxo-2h-chromene-3-carbonitrile +CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC 3QW n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F 3QX 4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3 3QY n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 3QZ (9beta)-17-hydroxypregn-4-ene-3,20-dione +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5 3R0 n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine +Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl 3R1 2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide +C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O 3R2 2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O 3R3 [[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc2c(cc1F)sc(c2Cl)C(=O)O 3R4 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid +COc1ccc(c(c1)C=O)OCc2cccnc2 3R5 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde +CSc1ccc(c(c1)C(=O)O)O 3R6 2-hydroxy-5-(methylsulfanyl)benzoic acid +C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O 3R7 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid +C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O 3R9 (3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4 3RA 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one +C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2 3RB (2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid +c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4 3RC 3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O 3RD 4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC 3RE 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5 3RF n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +c1ccc(c(c1)C(=O)O)NCC(=O)O 3RG 2-[(carboxymethyl)amino]benzoic acid +c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N 3RH (6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine +C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O 3RI (3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol +c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6 3RJ n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine +C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O 3RK (3s,4r,5r,6s)-azepane-3,4,5,6-tetrol +COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O 3RL pterostilbene +c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br 3RM 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine +C1CC(=O)C(=C1)CO 3RN 2-(hydroxymethyl)cyclopent-2-en-1-one +c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O 3RO 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC 3RP 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine +Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC 3RQ 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N 3RR 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C 3RS (2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide +c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6 3RT n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine +c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3 3RU 3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide +c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F 3RV 5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4 3RW [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone +CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C 3RX n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O 3RY 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid +Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N 3RZ 4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide +CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O 3S0 (2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O 3S1 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one +CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O 3S2 [(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid +C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+] 3S3 (1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium +C[C@@](CCO)(CC(=O)O)OP(=O)(O)O 3S4 (3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid +[H]/N=C(/N)\NCCS(=O)(=O)O 3S5 taurocyamine +C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O 3S6 prop-2-en-1-yl beta-d-galactofuranoside +c1ccc(cc1)COC(=O)NCC#N 3S9 benzyl (cyanomethyl)carbamate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO 3SA acarbose derived trisaccharide +Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O 3SB (2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4 3SC 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C 3SD n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F 3SE 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F 3SF 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F 3SG methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate +CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3 3SH ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate +Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C 3SJ 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +Cc1ccccc1C(=O)O 3SK 2-methylbenzoic acid +C([C@@H](C(=O)O)O)S(=O)(=O)O 3SL (2r)-3-sulfolactic acid +CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C 3SM 2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide +CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4 3SN n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O 3SO {5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate +[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N 3SP n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide +c1cc(ccc1c2c[nH]cn2)F 3SQ 4-(4-fluorophenyl)-1h-imidazole +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4 3SR 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione +C(CSS)C(=O)O 3SS 3-disulfanylpropanoic acid +CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N 3ST 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide +c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S 3SU (2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid +CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C 3SV (3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2 3SW (2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid +CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3 3SX n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide +C(C(CO)(CO)CO)O 3SY 2,2-bis(hydroxymethyl)propane-1,3-diol +c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N 3SZ 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline +Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O 3T0 (5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione +COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2 3T1 (3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C 3T2 (2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid +c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS 3T3 [(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium +c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N 3T4 {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C 3T5 (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate +c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N 3T7 2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole +CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C 3T8 n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide +COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4 3T9 2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol +Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl 3TA 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N 3TB n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide +C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N 3TC 4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 3TD (1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC 3TF (2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate +c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3 3TG 1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one +c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl 3TH 2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O 3TI 1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol +CCN1CNS(=O)(=O)c2c1ccc(c2)F 3TJ 4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C 3TK n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4 3TL benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate +CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C 3TN (2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3 3TO 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine +C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N 3TP (2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine +CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3 3TQ n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide +c1[nH]nc(n1)N 3TR 3-amino-1,2,4-triazole +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl 3TS (2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N 3TT [[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O 3TU (2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide +COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TW 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol +c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O 3TX 4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol +c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N 3TY 3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3TZ n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid +c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F 3U1 3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2 3U2 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide +C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C 3U3 n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide +c1ccc(c(c1)C(=O)O)F 3U4 2-fluorobenzoic acid +c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N 3U5 5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine +c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N 3U6 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine +c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O 3U7 4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O 3U8 4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid +C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C 3U9 3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O 3UA (2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C 3UB propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O 3UC [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O 3UD 4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid +Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 3UE [4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone +c1cc(ccc1SCCO)S(=O)(=O)N 3UF 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F 3UG 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O 3UH ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid +Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N 3UJ 5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 3UK 5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3 3UL n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide +C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O 3UM (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid +CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC 3UN (4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid +COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3 3UO 2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide +c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4 3UP 2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide +C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1 3UQ [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) +c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F 3UR (3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine +CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O 3US n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6 3UT (5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N 3UW (4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C 3UX (4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one +C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F 3UY (4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine +COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C 3UZ (2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide +c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O 3V0 n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide +Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N 3V1 2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide +CC[C@H](N)P(=O)(O)O 3V2 [(1r)-1-aminopropyl]phosphonic acid +C(COCCOCCOCCOCCN)C(=O)O 3V3 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid +CC1=CC[C@H]2[C@@H](C1)C2(C)C 3V4 (+)-3-carene +CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN 3V5 (3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline +C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O 3V6 bactobolin a +c1c(nnn1CCCO)CO 3V7 3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O 3V8 (4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O 3V9 n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C([C@H]([C@@H](CO)O)O)O 3VB d-threitol +CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4 3VC n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4 3VD n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine +Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4 3VE n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine +CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N 3VF n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O 3VH (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid +c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O 3VI 1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium} +[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC 3VJ 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide +CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C 3VK n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O 3VL methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN 3VM trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide +C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N 3VN (2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid +c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N 3VO (4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF 3VP (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1ccnc(c1)c2ccc(s2)C(=O)N 3VQ 5-(pyridin-2-yl)thiophene-2-carboxamide +CNCc1ccc(cc1)Cn2cccn2 3VR n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine +c1cc(ccc1C(=O)N)n2ccnc2 3VS 4-(1h-imidazol-1-yl)benzamide +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O 3VT [(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid +B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O 3VU {(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 3VV s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name) +c1ccc(cc1)C(=O)C2CCNCC2 3VW phenyl(piperidin-4-yl)methanone +CC(=O)Nc1ccc2c(c1)C=CC2=O 3VX n-(1-oxo-1h-inden-5-yl)acetamide +Cn1cc(c2c1cccc2)CC(=O)O 3VY (1-methyl-1h-indol-3-yl)acetic acid +CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O 3VZ {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid +c1cc(ccc1CN)Cn2cc(cn2)Cl 3W1 1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine +CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5 3W2 2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one +C=CCOc1ccc(cc1)S(=O)(=O)N 3W3 4-(allyloxy)benzenesulfonamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5 3W4 n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5 3W5 n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide +CCCOc1ccc(cc1)S(=O)(=O)N 3W6 4-propoxybenzenesulfonamide +CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O 3W7 1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one +CCOc1ccc(cc1)S(=O)(=O)N 3W8 4-ethoxybenzenesulfonamide +CCN(CC)c1ccc(cc1)C=O 3W9 4-(diethylamino)benzaldehyde +c1nc(c2c(n1)NC=CC2=O)N 3WA 4-aminopyrido[2,3-d]pyrimidin-5(8h)-one +Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C 3WB (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +Cc1cc(nc2c1cccc2)N3CCNCC3 3WC 4-methyl-2-(piperazin-1-yl) quinoline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WD 2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br 3WE (2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O 3WF ethinyl estradiol +[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 3WG trans-nonachlor +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I 3WH n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide +c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N 3WJ 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O 3WK 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 3WL 5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one +CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O 3WM (1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol +c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N 3WN 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one +c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N 3WO 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one +C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F 3WP (4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C 3WQ 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone +c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N 3WR 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +CC(C)(C(=O)O)NC 3WS n,2-dimethyl-l-alanine +CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC 3WT (3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid +C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O 3WU (2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC 3WV n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +c1ccc(cc1)C[C@@H](c2nccs2)N 3WW (1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine +C[C@]1(CCCN1)C(=O)O 3WX 2-methyl-l-proline +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C 3WY 2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N 3WZ 2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl 3X0 (4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine +CCCCCCCCC/C=C/C(=O)O 3X1 (2e)-dodec-2-enoic acid +c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O 3X2 2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4 3X3 5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole +CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O 3X4 n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine +c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O 3X5 (2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 3X6 (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N 3X7 3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 3X8 biphenyl-4-yl alpha-d-mannopyranoside +CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C 3X9 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F 3XA 6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F 3XB 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F 3XC 6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XD 6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F 3XE (4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F 3XF 6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4 3XG ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate +c1cc(cc(c1)O)C(=O)NCC(=O)O 3XH 3-hydroxyhippuric acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2 3XI n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O 3XJ 4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid +CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N 3XK n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide +c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O 3XL 3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile +CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O 3XM 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one +c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XN 4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside +CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 3XO 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O 3XQ (2s)-2,3-dihydroxypropyl octadecanoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O 3XR (2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium +COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O 3XS 2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid +[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N 3XT 4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O 3XU (4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O 3XV n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide +Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F 3XW 4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +C/C=C/1\C(=O)C(=C(O1)C)O 3XX (2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 3XY 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N 3XZ bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate +CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 3Y0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N 3Y1 2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide +[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl 3Y2 2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl 3Y3 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl 3Y4 methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl 3Y5 1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O 3Y6 3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid +c1cc(c2c(c1N)non2)N3CCOCC3 3Y7 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine +CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O 3Y8 3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid +c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3Y9 n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YA n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N 3YB n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YC (s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YD (s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid +c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 3YE (s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid +c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N 3YF (s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid +c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3YG (s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid +[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N 3YH 3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O 3YI (2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate +COc1cc(ccc1O)C[C@@H](C(=O)O)N 3YM 3-methoxy-l-tyrosine +C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O 3YN [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate +Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C 3YO n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide +C1CCC(C1)CCC(=O)NO 3YP 3-cyclopentyl-n-hydroxypropanamide +Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O 3YQ {[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid) +c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F 3YR 2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide +c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F 3YS n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YT 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 3YU (2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YV 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O 3YW (2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N 3YX 3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4 3YY (5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione +Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6 3YZ [(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone +CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N 3Z0 [(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone +Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC 3Z1 2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide +CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6 3Z2 n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide +Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z3 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z4 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6 3Z5 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one +Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N 3Z6 1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone +COc1cc(ccc1O)Br 3Z7 4-bromo-2-methoxyphenol +c1cc2c(cc1Cl)C(=O)NCC2 3Z8 7-chloro-3,4-dihydroisoquinolin-1(2h)-one +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC 3Z9 methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate +CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O 3ZA (4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid +c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB 5-chloro-1h-indole-2-carboxylic acid +CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC 3ZC 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 3ZD (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide +c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZE {2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N 3ZF {2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid +c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3 3ZG 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O 3ZH 11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid +CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZJ n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZK 4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide +C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N 3ZL n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine +Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO 3ZM 5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide +CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC 3ZN (3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O 3ZO 2'-deoxy-xanthosine-5'-monophosphate +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC 3ZP 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal +C1CC[C@@H]([C@H](C1)O)O 3ZQ (1s,2s)-cyclohexane-1,2-diol +CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC 3ZR diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate +C1C[C@@H]2[C@H](C1)O2 3ZS (1r,5s)-6-oxabicyclo[3.1.0]hexane +COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N 3ZU (2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one +COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC 3ZV 5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 3ZZ protoporphyrin ix containing indium +CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C 400 3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide +CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O 401 (2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid +C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 402 dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl 403 (2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide +CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C 404 (2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol +c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F 405 (3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C 406 n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO 407 n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F 408 (3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O 409 n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N 40A n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O 40B [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) +C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N 40C n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F 40D 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine +CC(C)NC(=O)C(=O)O 40E oxo(propan-2-ylamino)acetic acid +C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N 40F (1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid +C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N 40G n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine +C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 40H (1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O 40J 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside +c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl 40K [(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid +CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 40L 5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one +CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C 40M n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide +c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F 40N 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one +C1CC[C@H]([C@@H](C1)O)O 40O (1r,2r)-cyclohexane-1,2-diol +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O 40P pinnatoxin a +c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N 40Q 4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid +CCCCn1cncn1 40R 1-butyl-1h-1,2,4-triazole +CC(CCO)CCO 40S 3-methylpentane-1,5-diol +CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O 40T n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3 40U n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide +COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-] 40V n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N 40W 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C 40X (6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N 40Y 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide +Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl 40Z 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide +c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4 410 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid +[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4 411 3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide +[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO 412 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine +COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N 413 (s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O 414 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2 415 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea +CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O 416 (2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3 417 (1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine +COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O 418 2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC 419 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide +CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C 41A 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl 41B 1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one +c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-] 41D 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate +CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC 41E 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide +c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4 41F n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O 41G 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid +C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H (betas)-beta-methyl-l-phenylalanine +c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 41I 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide +C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C 41J pinnatoxin g +C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O 41K (2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid +c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3 41L n-(1h-benzimidazol-1-yl)-2-phenylacetamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2 41M n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4 41N 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone +c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O 41O 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one +COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC 41P 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide +[H]/N=C(/C[C@@H](C(=O)O)N)\O 41Q 4-imino-l-homoserine +Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO 41R n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F 41S n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide +CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC 41T n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide +CNCC[C@@H](c1ccccc1)Oc2ccccc2OC 41U nisoxetine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41V (1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C 41W (1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol +CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3 41X (2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine +C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC 41Y 2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol +Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C 41Z 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI 420 n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide +[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N 421 6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester +c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N 422 3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 423 (1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl 424 (2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O 425 2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N 426 6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide +[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO 427 (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine +CC(C)c1cn2c(n1)ccc(n2)O 428 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol +CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 429 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester +c1cc2c(c[nH]c2nc1)C#N 42A 1h-pyrrolo[2,3-b]pyridine-3-carbonitrile +C(CN)[C@H](C(=O)O)O 42B 4-amino-2-hydroxybutanoic acid +CN(C)c1c2c(nc[nH]2)ncn1 42C n,n-dimethyl-7h-purin-6-amine +COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O 42D 3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N 42E [(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC 42F methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O 42G 4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O 42H (4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O 42I n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide +c1cc(c(cc1CCN)Cl)Cl 42J 2-(3,4-dichlorophenyl)ethanamine +c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N 42K 4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide +CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC 42L methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate +COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO 42M {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium] +c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O 42O (3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO 42P (1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F 42Q 1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O 42R (3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one +c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F 42S n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide +c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO 42T 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F 42U 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline +CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S 42V 5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one +CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S 42W (e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one +CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 42X n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide +CCC(=O)OC[C@@H](C(=O)O)N 42Y o-propanoyl-l-serine +c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O 42Z n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4 430 5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2 431 2-(4-methylphenyl)-4h-chromen-4-one +CCCC(=O)OC[C@@H](C(=O)O)N 432 o-butanoyl-l-serine +CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl 433 2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid +Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O 434 spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione] +Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 435 4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC 436 (2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4 437 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea +CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O 438 2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid +CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 439 6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4 43A (3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6 43B 3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4 43C 4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile +Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C 43D 4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile +c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl 43E 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea +COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl 43F 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene +c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O 43G 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one +B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O 43H [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid +CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3 43J 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one +c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F 43K (5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br 43L (5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine +Cc1cc(ccc1Cl)O 43M 4-chloro-3-methylphenol +CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C 43N 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid +Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC 43O n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide +CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3 43P 4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole +C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O 43Q (3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate +CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC 43R n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br 43S 6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine +C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C 43T 3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide +COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br 43U 6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl 43V n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C#CCCOP(=O)(O)OP(=O)(O)O 43W but-3-yn-1-yl trihydrogen diphosphate +C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F 43X [(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate +CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 43Y [(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate +c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O 43Z optactamide +CC#CCOc1ccc(cc1)S(=O)(=O)CCCS 440 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol +c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O 442 2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O 443 1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one +c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O 444 n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide +c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 445 n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine +COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4 446 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid +COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5 447 n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide +C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F 448 (2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +C[N+]1(CCC(CC1)C(=O)O)C 449 4-carboxy-1,1-dimethylpiperidin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N 44A 9-beta-d-ribofuranuronosyl-9h-purin-6-amine +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F 44B 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 44C 4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O 44D 7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione +CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC 44E (2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate +COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2 44F 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea +CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC 44G (2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl 44I 6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44J n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44K n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 44L 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 44M 2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O 44N 2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N 44O [(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O 44P 5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N 44Q 3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N 44R n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O 44S 2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose +CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O 44T 7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N 44U beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide +C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N 44V (6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +CC1=NC2=C(NC1)N=C(NC2=O)N 44W 2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F 44X 6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC 44Z 4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O 450 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone +CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2 451 n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide +CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F 452 2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5 453 (4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4 454 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl 455 (3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC 456 n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide +CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO 458 4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO 459 4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 45A 5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine +CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide +c1c(c(cc(c1Cl)Cl)O)O 45C 4,5-dichlorobenzene-1,2-diol +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45D beta,beta-carotene-4,4'-dione +Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC 45E 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone +C#CCO[C@H]1C[C@H](NC1)C(=O)O 45F (4s)-4-(prop-2-yn-1-yloxy)-l-proline +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C 45H beta,beta-carotene-4,4'-dione +c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N 45I 2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid +B1(c2c(ccs2)C(=NN1C)Cl)O 45J 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol +c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 45K (8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one +Cc1cccc(c1)C(=O)NN 45L 3-methylbenzohydrazide +c1cc(ccc1C(=O)NNC2=NCCC2)Br 45M 4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide +c1cc2c(cc1CNC3CCCC3)OCO2 45N n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine +C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C 45O 6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl 45P 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide +Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C 45Q n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4 45R 7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium +Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl 45S n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide +c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N 45T {[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N 45U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide +CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C 45V 2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide +C#CO[C@H]1C[C@@H](NC1)C(=O)O 45W (4s)-4-(ethynyloxy)-d-proline +c1cc(cnc1)CCN 45X 2-(pyridin-3-yl)ethanamine +c1cc(ccc1CC(=O)NN)F 45Y 2-(4-fluorophenyl)acetohydrazide +c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F 45Z 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile) +Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4 460 2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine +C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 461 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC 462 n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide +CC(=O)Nc1cccc(c1)CN 463 n-[3-(aminomethyl)phenyl]acetamide +c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N 464 3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide +CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O 465 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4 466 n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide +CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 467 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide +Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 468 (3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F 469 2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide +CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C 46A n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine +CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O 46B {4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid +CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4 46C 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O 46D (4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid) +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 46E (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate +COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl 46F (2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F 46G 6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline +C1CCN(CC1)C(=O)[C@H]2CCCNC2 46H (3s)-piperidin-3-yl(piperidin-1-yl)methanone +C1CCN(CC1)C(=O)[C@@H]2CCCNC2 46J (3r)-piperidin-3-yl(piperidin-1-yl)methanone +CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O 46K n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide +CN(C)c1ccc(cn1)C(=O)O 46L 6-(dimethylamino)pyridine-3-carboxylic acid +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O 46M (4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid +c1cc2c(cc1[C@H]3CCCN3)OCCO2 46O (2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine +Cc1c(sc(n1)N)c2nccn2C 46P 4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine +CC[C@](C)(CN)N1CCOCC1 46Q (2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine +c1conc1C(=O)NCC(F)(F)F 46R n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide +Cc1cc(ncn1)N2CCCCCC2 46S 1-(6-methylpyrimidin-4-yl)azepane +CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C 46T (1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N 46U (s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide +CNC(=S)Nc1ccc(cc1Cl)Br 46V 1-(4-bromo-2-chlorophenyl)-3-methylthiourea +[H]/N=C(\N)/N1CCC(CC1)C 46W 4-methylpiperidine-1-carboximidamide +C1CCN(C1)c2c(c(n[nH]2)N)C#N 46X 3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile +Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C 46Y 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile +c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O 46Z (2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate +CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4 470 (3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine +CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C 471 n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4 472 (5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N 474 (2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide +c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 475 n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine +CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 476 3-butyl-1-(2,2-diphosphonoethyl)pyridinium +CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O 477 3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol +CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N 478 {3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2 479 4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide +c1cc(ccc1C(=O)CN)Br 47A 2-amino-1-(4-bromophenyl)ethanone +c1cc(c(cc1c2cn3ccnc3nn2)F)F 47B 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine +C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 47C 2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate) +c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O 47D {3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid +c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E (2r)-(3-chlorophenyl)(hydroxy)ethanoic acid +COc1ccc(cc1O)CN 47G 5-(aminomethyl)-2-methoxyphenol +CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C 47H 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline +c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5 47I 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol +Cc1cc(n(n1)C)CN 47J 1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine +CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C 47K 2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide +C1CCC(CC1)C(=O)NC[C@H]2CCCO2 47L n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide +c1cc(oc1CN)C(F)(F)F 47M 1-[5-(trifluoromethyl)furan-2-yl]methanamine +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O 47N neoagarobiose +C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 47P 2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one +c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3 47Q 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one +[H]/N=C(/C)\N(CC)CC 47R (1z)-n,n-diethylethanimidamide +CN(C)c1cccc(c1)C(=O)NN 47S 3-(dimethylamino)benzohydrazide +CC1CCC(CC1)NC(=O)[C@H]2CCCO2 47T (2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2 47U n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +Cc1cc(c(o1)C)C(=O)Nc2ccncc2 47V 2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide +COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3 47W 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium +c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O 47X 3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one +[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C 47Y 3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine +CCCCCCCC(=O)OC[C@H](CO)O 480 (2s)-2,3-dihydroxypropyl octanoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C 481 4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide +CCCC(=O)CC(=O)N[C@H]1CCOC1=O 482 3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CC1CCC(CC1)NC(=O)Cn2ccnc2 483 2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide +CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O 484 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O 485 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid +CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O 486 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one +C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2 487 6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine +CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O 488 (2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid +c1cc(ccc1[C@@H](CN)O)F 489 (1s)-2-amino-1-(4-fluorophenyl)ethanol +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl 48B 2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide +C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N 48C 5'-(d-alanylamino)-5'-deoxyuridine +C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C 48D (4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O 48E 5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N 48F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 48G n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 48H 2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid +c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl 48I [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +C(C(=O)O)(O)O 48J dihydroxyacetic acid +CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O 48K n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC 48L 4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N 48M 4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile +C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O 48N (2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid +CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N 48O 5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O 48P (1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O 48Q ~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide +C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C 48R (2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide +Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O 48S [(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 48T l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 48U 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide +C([C@@H](C(=O)N)N)SCC(=O)O 48V {[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid +C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 48W 6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide +C(COP(=O)(O)O)C(=O)O 48X 3-(phosphonooxy)propanoic acid +C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O 48Y (1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S 48Z 2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose +Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C 490 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C 491 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1cc(sc1)c2ccc(s2)CN 492 1-(2,2'-bithiophen-5-yl)methanamine +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 493 {4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid +c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N 494 (2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +c1ccc2c(c1)C(=O)NN=C2Cl 495 4-chlorophthalazin-1(2h)-one +c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO 496 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N 497 6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide +c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 498 p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N 499 5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N 49A 4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4 49B 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione +c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O 49C (1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one +C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49D 6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 49E 6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COCC[C@@H]1CCCN1 49F (2s)-2-(2-methoxyethyl)pyrrolidine +Cn1ccc(n1)CNCCc2ccccc2 49G n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC 49H 4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2 49J 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline +CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F 49K n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine +CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4 49L n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine +CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 49M (1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol +c1cc(c(nc1)N2CCNCC2)C(F)(F)F 49N 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine +c1cc(c(nc1)N2CCNCC2)C#N 49O 2-(piperazin-1-yl)pyridine-3-carbonitrile +c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F 49P 1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol +c1ccc(cc1)COc2ccc(cc2)CCCO 49Q 3-[4-(benzyloxy)phenyl]propan-1-ol +CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1 49R tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O 49S 2-acetamido-2-deoxy-beta-d-mannopyranuronic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O 49T 2-acetamido-2-deoxy-alpha-d-fucopyranose +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N 49U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide +CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O 49V 2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O 49W n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O 49X (1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol +CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O 49Y (4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide +Cc1ccc(s1)CNCCc2ccccc2F 49Z 2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine +c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O 4A0 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol +CCCS(=O)(=O)Nc1ccccc1C(=O)O 4A1 2-[(propylsulfonyl)amino]benzoic acid +COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O 4A2 (2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid +c1cc(c(cc1C(=O)O)O)N 4A3 4-amino-3-hydroxybenzoic acid +c1c(c(nn1CC(=O)O)C2CC2)Br 4A5 (4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid +CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C 4A6 [(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium +CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC 4A7 2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide +CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC 4A8 n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 4A9 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide +c1cc(c(c(c1C(=O)O)N)O)Cl 4AA 4-chloro-3-hydroxyanthranilic acid +C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O 4AB 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4AC n(4)-acetylcytidine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N 4AD 4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4 4AE n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N 4AF 4-acetyl-l-phenylalanine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC 4AG (2r)-3-hydroxypropane-1,2-diyl dihexadecanoate +CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC 4AH {(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester +c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl 4AJ 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N 4AK n~6~-sulfo-l-lysine +c1cc(ccc1CN)CO 4AL [4-(aminomethyl)phenyl]methanol +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N 4AM 4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N 4AN 6-amino-benzo[de]isoquinoline-1,3-dione +CCOc1c2cccc(c2nc(n1)N=C(N)N)C 4AO 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine +c1c[nH+]ccc1N 4AP 4-aminopyridine +Cn1cccc1CNCCc2c[nH]c3c2cccc3 4AQ 2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine +Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C 4AR amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium +CNCc1nccn1C 4AS n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine +CC(=O)CCCC(=O)O 4AT 5-oxohexanoic acid +c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3 4AU 1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone +CNCc1cc(ccc1Cl)[N+](=O)[O-] 4AV 1-(2-chloro-5-nitrophenyl)-n-methylmethanamine +c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1 4AW 4-azatryptophan +C1[C@H](C(=O)NO1)N 4AX (r)-4-amino-isoxazolidin-3-one +c1cc(ccc1CBr)C(=O)O 4AY 4-(bromomethyl)benzoic acid +c1cc(ccc1CN)C(=O)O 4AZ 4-(aminomethyl)benzoic acid +C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO 4B0 3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-] 4B1 n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3 4B2 (4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C 4B3 4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O 4B5 n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide +Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5 4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide +c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O 4B8 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol +c1cc(ccc1CNCCC(=O)O)C(=O)O 4BA 4-[(2-carboxy-ethylamino)-methyl]-benzoic acid +CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br 4BB 4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4 4BC 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 4BD 5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine +c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br 4BE 4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide +c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF 4-bromo-l-phenylalanine +c1ccc(cc1)COc2ccc(cc2)NC(=O)CN 4BG n-[4-(benzyloxy)phenyl]glycinamide +c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3 4BH 4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol +Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C 4BI (2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid +CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC 4BJ n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide +Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C 4BK n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide +Cc1ccc2cc([nH]c2c1)C(=O)O 4BL 6-methyl-1h-indole-2-carboxylic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O 4BM n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 4BN 3-oxo-4-pregnene-20-carboxyl-coenzyme a +c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N 4BO (3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid +c1cc(ccc1CBr)c2ccc(cc2)CBr 4BP 4,4'-bis(bromomethyl)biphenyl +c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N 4BQ (2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid +Cc1ccc(cc1)OCC[P@H](=O)[O-] 4BR 2-(4-methylphenoxy)ethylphosphinate +c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN 4BS 4-amino-n-[4-(benzyloxy)phenyl]butanamide +[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N 4BT 2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea +c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O 4BU (2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid +Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C 4BV n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4BW 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one +c1ccc2c(c1)[nH]c(n2)CCC(=O)O 4BX 3-(1h-benzimidazol-2-yl)propanoic acid +Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY 5-methyl-1h-indole-2-carboxylic acid +[H]/N=C(\c1ccc(cc1)CO)/N 4BZ 4-(hydroxymethyl)benzamidine +c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4C0 3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C 4C1 n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide +Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F 4C2 n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C 4C4 myxopyronin b +COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N 4C5 (2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid +Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C 4C6 3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide +C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C 4C7 (3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate +c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br 4C8 2,4-dibromophenyl 2,4,6-tribromophenyl ether +CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 4C9 (2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O 4CA 4-hydroxybenzyl coenzyme a +B(c1ccc(cc1)C(=O)O)(O)O 4CB 4-carboxyphenylboronic acid +[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N 4CC n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine +Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl 4CD 4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl 4CE (2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide +c1cc(ccc1C[C@@H](C(=O)O)N)C#N 4CF 4-cyano-l-phenylalanine +C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O 4CG (1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid +c1cc(ccc1O)Cl 4CH 4-chlorophenol +c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O 4CK 4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid +c1cc(c(cc1Cl)O)O 4CL 4-chlorobenzene-1,2-diol +C[P@](=O)(c1ccc(cc1)C(=N)N)O 4CM (4-carbamimidoylphenyl)-methyl-phosphinic acid +Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C 4CN 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O 4CO 4-hydroxyphenacyl coenzyme a +[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl 4CP 2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O 4CQ 6-o-alpha-d-glucosyl-beta-cyclodextrin +CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C 4CR (1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium +CC1=N[C@@H](CCN1)C(=O)O 4CS (4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl 4CT (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol +CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C 4CU (~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4 4CV 3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2 4CW n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C 4CX n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide +C(CSC#N)[C@@H](C(=O)O)N 4CY nitrilo-l-methionine +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4 4CZ 2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide +c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 4D0 n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine +CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 4D1 n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3 4D2 5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +COC(=O)/C=C(\C#N)/c1ccc(cc1)F 4D3 methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate +[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O 4D4 (2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4D5 methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate +B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O 4D6 vaborbactam +Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O 4D7 3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C 4D8 (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid +c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4D9 3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N 4DB (2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid +CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3 4DC (2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide +C[C@H](CCc1ccccc1)N 4DD (2r)-4-phenylbutan-2-amine +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C 4DE 1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl 4DF 5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N 4DG 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O 4DH 3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine +[H]/N=C(\N)/SCCCCN(C)C 4DI 4-(dimethylamino)butyl imidothiocarbamate +Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DJ 3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol +Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5 4DK 3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol +c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DL 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol +Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O 4DM (4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide +c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5 4DN 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol +CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DO n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine +CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N 4DP 3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F 4DQ n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine +c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S 4DS 4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid +CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F 4DT 3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol +c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4DU 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine +Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C 4DV 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O 4DW n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid +C[C@H]1CCCC[C@@H]1O 4DX (1s,2s)-2-methylcyclohexanol +CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O 4DY (6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide +c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl 4DZ 2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile +CCCCCCCCCCCCCCCCOP(=O)(CCCC)F 4E0 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane +c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O 4E1 10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl 4E2 10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br 4E3 10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid +CCC(CC)(CO)C(=O)Nc1ccc(nc1)C 4E4 2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide +c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O 4E5 (3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline +CCCCCCCCC/C=C/C=C/CC=C 4E6 (4e,6e)-hexadeca-1,4,6-triene +CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O 4E7 (3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline +c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3 4E8 3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 4E9 2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N 4EA (1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine +Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F 4EB 4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide +Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3 4ED 5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole +CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC 4EE 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine +CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4 4EF 3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide +COC(=O)/C=C(\C#N)/c1ccccc1 4EG methyl (2z)-3-cyano-3-phenylprop-2-enoate +c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N 4EH (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N 4EJ 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile +c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F 4EK 6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine +Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC 4EL 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O 4EM (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate +c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N 4EN [(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EO 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O 4EP 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O 4EQ 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc(c(c1)c2nc(nc(n2)N)N)Cl 4ER 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-] 4ES 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine +c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O 4ET (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(ccc1C(=O)c2ccc(cc2O)O)O 4EU (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone +c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O 4EV (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone +c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl 4EW 2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine +B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O 4EX (3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol +C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S 4EY 1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid +CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO 4EZ {[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol +CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N 4F0 (3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O 4F1 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4 4F2 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea +C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O 4F3 [2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5 4F4 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide +CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3 4F5 n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide +c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N 4F6 4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile +c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3 4F7 2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline +c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O 4F8 2-phenyl-1h-imidazole-4,5-dicarboxylic acid +c1cnccc1c2cnc[nH]2 4F9 4-(1h-imidazol-5-yl)pyridine +c1cc(ccc1CCO)F 4FA 4-fluorophenethyl alcohol +C1[C@@H](CN[C@@H]1C(=O)O)F 4FB (4s)-4-fluoro-l-proline +c1cc(ccc1c2ccc(cc2)F)C(=O)O 4FC 4'-fluoro-1,1'-biphenyl-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cn2)C(=O)N 4FD 6-(benzylamino)pyridine-3-carboxamide +COc1ccc(cc1O)\C=C\C(=O)O 4FE (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid +Cc1c(nc([nH]1)c2ccccc2)C(=O)O 4FF 5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid +c1cc(ncc1C(=O)N)N 4FG 6-aminopyridine-3-carboxamide +C1=CN(C(=S)C=C1C(F)(F)F)O 4FH 1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione +Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O 4FI (2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid +Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7 4FJ 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine] +c1cnccc1c2[nH]ccn2 4FL 4-(1h-imidazol-2-yl)pyridine +c1cc(ccc1CNC(=O)c2c(non2)N)Cl 4FM 4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4 4FN n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide +C(CN)[C@H](C(=O)O)N 4FO (2r)-2,4-diaminobutanoic acid +c1cc(ccc1CC2CCNCC2)F 4FP 4-(4-fluorobenzyl)piperidine +CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O 4FQ 4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C 4FR 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide +c1ccc2c(c1)cc(cn2)N 4FS quinolin-3-amine +c1ccc2cnncc2c1 4FT phthalazine +C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O 4FU (1r,2s)-cyclohexane-1,2-dicarboxylic acid +C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O 4FV 4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide +c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N 4FW 4-fluorotryptophane +COc1ccccc1CNc2ccc(cn2)C(=O)N 4FX 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide +c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O 4FY 4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid +[H]/N=C(\c1ccc(cc1)C=O)/N 4FZ 4-formylbenzenecarboximidamide +CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N 4G0 6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 4G1 n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O 4G2 2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid +c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N 4G3 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide +CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N 4G4 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide +CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O 4G5 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CC(C)(CN)N 4G6 2-methylpropane-1,2-diamine +c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F 4G7 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid +c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O 4G8 4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl 4G9 2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide +CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O 4GA 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium +CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2 4GB n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O 4GC beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 4GD n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O 4GE 5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid +CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6 4GF n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 4GG 2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O 4GH n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide +c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-] 4GI 3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate +c1cnccc1SSC[C@@H](C(=O)O)N 4GJ 3-(pyridin-4-yldisulfanyl)-l-alanine +Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C 4GK 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline +C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O 4GL alpha-d-gulopyranose +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O 4GM 6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NCC2CCCC2 4GN 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide +c1cc(ncc1C(=O)N)NC2CCCC2 4GO 6-(cyclopentylamino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O 4GP n-(carboxycarbonyl)-beta-d-glucopyranosylamine +c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O 4GQ n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl 4GR methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate +C1CNCCC1NC(=O)c2c(non2)N 4GS 4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide +c1c(c(nc(n1)NC2CCCC2)N)C(=O)N 4GT 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide +c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F 4GU n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 4GW 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate) +c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N 4GX (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone +C1CCC(CC1)CNC(=O)c2c(non2)N 4GY 4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide +Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N 4GZ 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide +c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F 4H0 (3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid +c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN 4H1 6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide +CC1=CC(=S)NC=C1 4H2 4-methylpyridine-2(1h)-thione +c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO 4H3 6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide +c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N 4H4 4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide +COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl 4H5 (1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile +c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3 4H6 6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide +CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N 4H7 6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide +CC(C)(C)CNc1ncc(c(n1)N)C(=O)N 4H8 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide +COc1ccc(cc1)C(=O)n2c(ncn2)N 4H9 (5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone +C(CCO)C[NH3+] 4HA 4-hydroxybutan-1-aminium +c1cc(ccc1c2ccc(cc2)O)O 4HB 4,4'-dihydroxybiphenyl +c1ccc2c(c1)C(=CC(=O)O2)O 4HC 4-hydroxy-2h-chromen-2-one +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O 4HD (4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C 4HE (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron +c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O 4HF n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid +c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I 4HG n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O 4HH o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3 4HI (3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O 4HJ o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N 4HK 5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile +c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O 4HL (6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate +COc1cc(ccc1O)OO 4HM 4-hydroperoxy-2-methoxy-phenol +CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N 4HN 2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile +CC1=CC(=O)N(C=C1)O 4HO 1-hydroxy-4-methylpyridin-2(1h)-one +c1cc(ccc1CC(=O)O)O 4HP 4-hydroxyphenylacetate +CN1CCN(CC1)C(=O)c2c(non2)N 4HQ (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone +c1ccc(c(c1)CO)Br 4HR (2-bromophenyl)methanol +C1=CC(=O)NC=C1Br 4HS 5-bromopyridin-2(1h)-one +c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N 4HT 4-hydroxytryptophan +c1cc(nc(c1)Br)CO 4HU (6-bromopyridin-2-yl)methanol +COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO 4HV n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide +c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N 4HW n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-] 4HX (4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide +c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O 4HY [4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid +C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 4HZ n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide +[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O 4I4 (5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N 4I5 (6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide +COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 4I7 (4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +COC(=O)c1ccc2c(c1)OC(=O)N2 4I8 methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate +Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3 4I9 5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate +CC(C)c1ccc(cc1)C(=O)O 4IA 4-propan-2-ylbenzoic acid +CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I 4IB tetraiodobisphenola +c1c(nc[nH]1)/C=C/CC(=O)O 4IC (3e)-4-(1h-imidazol-4-yl)but-3-enoic acid +Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F 4ID 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC 4IG (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one +CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 4IH ~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-] 4II (2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid +c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl 4IJ 5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N 4IK (2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid +c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N 4IN 4-amino-l-tryptophan +c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-] 4IO 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4IP inositol-(1,3,4,5)-tetrakisphosphate +Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N 4IQ 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide +C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C 4IR {n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC 4IT n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 4IU 2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid +c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O 4IX (2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J0 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N 4J2 (2r)-2-amino-3-(naphthalen-2-yl)propanoic acid +NOS(=O)(=O)N 4J3 amino(aminooxy)sulfane dioxide +c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F 4J4 s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine +C(CNC(=[NH2+])N)[C@@H](C(=O)O)N 4J5 amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O 4J6 (4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid +Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC 4J7 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine +Cc1ccc(cc1)S(=O)(=O)N 4J8 4-methylbenzenesulfonamide +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O 4J9 (2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol] +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O 4JA (2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate +CCc1ccc(cc1)S(=O)(=O)N 4JC 4-ethylbenzenesulfonamide +CCCc1ccc(cc1)S(=O)(=O)N 4JE 4-propylbenzenesulfonamide +CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC 4JF (1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C 4JG 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone +c1cc(cc(c1)Br)CN 4JH 1-(3-bromophenyl)methanamine +c1cc(c(cc1Cl)N)N 4JJ 4-chlorobenzene-1,2-diamine +[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N 4JK (s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid +c1cc(ccc1CO)Cl 4JL (4-chlorophenyl)methanol +CSc1ccc(cc1)N 4JM 4-(methylsulfanyl)aniline +c1cc(ncc1N)Br 4JN 6-bromopyridin-3-amine +Cc1c(ccc(n1)N)Br 4JO 5-bromo-6-methylpyridin-2-amine +c1cc2c(cc[nH]2)nc1 4JP 1h-pyrrolo[3,2-b]pyridine +c1cc2c(cc1N)C=CC(=O)O2 4JQ 6-amino-2h-chromen-2-one +Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5 4JR 2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one +CCC(=O)Nc1cc2ccccc2nc1 4JS n-(quinolin-3-yl)propanamide +c1ccc2c(c1)N=C(CS2)N 4JT 2h-1,4-benzothiazin-3-amine +CC1CCC(CC1)N 4JU trans-4-methylcyclohexanamine +Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N 4JV 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine +CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2 4JW (2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide +Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C 4JX n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N 4JY 4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide +Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C 4JZ 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea +c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N 4K0 4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile +[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N 4K1 2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide +c1cc2cccnc2c(c1)OC(=O)N3CCCCC3 4K2 quinolin-8-yl piperidine-1-carboxylate +c1ccc(cc1)NC(=O)CCS 4K3 n-phenyl-3-sulfanylpropanamide +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C 4K4 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4 4K5 (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone +Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4 4K6 n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl 4K7 (5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide +c1ccc2cnc(cc2c1)C(=O)O 4K8 isoquinoline-3-carboxylic acid +c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N 4K9 4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide +Cc1c2c(c[nH]n2)[nH]n1 4KA 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole +c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N 4KB 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide +c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KC 4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide +COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N 4KD 4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O 4KE (3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid +CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O 4KF (2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid +c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N 4KG 2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one +c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F 4KH 2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide +[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC 4KJ (5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3 4KK 2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +c1cc2c(cc(nc2c(c1)O)C(=O)O)O 4KL xanthuric acid +CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F 4KM tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate +c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F 4KN 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O 4KO (6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7 4KP 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine +CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O 4KQ 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O 4KR 7-aminocephalosporanic acid +COc1ccc(cc1)O 4KS 4-methoxyphenol +COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N 4KT 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile +c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS 4KU 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid} +CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl 4KV 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O 4KX 1,5 dienoyl-coa +CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C 4KY (4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline +B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O 4KZ n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O 4L0 (4r)-1-acetyl-4-(hexyloxy)-l-proline +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6 4L1 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole +CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C 4L2 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C 4L3 tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate +C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O 4L4 hygromycin a +CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N 4L5 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide +Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N 4L6 4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide +c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O 4L7 7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one +CC(C)C[C@H](CN)C(=O)O 4L8 (2r)-2-(aminomethyl)-4-methylpentanoic acid +C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F 4L9 n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C 4LA (r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl 4LB trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid +Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6 4LC 3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile +Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC 4LD 1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole +[C@@H](C(F)(F)F)(OC(F)F)Cl 4LE (2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane +c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O 4LF n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC 4LG methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl 4LH n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide +Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC 4LI (4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide +C(CN)CBr 4LJ 1.7.6 3-bromanylpropan-1-amine +COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O 4LK 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one +CCCCNc1ccc2cccc(c2n1)O 4LL 2-(butylamino)quinolin-8-ol +C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 4LM (2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid +Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O 4LN n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C 4LO n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C 4LP 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one +CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4 4LQ 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide +CC(=CCOP(=O)(O)O)C 4LR dimethylallyl monophosphate +Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 4LS 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol +C[C@H](C(=O)O)F 4LT (2r)-2-fluoropropanoic acid +Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C 4LU 1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol +C/C(=C\c1ccccc1)/C(=O)O 4LV (2e)-2-methyl-3-phenylprop-2-enoic acid +c1ccc(cc1)/C=C(/C(=O)O)\F 4LW (2z)-2-fluoro-3-phenylprop-2-enoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 4LX n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F 4LY [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile +c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N 4LZ o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine +Cc1ccc(c(c1)N)C(=O)O 4M0 2-azanyl-4-methyl-benzoic acid +Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5 4M1 2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC 4M2 3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine +[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N 4M3 n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine +COc1cc(ccc1O)C=C 4M4 2-methoxy-4-vinylphenol +CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 4M5 (4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5 4M6 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid +c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O 4M7 (1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide +CO[P@](=O)(CC[C@@H](C(=O)O)N)O 4M8 (2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid +[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O 4M9 (4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide +Cc1ccc(cc1)C(=O)O 4MA 4-methylbenzoic acid +CS(=O)(=O)Nc1ccc(cc1)C(=O)O 4MB 4-[(methylsulfonyl)amino]benzoic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C 4MC (z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e +C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N 4MD n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide +COC(=O)c1cccc2c1cc[nH]2 4ME methyl 1h-indole-4-carboxylate +Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4MF 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole +Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C 4MG 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N 4MH 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide +CSc1ccc(cc1)C(=O)O 4MI 4-methylsulfanylbenzoic acid +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C 4MJ 1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol +Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl 4MK 5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine +C[C@@]1(C=CC(=O)O1)CC(=O)O 4ML [(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +C[N+](C)(C)[C@@H](CCSC)C(=O)O 4MM n,n,n-trimethylmethionine +Cc1ccc(cc1)N 4MN 4-methylaniline +[Mo+4] 4MO molybdenum(iv) ion +COc1ccc(cc1)C(=O)N2CCCC2=O 4MP 1-(4-methoxybenzoyl)-2-pyrrolidinone +CN1CCCN(CC1)c2c3ccccc3ncn2 4MQ 4-(4-methyl-1,4-diazepan-1-yl)quinazoline +c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5 4MR 5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O 4MS n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide +c1cc(ccc1CCNC=S)O 4MT n-[2-(4-hydroxyphenyl)ethyl]thioformamide +CC1=CC(=O)Oc2c1ccc(c2)O 4MU 7-hydroxy-4-methyl-2h-chromen-2-one +CC(C)CCC(=O)O 4MV 4-methyl valeric acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C 4MW 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide +CCCCCc1cc(cc(c1C(=O)O)O)O 4MX 2,4-bis(oxidanyl)-6-pentyl-benzoic acid +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O 4MY myo inositol 3,4,5,6 tetrakisphosphate +Cc1c[nH]cn1 4MZ 4-methylimidazole +Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC 4N1 4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O 4N2 beta-l-idopyranose +CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O 4N3 n-octanoyl-d-valine +CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl 4N5 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone +c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO 4N6 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol +Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O 4N7 1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline +c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O 4N8 1-[(furan-2-ylmethyl)carbamothioyl]-l-proline +c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N 4N9 1-[(4-cyanobenzyl)carbamothioyl]-l-proline +c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O 4NA 1-chloro-6-(4-hydroxyphenyl)-2-naphthol +c1cc(ccc1C(=O)O)[N+](=O)[O-] 4NB 4-nitrobenzoic acid +c1cc(c(cc1[N+](=O)[O-])O)O 4NC 4-nitrocatechol +c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N 4ND n4-(n,n-diphenylcarbamoyl)-aminoguanidine +CCCC[P+](CCCC)(CCCC)CCCC 4NE tetrabutylphosphonium +c1cc(ccc1NC=S)[N+](=O)[O-] 4NF n-(4-nitrophenyl)thioformamide +C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O 4NG [(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C 4NH 4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +C(CC(=O)O)C[N+](=O)[O-] 4NI 4-nitrobutanoic acid +CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl 4NJ (5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one +C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O 4NK (1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium +c1cc(ccc1N)O 4NL 4-aminophenol +c1cc(ccc1CS)[N+](=O)O 4NM 4-nitrophenyl methanethiol +CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O 4NN n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O 4NO 4-nitro-2-phosphonobenzoic acid +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O 4NP 4-nitrophenyl phosphate +c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F 4NR 5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O 4NS 4-nitrophenyl sulfate +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O 4NT [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O 4NU {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl 4NX (5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one +c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F 4NY 4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid +c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N 4NZ 4-nitrobenzenesulfonamide +Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O 4O0 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid +C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O1 n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O 4O2 3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O 4O3 (11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione +CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl 4O4 6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide +CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl 4O5 4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl 4O6 (e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC 4O7 (5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F 4O8 {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F 4O9 {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C 4OA (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid +c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO 4OB n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC 4OC 4n,o2'-methylcytidine-5'-monophosphate +c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO 4OD n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide +c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F 4OE 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole +CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F 4OF n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N 4OG 3-(1-benzothiophen-3-yl)-l-alanine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O 4OH (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol +c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3 4OI (1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide +Cc1ccccc1OP(=O)(O)O 4OJ (2-methylphenyl) dihydrogen phosphate +c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl 4OK 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide +C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O 4OL n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] +CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F 4ON 5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N 4OO 4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine +C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C 4OP (2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl 4OQ 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine +CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl 4OR (s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide +COc1ccc(cc1)S(=O)(=O)O 4OS 4-methoxybenzenesulfonic acid +Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5 4OT [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone +C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N 4OU 4-(acryloylamino)-l-phenylalanine +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 4OV (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C 4OW n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide +C(CCC(=O)CCC(=O)O)CCC(=O)O 4OX 4-oxodecanedioic acid +COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O 4OZ methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate +CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 4P0 1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone +CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl 4P1 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide +C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8 4P2 (3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide +CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F 4P3 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide +c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5 4P4 8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide +c1coc2c1[nH]c(c2)C(=O)O 4P5 4h-furo[3,2-b]pyrrole-5-carboxylic acid +c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3 4P6 (3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3 4P7 (3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine +c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl 4P8 5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde +c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl 4P9 4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol +CCCOC(=O)C 4PA propyl acetate +C(CC(=O)NO)CP(=O)([O-])[O-] 4PB n-hydroxy-4-phosphono-butanamide +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PC 3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PD 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 4PE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol +C[C@H](COC[C@@H](C)OCCOC)N 4PF (2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine +[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2 4PG 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine +Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH 4-methyl-l-phenylalanine +Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3 4PI n-(4-methylbenzoyl)-4-benzylpiperidine +CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O 4PJ 2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2 4PK n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide +Cc1c(c2c(cn1)COC2=O)O 4PL 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one +C1CCN(CC1)C2CCNCC2 4PN 4-piperidino-piperidine +CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-] 4PO alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone +c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N 4PP (2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid +c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N 4PQ 5-hydroxy-l-tryptophan +CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C 4PR (3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate +CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4PS 4'-diphospho pantetheine +CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 4PT (2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate +[Pu+4] 4PU plutonium ion +CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F 4PV 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine +C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O 4PW levoglucosan +CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O 4PX 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione +c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4 4PY (2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1c[nH]nc1 4PZ 4-methyl-1h-pyrazole +CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC 4Q0 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione +CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C 4Q1 fumitremorgen b +C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3 4Q2 (2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide +CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F 4Q3 n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide +Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl 4Q4 {3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 4Q5 n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide +COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q7 2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 4Q9 2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QA 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one +CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O 4QB 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid +CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O 4QC 3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide +C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 4QD 8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one +Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4 4QE 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine +C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5 4QF (5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one +c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N 4QG 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide +CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC 4QH 3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide +c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl 4QI (4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one +CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7 4QJ (11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one +c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN 4QK 6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine +CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I 4QL 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 4QM (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl 4QO 2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide +CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4QP (2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N 4QQ 4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC 4QS [(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1(c(c(c(c(c1Br)OO)Br)OO)Br)N 4QT 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide +c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O 4QV 5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one +Cn1cncc1/C=C/2\CCN=C2c3cccnc3 4QW 3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine +CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl 4QX 3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O 4QY 2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose +C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl 4QZ 3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide +Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N 4R0 3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O 4R1 2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose +[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C 4R2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F 4R5 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 4R7 methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O 4R8 (6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O 4RA [(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O 4RB 4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid +c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F 4RC n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F 4RD n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC 4RF tripalmitoylglycerol +c1ccc(cc1)OCc2cccc(c2)C(=O)O 4RG 3-(phenoxymethyl)benzoic acid +C[C@H](COCCOC)N 4RH (2~{r})-1-(2-methoxyethoxy)propan-2-amine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C 4RJ 6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C 4RK (2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2 4RL n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine +CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC 4RM (2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one +C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2 4RN (2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F 4RO n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl 4RP n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F 4RQ n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4RR (4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O 4RS trehalose mono-butyrate +CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F 4RT (1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1ccc2c(c1)c(c(nn2)C(=O)N)N 4RU 4-aminocinnoline-3-carboxamide +Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N 4RV 4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide +C1CC[C@@H]2[C@H](C1)CSC(=N2)N 4RW (4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N 4RX n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N 4RY n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide +c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N 4RZ n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N 4S0 dendron d2-1 +CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3 4S1 (1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO 4S2 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one +c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5 4S3 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one +c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br 4S4 n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine +CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O 4S7 1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O 4S8 n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO 4S9 tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO 4SA tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O 4SB (2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O 4SC 2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate) +C(C#N)C(CC#N)O 4SD 3-hydroxypentanedinitrile +CC(C)[C@@H](/C=C(/C)\C(=O)O)NC 4SF (2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O 4SG 4-thio-alpha-d-glucopyranose +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3 4SH n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(c1ccccc1)[C@@H](C(=O)O)NC 4SJ n,beta,beta-trimethyl-l-phenylalanine +CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC 4SL n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide +[S-][Mo](=S)(=S)[S-] 4SM tetrathiomolybdate +CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 4SN (6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol +c1cc(ccc1C(=O)O)S(=O)(=O)N 4SO 4-sulfamoylbenzoic acid +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N 4SP o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine +C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O 4SQ tetraglycine phosphinate +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 4SR (4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one +CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl 4SS (s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC 4ST 1,2,3,4-tetrahydrogen-staurosporine +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 4SU 4-thiouridine-5'-monophosphate +c1cncc(c1C(=O)O)N 4SV 3-aminopyridine-4-carboxylic acid +C[C@@H](CO[C@H](C)COCCOC)N 4SW (2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +c1cc(c(cc1S(=O)(=O)O)O)O 4SX 3,4-dihydroxybenzenesulfonic acid +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4SY tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4SZ tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate +CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C 4T0 n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide +c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N 4T1 (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4T2 tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate +c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N 4T3 2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine +CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C 4T4 (s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N 4T5 n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2 4T6 n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +c1ccc2cc(ccc2c1)[C@H](CO)O 4T7 (1r)-1-(naphthalen-2-yl)ethane-1,2-diol +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O 4T8 5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine +COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2 4T9 n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O 4TA p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate +c1cc(sc1)CCCC(=O)O 4TB 4-(2-thienyl)butyric acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N 4TC p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate +C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O 4TD (2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol +C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O 4TE (1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O 4TF (1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O 4TG dtdp-4,6-dideoxy-4-formamido-glucose +CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5 4TH (s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one +[Ti+4] 4TI titanium ion +CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C 4TJ 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TK n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO 4TL n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO 4TM n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide +CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 4TN (2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid +c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6 4TO (4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide +C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O 4TP 4-hydroxy-l-threonine-5-monophosphate +C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C 4TQ (3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3 4TR 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3 4TT 4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole +c1cc2c(cc1Cl)CCN2C(=O)N 4TU 5-chloranyl-2,3-dihydroindole-1-carboxamide +Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl 4TV 8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F 4TW n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide +Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C 4TX 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid +CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO 4TY tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate +c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N 4TZ 4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O 4U0 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O 4U1 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O 4U2 (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O 4U3 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO 4U5 n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO 4U6 n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide +[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O 4U7 [(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) +CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C 4U8 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid +c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F 4U9 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine +Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4 4UA 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide +c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4 4UB 3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C 4UC n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide +C1C=NO[C@@H]1[C@@H](C(=O)O)N 4UD (2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C 4UE ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate +CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O 4UF 4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid +C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N 4UG (2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile +C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O 4UH (1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid +c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl 4UJ 2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide +CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F 4UK n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide +Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F 4UL 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide +CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N 4UM ethyl 5-carbamoyl-1h-indole-2-carboxylate +Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C 4UN {4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O 4UO 2,3-dihydroxanthosine +[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N 4UP 6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide +CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N 4UQ 6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N 4UR 3'2'-cgamp +CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl 4US 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide +CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC 4UT 4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N 4UU 5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N 4UV 5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine +COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 4UW 5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N 4UX (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC 4UY (3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O 4UZ 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose +C1C=C(C=CN=C1)C[C@@H](C(=O)O)N 4V0 3-(3h-azepin-5-yl)-l-alanine +Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2 4V1 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one +c1cc(cc(c1)O)c2nnc(o2)S 4V2 3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol +c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O 4V3 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose +Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC 4V4 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O 4V5 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose +C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C 4V6 (3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F 4V7 n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide +c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3 4V8 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2 4V9 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N 4VA (2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium +c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4 4VB 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one +c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl 4VC 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F 4VD n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F 4VE n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide +c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VF 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5 4VG 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO 4VH n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide +[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O 4VI (2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid +c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O 4VJ 2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one +c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO 4VK n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F 4VL 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO 4VM 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide +c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl 4VN 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC 4VO (2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol +C=Cc1ccc(cc1)O 4VP 4-ethenylphenol +Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 4VQ 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid +CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1 4VR 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one +CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1 4VS 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2 4VT 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(cnc1)[C@H]2CC3CCN2CC3 4VU (2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane +C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2 4VV (z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine) +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N 4VW 5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +CN(CCO)c1ccc(cn1)Br 4VY 2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol +CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2 4VZ (5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F 4W0 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one +c1ccc2c(c1)c(cs2)CO 4W1 1-benzothiophen-3-ylmethanol +CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1 4W4 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCOC(=O)c1ccc2c(c1)c[nH]n2 4W5 ethyl 2h-indazole-5-carboxylate +CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 4W6 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C 4W8 (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C 4W9 (4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione +c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N 4WA 4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide +C1CCC(CC1)C[C@@H](C(=O)O)O 4WC (s)-cyclohexyl lactic acid +COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2 4WD (5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F 4WE 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O 4WF 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O 4WG 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C 4WH 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 4WI (1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cn(n1)C2CC[NH2+]CC2)Br 4WJ 4-(4-bromo-1h-pyrazol-1-yl)piperidinium +C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+] 4WK (2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium +c1csc2c1[nH]c(c2)C(=O)O 4WL 4h-thieno[3,2-b]pyrole-5-carboxylic acid +CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O 4WM (4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol +Cn1ccnc1CCN2CCc3cccc(c3C2)N 4WN 2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +COC(=O)CCN1CCc2cccc(c2C1)N 4WO methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate +COC(=O)CCN1CCc2ccccc2C1 4WP methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate +CC(C)(C)CCCC[C@@H](C(=O)O)N 4WQ (2s)-2-amino-7,7-dimethyloctanoic acid +C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F 4WR 1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O 4WS n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide +CC1(CNCc2c1cccc2)C 4WT 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline +c1cc2c(c(c1)N)CNCC2 4WU 1,2,3,4-tetrahydroisoquinolin-8-amine +C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WV bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+) +C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+] 4WW bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+) +C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 4WX bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+) +C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O 4WY {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 4WZ {[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) +c1ccc2c(c1)CCN(C2)CCCN 4X1 3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O 4X2 (2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid +CCN1CCc2c(cccc2N)C1 4X3 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine +COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5 4X4 n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide +CN1CCc2c(cccc2N)C1 4X6 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine +c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N 4X7 (2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid +Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N 4X8 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F 4X9 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4 4XA 3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC 4XB 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate +CNC(=O)CCN1CCc2cccc(c2C1)N 4XC 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide +COCCN1CCc2cccc(c2C1)N 4XD 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine +C1CCN(CC1)C(=O)CN2CC[NH2+]CC2 4XE 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium +C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+] 4XF (2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium +CN(C)CCCN1CCc2cccc(c2C1)N 4XG 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(cccn2)c(c1)Br 4XH 5-bromoquinoline +COCC(COC)N1CCc2cccc(c2C1)N 4XJ 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3 4XK 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine +c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3 4XL 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3 4XM 2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine +Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7 4XN 6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one +Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 4XO 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile +Cn1cc(nn1)CCCc2cn(nn2)C 4XP 4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole) +CCCn1cc(nn1)CCCCCc2cn(nn2)CCC 4XQ 4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole) +C1C=C(O[C@@H]([C@@H]1N)O)CN 4XR (2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol +Cc1c(nc(nc1Cl)C2CC2)Cl 4XS 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine +Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C 4XU 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)N 4XV 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine +C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C 4XW (5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid +CC1=C(C(=O)CO1)O 4XX 4-hydroxy-5-methylfuran-3(2h)-one +CCCNc1c(c(nc(n1)C2CC2)Cl)C 4XY 6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine +COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3 4Y0 3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide +Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C 4Y1 6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine +Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C 4Y2 6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine +C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F 4Y3 [[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O 4Y4 1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F 4Y5 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid +C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O 4Y6 (1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid +c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F 4Y7 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid +CC(=O)CO 4Y8 1-hydroxypropan-2-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O 4YA hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O 4YB 5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C 4YC (2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2 4YD (2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3 4YE (2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl 4YF (2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium +CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C 4YG (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC 4YH (2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile +COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3 4YI 2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide +COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 4YK 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C 4YL (2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N 4YM ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C 4YN (2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium +c1cc2c(cc1Br)NCC(=O)N2 4YO 6-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C 4YP 2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione +C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 4YQ 4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F 4YR n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide +c1ccc2c(c1)C=CNC2=O 4YS isoquinolin-1(2h)-one +CCc1nnc2n1c3cc(ccc3c(c2)C)OC 4YT 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline +Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC 4YU methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate +COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5 4YV 1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C 4YW 2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC 4YX n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 4YY n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide +c1cc(ccc1SCCC(=O)O)Cl 4YZ 3-[(4-chlorophenyl)sulfanyl]propanoic acid +c1cc(sc1)C(=O)OC=CC(=O)C(=O)O 4Z0 (3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid +c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O 4Z1 [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O 4Z2 2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide +c1ccc(c(c1)NC(=O)C=NO)Br 4Z3 (2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide +c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 2,4-dichloro-5-fluorobenzoic acid +Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F 4Z5 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N 4Z8 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O 4Z9 (2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid +c1csc2c1cc([nH]2)C(=O)O 4ZA 6h-thieno[2,3-b]pyrrole-5-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N 4ZB (3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide +c1cc(c(cc1Cl)C#N)O 4ZC 5-chloro-2-hydroxybenzonitrile +c1ccc(cc1)SC=CC(=O)O 4ZD (2e)-3-(phenylsulfanyl)prop-2-enoic acid +Cc1cc(ccc1O)N 4ZE 4-amino-2-methylphenol +c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2 4ZF (5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C 4ZG n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C 4ZH 2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC 4ZJ n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N 4ZK 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine +CCOC(=O)CNC(=O)NCc1ccccc1 4ZL ethyl n-(benzylcarbamoyl)glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 4ZM ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate +CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O 4ZN (2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid +CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C 4ZO ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate +CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2 4ZP ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O 4ZQ (1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O 4ZR (1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol +Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F 4ZS n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide +CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N 4ZT ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate +c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU 6-bromanyl-1h-indole-2-carboxylic acid +c1cc2c(cc[nH]2)cc1C(=O)O 4ZV 1h-indole-5-carboxylic acid +c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2 4ZW 2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide +c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6 4ZX 6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide +c1cc(ccc1CN)N 4ZY 4-(aminomethyl)aniline +CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N 4ZZ ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate +CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C 501 n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine +CCOC(=O)CNC(=O)NCc1ccnc(c1)N 502 ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate +COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4 503 [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 504 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide +Cc1cccc(c1OC[C@@H](C)N)C 505 (2r)-1-(2,6-dimethylphenoxy)propan-2-amine +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N 506 (2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4 507 1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone +c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6 508 (1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone +c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br 509 4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O 50A 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose +COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7 50B 13-diphenylalkyl berberine +Cc1c(n[nH]c1N)c2ccc(cc2)F 50C 3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine +c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5 50D 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile +CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3 50E n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine +c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5 50F 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile +c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N 50G dendron-d1 +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N 50H 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N 50I 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide +CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC 50J 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide +[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N 50K 2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide +C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N 50L [(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-] 50M (2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 50N (1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol +CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C 50O n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3 50P 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl 50Q 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol +CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I 50R 4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N 50T adenosine-5'-phosphovanadate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N 50U (s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6 50V n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6 50W n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F 50X (2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide +CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5 50Y n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide +C=CCNc1nc(c(s1)C(=O)c2ccccn2)N 50Z [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone +COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N 510 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate +COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O 511 [1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid +c1c(c(c(s1)C(=O)O)OCC(=O)O)Br 512 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +c1cc2c(cc1Br)c(cs2)CN 513 1-(5-bromo-1-benzothiophen-3-yl)methanamine +CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3 514 (3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O 515 3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC 516 n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide +CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N 517 1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4 518 n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide +CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C 519 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea +c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 51A n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide +CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 51B 2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one +CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO 51C (6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol +c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N 51D 3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile +c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N 51E 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile +Cc1nccn1CCO 51F 2-(2-methyl-1h-imidazol-1-yl)ethanol +C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC 51G gentamicin c1 +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N 51H adenylyl-2"-tobramycin +CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N 51J 2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3 51K 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole +Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C 51M (3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O 51N 5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose +Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C 51O au(caffein-2-ylidene)2 +C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC 51P 5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O 51Q (2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid +c1cc(cc(c1)N)C(F)(F)F 51R 3-(trifluoromethyl)aniline +Cc1ccc(c(c1)C)N 51S 2,4-dimethylaniline +c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O 51T 2,3,6-trifluoro-l-tyrosine +Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N 51U d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide +Cc1ccccc1N 51V 2-methylaniline +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I 51W n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O 51X (1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid +Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O 51Y 2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N 520 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide +c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl 521 5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C 522 peroxidized heme +CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N 523 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) +CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N 524 (2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide +CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 525 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F 526 (3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br 527 5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 528 (2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid +C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4 529 (2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide +C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O 52A (2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid +c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl 52B (2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +c1ccc(c(c1)c2[nH]nnn2)Cl 52C 5-(2-chlorophenyl)-1h-tetrazole +c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3 52D pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F 52E 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol +c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O 52F 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N 52G zorbamycin +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 52H 5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine +CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one +CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N 52J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl 52K n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O 52L dahp oxime +c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 52M 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC 52N 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate +CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 52O pivalyl-coenzyme a +c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl 52P 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one +c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N 52Q (1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F 52R n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine +CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 52T (4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC 52U (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C 52V 5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52W (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC 52X methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate +COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC 52Y methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC 52Z (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4 530 6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CC(=O)[C@H]1CCCN(C1)Cc2ccccc2 531 1-[(3s)-1-benzylpiperidin-3-yl]ethanone +CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4 532 (5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one +C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C 533 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N 534 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine +CCOC(=O)c1c(n2ccnc2s1)C 535 ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate +c1ccc(cc1)CN2CCCC(=C2)C(=O)N 536 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O 537 2,6-dihydroanthra/1,9-cd/pyrazol-6-one +CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C 538 4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid +c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl 539 6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine +CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC 53A ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate +c1cc(nc(c1)O)C(=O)O 53B 6-hydroxypyridine-2-carboxylic acid +CC(=O)c1cccc(c1)O 53C 1-(3-hydroxyphenyl)ethanone +CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C 53D 1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide +c1cc(c2c(c1)OCCO2)C(=O)O 53E 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N 53F (3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate +CN(C)C(=O)c1ccc2c(c1)nccn2 53G n,n-dimethylquinoxaline-6-carboxamide +CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 53H 5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine +CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53I (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C 53J (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4 53K 2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol +C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O 53L (2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-] 53M (2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one +c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O 53N 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid +c1ccc(cc1)c2cccc(c2)n3ccnc3 53O 1-(biphenyl-3-yl)-1h-imidazole +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 53P (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile +CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3 53Q clomifene +Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3 53R 5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C 53S 5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53T 5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N 53U d-phenylalanyl-n-benzyl-l-prolinamide +Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C 53V 5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC 53W 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole +CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O 53X 3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +c1ccc-2c(c1)NC(=O)c3n2ccc3 53Y pyrrolo[1,2-a]quinoxalin-4(5h)-one +c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N 53Z 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C 540 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline +Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C 541 (2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 542 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] 543 calcium ion, 6 waters plus ethanol coordinated +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C 544 2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N 545 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester +Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C 546 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine +c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5 547 2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine +Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C 548 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline +CC(C)n1cnc2c1ccc(c2)C(=O)O 549 1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid +CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F 54B 1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea +CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O 54C (betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan +COC(=O)c1cccs1 54D methyl thiophene-2-carboxylate +c1ccc(cc1)c2ccc(cc2Cl)CN 54E 1-(2-chlorobiphenyl-4-yl)methanamine +c1ccnc(c1)Oc2cccc(c2)N 54F 3-(pyridin-2-yloxy)aniline +Cc1ccc(c(c1)C(=O)O)O 54G 2-hydroxy-5-methylbenzoic acid +CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 54H 5'-o-(d-valylsulfamoyl)adenosine +C(/C=N/O)C(=O)O 54I (3e)-3-(hydroxyimino)propanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F 54J n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +Cc1cnc(c2c1nc[nH]2)N 54K 7-methyl-3h-imidazo[4,5-c]pyridin-4-amine +C#CCCC(=O)O 54L pent-4-ynoic acid +COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4 54M (5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine +Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F 54N 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one +C(CO)CS(=O)(=O)O 54O 3-hydroxypropane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCO 54P 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol +C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-] 54Q (2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione +CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 54R n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O 54S n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide +c1cc2c(cc1Cl)sc(n2)N 54T 6-chloro-1,3-benzothiazol-2-amine +CC(=O)N1CCN(CC1)c2ccc(cc2)O 54U 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone +CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC 54V methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate +CC(=O)NCCc1ccccc1 54W n-(2-phenylethyl)acetamide +c1cc(sc1)c2csc3c2C(=O)N=CN3 54X 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one +CNC(=O)c1cnn(c1Cl)C 54Y 5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide +c1cc(c(cc1CN)Cl)OC(F)(F)F 54Z 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine +Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC 550 methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate +COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate +c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F 552 (6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one +c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N 553 (7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O 555 4-(4-hydroxyphenyl)-1-naphthaldehyde oxime +c1cc(sc1)c2cnc3n2CCC3 556 3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO 557 n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide +Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 558 5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N 559 5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 55A n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide +COc1cc(cc(c1O)OC)/C=C/CO 55B 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol +C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2 55C 2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid +CCCC(=O)Nc1c(ccs1)C(=O)N 55D 2-(butanoylamino)thiophene-3-carboxamide +Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3 55E 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one +Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F 55F n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide +c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5 55G 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4 55H 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F 55I 4-(trifluoromethyl)-l-phenylalanine +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F 55J 1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O 55K 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 55L (r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate +C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3 55M (4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one +CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC 55N (2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid +C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O 55P (2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid +CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C 55Q (2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid +c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2 55R 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid +CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 55S 6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine +CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O 55T 5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine +CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN 55U n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine +Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC 55V 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine +Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC 55W 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 55X s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) +C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C 55Y (5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one +CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N 55Z 5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O 561 6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N 562 n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C 563 n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C 564 6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid +C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 565 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one +c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 566 (3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N 567 2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO 568 n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F 569 (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one +c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N 56A 3-(8-phenyloctyl)-l-histidine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O 56B 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N 56C n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine +C[C@H](c1ccccc1)C(=O)C(=O)O 56D (3r)-2-oxo-3-phenylbutanoic acid +CCOC(=O)CNC(=O)c1cc(sc1)C 56E ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate +CNS(=O)(=O)Cc1ccc(cc1)Cl 56F 1-(4-chlorophenyl)-n-methylmethanesulfonamide +Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C 56G n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide +CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 56H n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide +c1ccc2c(c1)-c3ccccc3C2CCC=O 56J 3-(9h-fluoren-9-yl)propanal +Cc1nc(cs1)c2cccc(c2)N 56K 3-(2-methyl-1,3-thiazol-4-yl)aniline +CC(C)C1C(=O)NC(=S)NC1=O 56L 5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O 56M 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 56N phenyl beta-d-galactopyranoside +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N 56O n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO 56P n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO 56Q n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide +Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO 56R n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide +CCCCCCCCCCCC(=O)OC(C)C 56S propan-2-yl dodecanoate +c1cc(oc1)CCN 56T 2-(furan-2-yl)ethanamine +c1ccc2c(c1)[nH]c(n2)C(F)F 56U 2-(difluoromethyl)-1h-benzimidazole +c1ccc2c(c1)nc3n2[C@@H](CS3)O 56V (3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol +CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O 56W (2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid +CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C 56Y 4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 56Z 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5 570 2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O 571 5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium +CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO 572 4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide +C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide +B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O 574 [(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite +c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br 575 (4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione +c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O 576 (3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid +CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 577 4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O 578 (5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C 579 4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide +CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C 57C 4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O 57D chrysin +CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C 57E 1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide +CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C 57F 4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO 57G n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide +C=CCP(=O)(O)O 57H prop-2-en-1-ylphosphonic acid +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C 57J 6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C 57K tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate +Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C 57L 2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate +CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O 57M muraymycin d2 +c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O 57N (2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +Cc1c(nc(c(c1O)C)O)CC(=O)O 57O (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid +c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 57P 3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid +c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O 57Q 3-(2-phenyl-1h-indol-1-yl)propanoic acid +CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 57R (4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O 57S 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol +c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I 57T (2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO 57U 1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea +CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3 57V 1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea +CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4 57W 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea +CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O 57X 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one +CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O 57Y 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid +Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C 57Z 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea +Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F 580 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole +CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O 581 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O 582 5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one +c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O 583 4,4'-(1h-pyrazole-3,4-diyl)diphenol +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 584 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C 585 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC 586 n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide +CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C 587 c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C 588 2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid +c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6 589 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC 58A 5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N 58B l-alanyl-d-alpha-glutamine +c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5 58C cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC 58D (3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4 58E (5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I 58F p-iodo hoechst +c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N 58G 6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide +COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O 58H methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate +C(CC[NH3+])C[NH3+] 58I 4-azaniumylbutylazanium +CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O 58J 4-methoxydehydrocyclopeptin +CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 58K cyclopeptin +c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2 58L demethylated cyclopeptin +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C 58N (4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N 58O 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N 58P 1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile +Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N 58Q 6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N 58R 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide +CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2 58T 13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one +C[C@@H](CC(=O)C(=O)O)C(=O)CC=O 58U (4s)-4-methyl-2,5,7-trioxoheptanoic acid +c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6 58V (2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl 58W n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide +CC(=CCC/C(=C/C(=O)O)/C)C 58X (2e)-3,7-dimethylocta-2,6-dienoic acid +C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O 58Y (2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O 58Z 1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N 590 9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 591 (5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one +Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5 592 n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide +CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4 593 (5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N 594 9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine +C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC 595 n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O 596 (2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O 598 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid +c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl 599 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 59A n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine +c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5 59B morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC 59C [(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 59D (7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC 59E methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O 59F (2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O 59G 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C 59H (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O 59J (2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F 59K 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O 59L 2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F 59M 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N 59N 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F 59Q 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N 59R 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC 59S (2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC 59T 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C 59U 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F 59V 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine +c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N 59W 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C 59X 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine +c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O 59Y 8-(naphthalen-1-yl)quinoline-2-carboxylic acid +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O 59Z {2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C 5A0 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine +CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C 5A1 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine +C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A2 3,5-di-methylenebisphosphonate inositol tetrakisphosphate +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 5A3 methylenebisphosphonate inositol pentakisphosphate +C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN 5A6 (2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O 5A7 {(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5A8 5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5A9 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O 5AA n6-dimethyl-3'-amino-adenosine-5'-monophosphate +[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O 5AB [(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate +c1[nH]c(c(n1)C(=O)N)N 5AC 5-amino-1h-imidazole-4-carboxamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5AD 5'-deoxyadenosine +C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N 5AE 4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one +CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N 5AF 2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan +C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N 5AG 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC 5AH methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N 5AJ 5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine +c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AK 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine +C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 5AL 5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O 5AM benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate +c1c(cc(cc1F)F)N 5AN 3,5-difluoroaniline +c1cc(cc(c1)N)c2cnco2 5AO 3-(1,3-oxazol-5-yl)aniline +COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl 5AP 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine +c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N 5AQ 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine +C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N 5AR (2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid +CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O 5AS 5'-o-(n-ethyl-sulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O 5AT 5'-amino-5'-deoxythymidine +c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N 5AU di-glutathione-phenylarsine +Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl 5AV 5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine +C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C 5AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO 5AX 2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol +Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5 5AY n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine +C1=NC(=O)NC(=N1)N 5AZ 6-amino-1,3,5-triazin-2(1h)-one +Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O 5B0 {2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid +c1cc2c(cc1Br)c(n[nH]2)N 5B1 5-bromo-1h-indazol-3-amine +c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B2 5-phenyl-1h-indazol-3-amine +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N 5B3 4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide +Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F 5B4 n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide +CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O 5B5 (3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O 5B6 [5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC 5B7 (3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O 5B8 (1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate +c1ccc2c(c1)cccc2COc3ccccc3C(=O)O 5B9 2-(naphthalen-1-ylmethoxy)benzoic acid +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C 5BA 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one +CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br 5BB 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one +CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5 5BC (5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid +CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C 5BD n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] +Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C 5BE 3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide +c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2 5BF (11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5 5BG {3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid +COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N 5BH (2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide +c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O 5BJ 4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O 5BK 1h,1'h-4,4'-biindole-2-carboxylic acid +c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5 5BL 8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid +c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N 5BM (2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile +c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN 5BN 5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C 5BO 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4 5BP n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O 5BQ 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione +CCCCCBr 5BR 1-bromopentane +CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C 5BS 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O 5BT 5-bromo-2'-deoxycytidine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br 5BU 5-bromo-uridine-5'-monophosphate +CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN 5BV (2r,3r)-3-(glycyloxy)-2-methylnonanoic acid +c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O 5BW (2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC 5BX (5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O 5BY {2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O 5BZ [(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid +c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O 5C0 (2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one +c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl 5C1 5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide +CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1 5C2 1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide +c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN 5C3 4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5C4 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol +COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N 5C5 (2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5 5C6 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C 5C7 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3 5C8 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C 5C9 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N 5CA 5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine +c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl 5CB n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4 5CC 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N 5CD 5'-chloro-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O 5CE (1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F 5CF 5-fluorocytidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N 5CG 5'-chloro-5'-deoxy-guanosine +Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C 5CH 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N 5CI 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F 5CJ (1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O 5CK (1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl 5CL 1,2,3,4,5-pentachlorobenzene +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5CM 5-methyl-2'-deoxy-cytidine-5'-monophosphate +CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO 5CN 5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C 5CO 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4 5CP [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O 5CQ (1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol +CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 5CR n-acetyl-l-phenylalanine +C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 5CS 2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid +C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N 5CT hypusine +C1=C(C(=O)NC(=O)N1)C(=O)O 5CU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid +CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5 5CV 1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N 5CW 5-chloro-l-tryptophan +CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N 5CX 2'-(propan-2-yl)biphenyl-4-sulfonamide +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C 5CY 1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium +[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N 5CZ 2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide +c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4 5D0 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine +Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C 5D1 n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide +Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl 5D2 n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide +CC(=O)NCCCCCCNC(=O)C 5D4 n-(6-acetamidohexyl)acetamide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 5D5 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid +C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C 5D6 orthoformimycin +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N 5D7 prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate +[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N 5D8 ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC 5D9 ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate +[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC 5DA 1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine +CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5DB 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5DD [(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C 5DE 1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O 5DF 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol +CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F 5DG 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol +c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N 5DH 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile +C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O 5DI alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride +c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O 5DJ 4,4'-(2-phenylethene-1,1-diyl)diphenol +[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O 5DK (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine +c1ncn(n1)C[C@@H](CP(=O)(O)O)O 5DL [(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N 5DM n-[(2s)-2-amino-3-phenylpropyl]-d-methionine +c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid +C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O 5DP 5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide +c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F 5DQ n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3 5DR 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N 5DS (r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F 5DT 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F 5DU 2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N 5DV methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate +C#Cc1ccc(cc1)C[C@@H](C(=O)O)N 5DW 4-ethynyl-l-phenylalanine +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br 5DX 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid +c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5DY 5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid +c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F 5DZ 5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid +c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N 5E0 5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O 5E1 2-(3-bromophenyl)quinoline-4-carboxylic acid +c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O 5E2 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br 5E4 2-[(3-bromophenyl)amino]benzoic acid +Cc1c2cc(ncc2n[nH]1)c3cccnc3 5E5 3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine +c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5 5E6 (1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O 5E7 n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2 5E8 ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N 5E9 ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4 5EA 5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3 5EB ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C 5EC ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3 5ED ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl 5EE 5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine +c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 5EF 3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl 5EG 2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide +CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 5EH (3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5EJ 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one +c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl 5EK n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide +c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5 5EL 4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N 5EM n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O 5EN 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide +CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C 5EO 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N 5EP n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide +c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O 5EQ (2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O 5ER (2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid +c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O 5ES 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol +c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O 5ET 4,4'-thiene-2,5-diylbis(3-chlorophenol) +Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O 5EU 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) +Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC 5EV n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine +Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC 5EW 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3 5EX ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O 5EY (3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2 5EZ 7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N 5F1 5'-fluoro-2',5'-dideoxyadenosine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C 5F2 ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3 5F3 3,5-di(pyridin-4-yl)benzoic acid +CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl 5F4 4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide +c1cc(cc(c1)C(=O)O)c2nccs2 5F5 3-(1,3-thiazol-2-yl)benzoic acid +c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl 5F6 (2,6-dichlorophenyl)(quinolin-6-yl)methanone +CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl 5F7 n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine +c1cc(cc(c1)C(=O)O)c2cccnc2 5F8 3-(pyridin-3-yl)benzoic acid +CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 5F9 arachinoyl-coa +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N 5FA adenosine-5'-pentaphosphate +COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3 5FB 4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O 5FC 5-formyl-2'-deoxy-cytidine-5'-monophosphate +[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O 5FD 5'-fluoro-5'-deoxyadenosine +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FE 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F 5FF (5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2 5FH (5s)-5-benzylimidazolidine-2,4-dione +CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F 5FI 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole +CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F 5FJ n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F 5FK (5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(cc(c1)C(=O)O)c2ccncc2 5FL 3-(pyridin-4-yl)benzoic acid +CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O 5FN (3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C 5FO 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O 5FP 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid +CCCCCNC(=O)[C@H](C)N 5FQ n-pentyl-l-alaninamide +Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C 5FR 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide +Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O 5FS 3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione +Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O 5FT phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F 5FU 5-fluoro-uridine-5'-monophosphate +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O 5FV phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(C)NC[C@@H](c1ccc(c(c1)O)O)O 5FW isoprenaline +C([C@H]([C@@H](C(=O)CO)O)O)F 5FX 5-deoxy-5-fluoro-d-xylulose +Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O 5FY 4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 5G0 (z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +c1ccc(c(c1)C(=O)NN)Cl 5G1 2-chlorobenzohydrazide +c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O 5G2 3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl 5G3 4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O 5G4 4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol +c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl 5G5 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol +c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G6 4,4'-(phenylcarbonimidoyl)diphenol +Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O 5G7 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol +c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2 5G8 1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole +c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5G9 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1 5GA 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4 5GB 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine +CC(C)S(=O)(=O)c1c(n[nH]c1SC)N 5GC 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine +Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one +C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O 5GF 5-fluoro-beta-d-glucopyranose +C(CCNCCCCN)C[C@@H](C(=O)O)N 5GG deoxyhypusine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2 5GH ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate +Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O 5GI ~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O 5GJ [(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone +c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4 5GK 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C 5GL 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one +CC[C@H](C)C[C@@](C)(C(=O)O)N 5GM (4s)-2,4-dimethyl-l-norleucine +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C 5GN n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O 5GO 4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 5GP guanosine-5'-monophosphate +CC1=CN2CC(CN=C2C=C1)O 5GQ 7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol +Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C 5GR n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O 5GS 2'-c-methyluridine 5'-(trihydrogen diphosphate) +c1cc2c(cc1C(F)(F)F)NC(=O)CN2 5GT 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one +c1cc2c(cc1Br)NC(=O)CN2 5GU 7-bromo-3,4-dihydroquinoxalin-2(1h)-one +CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O 5GV (2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid +c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 5GW 5-phenyluridine 5'-(trihydrogen diphosphate) +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5 5GX 7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O 5GY 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-] 5GZ 4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br 5H 5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC 5H0 (2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate +c1cc2c(cc[nH]2)cc1O 5H1 1h-indol-5-ol +COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl 5H2 methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F 5H3 n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F 5H4 n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide +C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C 5H5 (2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide +c1cc(sc1c2cc(no2)C(=O)O)Cl 5H6 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid +C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F 5H7 n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 5H8 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 5H9 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O 5HA n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide +CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HB n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O 5HC 2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +C(CCO)CC(CCCCO)CCO 5HD 5-(2-hydroxyethyl)nonane-1,9-diol +CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O 5HE (5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid +COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3 5HF n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide +c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N 5HG {[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid +c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3 5HH n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide +CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3 5HI (3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3 5HJ (2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one +CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-] 5HK 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide +CCc1cccc2c1NC(=O)C(=C2)CNC3CC3 5HL 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO 5HM 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate) +c1c(cncc1O)C(=O)O 5HN 5-hydroxypyridine-3-carboxylic acid +c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2 5HO n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide +C1CC(=O)N[C@@H]1C(=O)O 5HP pyroglutamic acid +c1cc(oc1)c2ccc(cn2)CN 5HQ 1-[6-(furan-2-yl)pyridin-3-yl]methanamine +c1ccc(cc1)CNC[C@H](N)P(=O)(O)O 5HR [(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid +Cc1conc1CCc2cccnc2 5HS 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O 5HT 5-hydroxy-thymidine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O 5HU 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F 5HV n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide +C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5HW 4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol +c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5HX 4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol +C([C@@H]1C(=O)NC(=O)N1)C(=O)O 5HY [(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid +c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O 5HZ 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl 5I1 n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide +c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N 5I4 ~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O 5I5 7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO 5IB ~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I 5IC 5-iodo-cytidine-5'-monophosphate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I 5ID (2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC 5IG 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O 5II methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O 5IJ (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate +CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO 5IK 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one +c1c(nc(s1)N2CCCCC2)N 5IM 2-(1-piperidinyl)-1,3-thiazol-4-amine +c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3 5IN n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C 5IO 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5IP (1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc2cnccc2c(c1)N 5IQ isoquinolin-5-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4 5IR [n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii) +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC 5IS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IT 5-iodo-thymidine-5'-phosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O 5IU 5-iodo-2'-deoxyuridine-5'-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 5IW (2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O 5IX (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 5IZ (2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide +c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 5J0 3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol +c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O 5J1 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol +c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O 5J2 4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol +c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O 5J4 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O 5J5 2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid +COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4 5J6 methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O 5J7 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 5J8 [[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N 5J9 3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine +C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC 5JA (5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine +C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C 5JB (25s)-3-oxocholest-4-en-26-oyl-coa +c1cc(c(cc1Cl)Cl)O 5JC 2,4-dichlorophenol +c1cc(c(cc1O)Cl)Cl 5JD 3,4-dichlorophenol +c1ccc2c(c1)[nH]c(n2)n3ccnc3 5JE 2-imidazol-1-yl-1h-benzimidazole +c1cc(c(c(c1)Cl)Cl)O 5JF 2,3-dichlorophenol +COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4 5JG 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine +CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C 5JH (1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate +CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl 5JJ n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C 5JK 7alpha-hydroxycholesterol +C12=C(NC(=S)N1)NC(=S)NC2=O 5JL 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl 5JM 4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C 5JN 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate +C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O 5JO 2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate) +CN[C@@H](CO)C(=O)O 5JP n-methyl-l-serine +C12=C(NC(=O)N1)NC(=S)NC2=O 5JQ 2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione +CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC 5JR n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC 5JS (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N 5JT (3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine +Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6 5JU n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O 5JV 4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid +c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl 5JW {[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid +c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O 5JX 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol +CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5JY 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol +CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC 5JZ n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide +CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K0 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol +CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K1 4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol +c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5K2 4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol +CO[C@@H](CCc1ccc(cc1)O)O 5K3 4-[(3s)-3-hydroxy-3-methoxypropyl]phenol +CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 5K4 4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O 5K5 4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol +COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1 5K7 methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate +COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC 5K8 dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate +c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O 5KA 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol +c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KB 4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol +C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O 5KC (2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid +COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 5KD 4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O 5KE 4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O 5KF 4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O 5KG 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O 5KH n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide +C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2 5KI (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate +[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N 5KJ n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine +C1CNCN2CNCCNCN(CN1)CNCCNC2 5KK 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane +CN(C)/C=C/C(=O)c1ccccc1O 5KL (2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one +c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O 5KM 2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid +c1cc(c(cc1N2CCOCC2)N3CCOCC3)N 5KN 2,4-di(morpholin-4-yl)aniline +C[C@H](CC=O)O 5KO (3r)-3-hydroxybutanal +Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C 5KP n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide +CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O 5KQ (6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid +Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O 5KR 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F 5KS 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O 5KT 3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside +CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N 5KU (6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O 5KV 2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl 5KW 2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide +c1cnc([nH]1)Cl 5KX 2-chloro-1h-imidazole +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O 5KY 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid +CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C 5KZ (1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5 5L0 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone +CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O 5L2 methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate +CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O 5L3 (6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N 5L4 3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide +C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC 5L5 (1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate +CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN 5L6 n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine +Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O 5L7 2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol +c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L8 (2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl 5L9 (2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol +c1c2cc(sc2[nH]c1C(=O)O)Cl 5LA 2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid +c1c(nnn1CCN)C[C@@H](C(=O)O)N 5LB (2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O 5LC n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) +c1ncn(n1)C[C@H](CP(=O)(O)O)O 5LD [(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid +c1c(nnn1CCCN)C[C@@H](C(=O)O)N 5LE (2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid +c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N 5LF (2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LG (phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO 5LH (phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O 5LI 2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO 5LJ (phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate +CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O 5LK 4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol +c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LL 5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O 5LM 5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione +C(O)[Ru](CO)(O)(O)Cl 5LN chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium +CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C 5LO 4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid +Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O 5LP 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid +CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl 5LQ 5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl 5LR 5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O 5LS 2,4-di-o-sulfo-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 5LT 3,4-di-o-sulfo-alpha-d-glucopyranose +CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 5LU prochloraz +CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO 5LV 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one +C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LW 1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LX 1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LY 1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl 5LZ 1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole +Cc1ccc(c(c1)C(=O)O)N 5M0 2-azanyl-5-methyl-benzoic acid +Cc1ccc([nH]1)C(=O)O 5M1 5-methyl-1h-pyrrole-2-carboxylic acid +Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O 5M2 (~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4 5M6 1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide +c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl 5M7 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid +Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O 5M8 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid +Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl 5M9 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine +c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine +Cc1ccc2c(c1)[nH]cn2 5MB 5-methylbenzimidazole +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MC 5-methylcytidine-5'-monophosphate +CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O 5MD 2'-deoxy-1-methyl-pseudouridine +C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 5ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide +CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C 5MF 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine +c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 5MG 3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one +CC1=CN(C(=S)C=C1)O 5MH 1-hydroxy-5-methylpyridine-2(1h)-thione +Cc1ccc2c(c1)cc[nH]2 5MI 5-methyl indole +CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC 5MJ 3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide +c1cc(c(cc1Cl)C(=O)N)N 5MK 2-azanyl-5-chloranyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4 5ML 3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide +CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 5MM 2-o-methyl-1,6-di-o-phosphono-d-mannitol +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5 5MN ~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5 5MO n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +Cc1cc[nH]c1 5MP 5-methylpyrrole +Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5 5MQ n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide +c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N 5MR nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide +Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3 5MS n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide +C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N 5MT 4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 5MU 5-methyluridine 5'-monophosphate +C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC 5MV 3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid +c1c(nnn1CCC[C@@H](C(=O)O)N)CN 5MW (2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid +c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N 5MX benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O 5MY myo-inositol-(1,3,4,5,6)-pentakisphosphate +c1cc(cc(c1)N)c2nc(on2)CCl 5MZ 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C 5N0 3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4 5N1 6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine +c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N 5N2 2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile +CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C 5N3 ~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C 5N4 ~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5N5 5'-amino-5'-deoxyadenosine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O 5N6 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N 5N7 (13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide +C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F 5N8 4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one +Cc1cccc2c1ccc(c2C(=O)O)O 5NA 2-hydroxy-5-methyl naphthoic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N 5NB 5'-amino-8-bromo-5'-deoxyadenosine +C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O 5NC 5-aza-cytidine-5'monophosphate +c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3 5ND 5-(2-naphthylmethyl)-d-hydantoin +Cc1cccc2c1cccc2C(=O)O 5NE 5-methylnaphthalene-1-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O 5NG [[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C 5NH 1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate +c1cc2c(cc1[N+](=O)[O-])cn[nH]2 5NI 5-nitroindazole +Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O 5NJ 6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid +Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN 5NK 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol +c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3 5NL 5-(2-naphthylmethyl)-l-hydantoin +CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br 5NM 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one +c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5NN 5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one +c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5 5NO 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one +c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl 5NP (9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one +CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C 5NQ 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione +c1ccc(cc1)CC2CCN(CC2)CCN 5NR 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine +c1cc2c(cccc2S(=O)(=O)O)c(c1)N 5NS 5-aminonaphthalene-1-sulfonic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O 5NT 2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] 5NU 5-nitrouracil +CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N 5NV 8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C 5NW n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine +c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O 5NX 3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7 5NY 2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N 5NZ 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O0 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5 5O1 ~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N 5O2 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl 5O3 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2 5O4 4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine +c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl 5O5 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole +C/C(=C\C(=O)O)/c1ccc(cc1)OC 5O6 (~{e})-3-(4-methoxyphenyl)but-2-enoic acid +Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC 5O7 ~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O 5O8 ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl 5OA 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine +COc1ccc2c(c1)[nH]cn2 5OB 5-methoxybenzimidazole +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O 5OC 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) +CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N 5OD 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine +Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C 5OE ~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine +c1ccc2c(c1)C(=NNC2=O)CC(=O)O 5OF 2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid +c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO 5OG belinostat +C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N 5OH (2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3 5OI (1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine +c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO 5OJ 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO 5OK oxamflatin +CC(NCCCC[C@@H](C(=O)O)N)(O)O 5OL n~6~-(1,1-dihydroxyethyl)-l-lysine +C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O 5OM (2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid +c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O 5ON (~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid +c1cc(c(cc1Cl)Cl)/C=C/C(=O)O 5OO (~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid +CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O 5OP (5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid +Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC 5OQ ~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine +c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O 5OR 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol +c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O 5OS 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol +c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N 5OT 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl 5OU 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O 5OW (2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O 5OX (7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid +C(C[C@@H](C(=O)O)N)CP(=O)(O)O 5OY 5-phosphono-l-norvaline +CC(C)C=O 5OZ 2-methylpropanal +c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O 5P1 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol +CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F 5P2 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide +c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O 5P3 5-chloro-4-hydroxybiphenyl-3-carboxylic acid +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C 5P4 propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC 5P5 (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N 5P6 2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile +c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO 5P7 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F 5P8 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl 5P9 n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O 5PA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid +c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl 5PB 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one +CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PC 5(1-propynyl)-2'-deoxycytidine-5'-monophosphate +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O 5PD (r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate +COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3 5PE (2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O 5PF (1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CN[C@@H](c1ccc(cc1)O)C(=O)O 5PG (2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2 5PH 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid +CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC 5PI n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4 5PJ 1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone +c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O 5PK (1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol +CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C 5PL (1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate +c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4 5PM 4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline} +Cc1c(c2c(cn1)C(=O)OC2)O 5PN 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one +CCCCCc1ccc(c(c1)O)Oc2ccccc2 5PP 5-pentyl-2-phenoxyphenol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O 5PQ 3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione +Cc1c(c(c(cn1)C(=O)O)CO)O 5PR 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F 5PS (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide +c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O 5PU 4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +c1ccc(cc1)CCCCC(=O)O 5PV 5-phenylvaleric acid +CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-] 5PW n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide +c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3 5PX 4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5PY 1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one +[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C 5PZ (1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol +c1cc2c(cccn2)c(c1)O 5Q0 quinolin-5-ol +c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O 5Q1 4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl 5Q2 4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N 5Q3 4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC 5Q4 4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide +Cc1ccccc1NC(=S)N 5Q5 1-(2-methylphenyl)thiourea +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O 5Q6 [2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +CC(C)Cc1nc(c(o1)N)C#N 5Q7 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile +c1ccc(cc1)Cc2nc(c(o2)N)C#N 5Q8 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile +CC(=O)N(C)Cc1c(cccc1Cl)Cl 5Q9 ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide +c1cc(c(c(c1)Cl)CNC(=O)CO)Cl 5QA ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide +CC(=O)NCc1c(cccc1OC)OC 5QB ~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O 5QC 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one +CC(=O)NCc1c(cccc1Cl)Cl 5QD ~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide +C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C 5QE ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide +CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C 5QG 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O 5QH ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N 5QI n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O 5QJ (2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol +c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O 5QK ~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide +c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O 5QL ~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide +c1cc(cc2c1ccnc2)C#CCO 5QM 3-(isoquinolin-7-yl)prop-2-yn-1-ol +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C 5QN methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate +Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O 5QO macrocyclic quinoxaline-pyrrolodihydropiperidinone +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O 5QP (1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F 5QQ 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O 5QR 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid +CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O 5QS 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol +CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S 5QT 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate +Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4 5QU (2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4 5QV (4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3 5QW ~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide +CN1c2ccccc2NCC1=O 5QX 1-methyl-3,4-dihydroquinoxalin-2-one +C[C@H]1C(=O)Nc2ccccc2N1 5QY (3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one +CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 5QZ 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid +CC(C)(C)c1ccc(cc1)C(=O)O 5R0 4-~{tert}-butylbenzoic acid +COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N 5R1 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6 5R2 2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +COC(=O)[C@H](CO)N 5R5 methyl l-serinate +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O 5R6 nogalamycin ro +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N 5R7 (2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN1CCCN(CC1)Cc2ccc(cc2)CN 5R8 [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine +CN1CCCN(CC1)Cc2ccc3c(c2)cccn3 5R9 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline +CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C 5RA 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C 5RB 5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid +CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F 5RC ~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide +CCCCNCc1ccc(cc1)S(=O)(=O)N 5RD 4-(butylaminomethyl)benzenesulfonamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O 5RE (2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC 5RF (2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide +c1cc(c(cc1F)C(=O)O)N 5RG 2-amino-5-fluorobenzoic acid +C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O 5RH cytochalasin b +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 5RI n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide +CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O 5RL 6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol +CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C 5RM (5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one +CC(=O)c1c[nH]c2c1cccc2 5RN 1-(1~{h}-indol-3-yl)ethanone +Cc1cccc2c1[nH]cc2C(=O)C 5RO 1-(7-methyl-1~{h}-indol-3-yl)ethanone +C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O 5RP ribulose-5-phosphate +CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5RQ 1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5 5RS ~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5 5RT 1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F 5RU 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N 5RV 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile +c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F 5RW 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl 5RX 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one +c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N 5RY 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile +c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br 5RZ 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N 5S4 [(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C 5S5 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide +Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C 5S6 ~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O 5S7 (2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol +Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC 5S8 ~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide +Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F 5S9 ~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO 5SA acarbose derived pentasaccharide +CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3 5SB ~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide +Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-] 5SC 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 5SD 5alpha-androstan-3,17-dione +C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 5SE 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) +CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC 5SF ~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine +c1cc2cnccc2c(c1)O 5SG isoquinolin-5-ol +c1ccc(cc1)c2ccncc2 5SH 4-phenylpyridine +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O 5SI 2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione +CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C 5SJ ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate +CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C 5SK ~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine +Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4 5SL ~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F 5SM 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine +Cc1cc2nnc(n2c3c1cccc3)C 5SN 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC 5SO fusicoccin a-thf derivative +C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O 5SP 5-o-phosphono-d-xylulose +c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 5SQ 2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-] 5SR [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN 5SS 4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN 5ST methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 5SU methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate +CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5SV [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate +CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC 5SW 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O 5SY [(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate +Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F 5SZ 6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one +CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5T0 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one +C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O 5T1 6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one +c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3 5T2 2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CCN(CCCC[C@@H](C(=O)O)N)C(C)C 5T3 n~6~-ethyl-n~6~-propan-2-yl-l-lysine +c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3 5T4 ~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F 5T5 [(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone +Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl 5T6 (4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine +C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl 5T7 (1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide +C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl 5T8 (5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine +[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O 5T9 (2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN 5TA (5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one +CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 5TB 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one +c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4 5TC 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide +c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3 5TD 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile +c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3 5TE 3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide +C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C 5TF (s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine +CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 5TG ~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O 5TH [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O 5TI 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O 5TJ [(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O 5TK (2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol +c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N 5TL 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O 5TM [(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate +CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C 5TN (2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid +C1CCC(C1)CCC(=O)N2CCCC2 5TO 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one +c1csc(n1)C(=O)CC[C@H]2CCCCN2 5TP 3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O 5TQ 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C 5TR [(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate +c1cc(sc1c2ccno2)S(=O)(=O)O 5TS 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid +CNCc1ccc(cc1)N2CCCCC2 5TT ~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine +CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N 5TU 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O 5TW 3-oxo-23,24-bisnorchol-4-en-22-oyl-coa +C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O 5TX ((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid +CN1C=Cc2c(cnc(n2)N(C)C)C1=O 5TY 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one +c1cnc(cc1C(=O)O)c2csc(n2)N 5TZ 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C 5U0 s-farnesyl-l-cysteine methyl ester +Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C 5U1 2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC 5U2 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one +C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O 5U3 3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one +Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C 5U4 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one +CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C 5U5 3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide +CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC 5U6 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC 5U7 5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide +CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F 5U8 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2 5U9 ~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N 5UA 5'-o-carboxy-2'-deoxyadenosine +c1cnc(c2c1C(=O)NC=N2)c3cscn3 5UB 8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1=C(C(=O)NC(=O)N1)Cl 5UC 5-chloropyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F 5UD 5-fluorouridine +C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+] 5UE [(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium +CCCCCCC[C@@H](CC(=O)O)O 5UF (3~{s})-3-oxidanyldecanoic acid +CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O 5UG [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate +COc1ccc(cc1c2ccccc2)CC(=O)O 5UH 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid +CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5UI 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl 5UJ 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O 5UK 2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid +c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UL 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N 5UM n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N 5UN n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide +c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl 5UO 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cnc(cc1C(=O)N)c2csc(n2)N 5UP 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide +Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC 5US 3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide +CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C 5UT 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one +c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F 5UU 6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F 5UV 7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3 5UW ~{n}-(3,3-diphenylpropyl)piperidin-4-amine +c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F 5UX 6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine +COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N 5UY methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate +CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 5UZ 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid +c1cc(oc1)CNCc2cc(ccn2)C(=O)O 5V0 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid +c1ccc(cc1)CNCc2cc(ccn2)C(=O)O 5V1 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid +CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F 5V2 n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3 5V3 8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 (1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol +COc1ccc(cc1c2cccs2)CC(=O)O 5V5 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid +COc1ccc(cc1c2ccsc2)CC(=O)O 5V6 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid +c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N 5V7 8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O 5V8 2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide +c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O 5VC 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid +C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O 5VD methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate +[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VE ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N 5VF ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC 5VG ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl 5VH ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide +CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C 5VI (2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2 5VJ 6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide +CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O 5VK ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate +c1ccc(c(c1)c2ccccc2O)O 5VL 2-(2-hydroxyphenyl)phenol +c1cc2c(cc1Cl)NC(=S)O2 5VM 5-chloranyl-3~{h}-1,3-benzoxazole-2-thione +C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O 5VN caulophyllogenin +c1ccc(cc1)C(=O)CCCCC(=O)O 5VO 6-oxidanylidene-6-phenyl-hexanoic acid +C=CCO 5VQ 2-propen-1-ol +CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O 5VR [[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C 5VS 2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one +COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4 5VT (2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide +c1cc(c(cc1F)F)NC(=O)N2CCCC2 5VU n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide +C([C@@H](C=O)NC(=O)O)C(=O)N 5VV n-carbamoyl-l-asparagine +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2 5VW [[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate +CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F 5VX 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C 5VY 2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C 5VZ ~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W0 ~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C 5W1 ~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC 5W3 ~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4 5W4 (3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one +COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F 5W5 methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC 5W6 ~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC 5W7 ~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C 5W8 ~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC 5W9 ~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide +Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O 5WA (1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol +Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC 5WB 5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine +C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N 5WC 1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N 5WD 3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid +CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5 5WE 4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide +CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F 5WF 4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F 5WH 4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4 5WJ ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O 5WK 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol +CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4 5WL 6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide +c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N 5WM 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccc2c(c1)c(cs2)CNS(=O)(=O)N 5WN 3-[(sulfamoylamino)methyl]-1-benzothiophene +c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4 5WO ~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide +CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C 5WP rifampin-phosphate +CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C 5WQ rifampin +C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5WR (4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide +CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C 5WS ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide +CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C 5WT ~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide +Cc1c2c(n(n1)CCO)CCCC2=O 5WU 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one +CN1Cc2ccccc2C1=O 5WV 2-methyl-3~{h}-isoindol-1-one +COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 5WW 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one +COc1cccc2c1c(no2)N 5WX 4-methoxy-1,2-benzoxazol-3-amine +c1cc(c2c(c1)OCCO2)C(=O)N 5WY 2,3-dihydro-1,4-benzodioxine-5-carboxamide +C1CC1C(=O)N2CCC(CC2)N 5WZ (4-azanylpiperidin-1-yl)-cyclopropyl-methanone +C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3 5X 5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine +CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3 5X0 ~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide +C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5 5X1 3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4 5X2 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl 5X3 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid +CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C 5X4 ~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N 5X8 s-adenosyl-l-cysteine +Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O 5X9 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid +C(CCN)CC(=O)NO 5XA 5-amino-n-hydroxypentanamide +C1[C@H](N[C@H](S1)C(=O)O)C(=O)O 5XB (2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid +c1cc2c(cc1C=O)OCO2 5XC 1,3-benzodioxole-5-carbaldehyde +CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C 5XD 4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide +Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br 5XE 4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide +CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC 5XF ~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide +c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N 5XG 8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C 5XH ~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide +CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F 5XJ 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine +CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XK 6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl 5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4 5XM (3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one +c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+] 5XN (1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium +Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N 5XO (s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid +c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN 5XP (2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid +Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC 5XQ ~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O 5XR 2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid +COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2 5XS methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O 5XT ~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide +C[C@@H](C=O)N 5XU (2~{s})-2-azanylpropanal +C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N 5XV ~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide +C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O 5XW (2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XX 2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5 5XY 2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 5XZ 2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O 5Y0 n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y2 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y3 ~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 5Y4 ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br 5Y5 2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl 5Y6 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl 5Y7 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide +Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N 5Y8 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one +CC(=O)N(C)C 5Y9 ~{n},~{n}-dimethylethanamide +c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO 5YA 4-naphthalen-1-yl-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N 5YB n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine +CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3 5YC 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F 5YD 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide +CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F 5YE 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO 5YF 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O 5YI (1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5YJ 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O 5YL 5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid +c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 5YN 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O 5YQ 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4 5YU n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4 5YW n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F 5YX n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N 5YY ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate +CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6 5Z1 4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl 5Z3 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F 5Z4 ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate +Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl 5Z5 5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br 5Z7 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1cc2c(c(c1)[N+](=O)[O-])non2 5Z8 4-nitro-2,1,3-benzoxadiazole +CC[C@](C)(C#N)O 5Z9 (2r)-2-methyl-2-oxidanyl-butanenitrile +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O 5ZA (5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C 5ZB (2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide +Cc1cc(nc(n1)N)C 5ZE 4,6-dimethylpyrimidin-2-amine +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl 5ZF n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 5ZI 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F 5ZJ 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione +Cc1c2c(c(ncn2)NC)[nH]n1 5ZK ~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 5ZL [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C 5ZM 5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O 5ZN 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde +COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2 5ZO (~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C 5ZP (3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO 5ZT 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione +c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl 5ZW 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O 5ZZ (2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid +CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC 600 6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid +CN(C)c1ccc(cc1)C(=O)NN 601 4-(dimethylamino)benzohydrazide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2 602 [[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O 603 ~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide +Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O 604 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos e +c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N 605 4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide +[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O 606 (2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N 607 2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4 608 n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide +c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O 609 7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid +C[C@H](COCCO)OCO 60A 2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol +Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 60B ~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine +c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23 60C (c_{60}-i_{h})[5,6]fullerene +CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6 60D 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide +CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6 60E 2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol +c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O 60F (2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid +COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC 60G methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate +c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3 60H (2~{s})-2-(diphenylmethyl)pyrrolidine +Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C 60I [4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N 60K (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid +CNCc1cccc(c1)c2cccs2 60L ~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine +c1cc(nc(c1)C(=O)O)CP(=O)(O)O 60M 6-(phosphonomethyl)pyridine-2-carboxylic acid +c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O 60N 6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid +c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 60O 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccsc1C(=O)O 60P 3-methylthiophene-2-carboxylic acid +c1ccc(c(c1)C(=O)O)n2cccc2 60Q 2-pyrrol-1-ylbenzoic acid +c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F 60R 6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N 60S 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F 60T (2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N 60U 5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N 60V 5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N 60W 3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F 60X (2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N 60Y 3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile +CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C 60Z (3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-] 610 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O 611 n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2 612 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl 613 4-(4-chlorophenyl)piperazine-1-carboximidamide +Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5 614 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N 615 (1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide +CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C 616 n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl 617 2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid +Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C 618 (3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide +CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 619 n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl 61C platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1) +OI 61D hypoiodous acid +Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl 61E 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +CC(=C)C=C 61G 2-methylbuta-1,3-diene +c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O 61H (1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O 61J (6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol +c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N 61K (3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide +Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O 61L 4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid +c1ccc(c(c1)C(=O)CC(=O)O)N 61M 3-(2-aminophenyl)-3-oxopropanoic acid +c1cc2cc(ccc2c(c1)C(=O)O)O 61N 6-hydroxynaphthalene-1-carboxylic acid +c1ccc(c(c1)c2cccnc2)C(=O)O 61O 2-(pyridin-3-yl)benzoic acid +c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N 61P 2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name) +c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN 61Q 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid +CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N 61S tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate +c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N 61T [(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate +C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O 61U 5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile +c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I 61V n-(1-benzylpiperidin-4-yl)-4-iodobenzamide +CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C 61W 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole +CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F 61X 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline +CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4 61Y 4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine +c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N 620 n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine +CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C 621 n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide +Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F 622 6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine +[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N 623 3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide) +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl 624 2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl 625 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5 626 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide +CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC 627 n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide +c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl 628 4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide +c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O 629 [2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C 62A 2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C 62B lefamulin +c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl 62C 2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose +CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC 62D 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6 62E 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea +Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O 62F [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N 62G cpi-0610 +C[C@@H](CN)C(=O)O 62H (2s)-3-amino-2-methylpropanoic acid +CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O 62I (6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol +CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2 62K 2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O 62L 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O 62M [6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F 62N n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine +COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3 62O 6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole +Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl 62P 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F 62Q {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F 62R 4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 62S [(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F 62T {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone +C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC 62U (8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate +Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl 62V 6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine +C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O 62W l-glucitol +CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 62X 5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine +c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br 62Y 3-bromophenyl hydrogen (s)-phenylphosphonate +CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl 630 1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one +CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC 631 (1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3 632 2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C 633 n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide +CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 634 n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide +CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5 635 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate +Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O 636 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 637 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O 638 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide] +Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N 639 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile +CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C 63A 1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one +COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F 63B methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate +CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl 63C (3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl 63D 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid +CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3 63E 4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F 63F n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O 63G (6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O 63H (6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O 63I (1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol +c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F 63J 2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide +c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F 63K 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea +CSc1c(c(n(n1)C(=O)N)N)C(=O)N 63L 5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide +CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C 63M n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 63N n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine +Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C 63O n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C 63P (9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide +CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C 63Q (4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide +CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4 63R n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide +C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O 63T [(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O 63U (2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 63V (2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N 63W 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O 63X mofezolac +Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N 63Y 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine +CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 640 (2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid +c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 641 (3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide +c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5 642 (1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid +Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl 643 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid +c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O 644 2,6-bis[(2-carboxyphenyl)amino]benzoic acid +CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O 645 [1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 646 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 647 5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 649 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine +CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O 64A {[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid +COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC 64B methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate +CCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64C 1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one +c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl 64D 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid +CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64E 1-propylisochromeno[3,4-c]pyrazol-5(3h)-one +CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3 64F 1-butylisochromeno[3,4-c]pyrazol-5(3h)-one +c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F 64I 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol +Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N 64J 5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O 64K alpha-d-arabinopyranose +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br 64L kb2115 +COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F 64M 5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl 64N 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide +CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl 64O n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N 64P 5-aminothymidine 5'-(dihydrogen phosphate) +Cc1ccccc1Nc2cc(nc3n2cnn3)C 64Q 7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine +Cc1ccc2c(c1)NC(=O)[C@H](O2)C 64R (2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one +CCNc1c2cc(c(cc2ncn1)OC)OC 64S n-ethyl-6,7-dimethoxyquinazolin-4-amine +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O 64T 5-hydroxy-thymidine-5'-monophosphate +c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N 64U 3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO 64V 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid +CC(=CCC/C(=C/CO)/C)C 64Z geraniol +C/C=C(\C)/CCC=C(C)C 650 beta-myrcene +c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O 651 (3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol +CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O 652 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol +c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+] 653 5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +Cc1ccc(cc1)Cn2cc(nc2)c3cccs3 654 4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole +c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 655 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate +CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N 656 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1cc2c(cc1OC(F)(F)F)sc(n2)N 657 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine +Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C 658 n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O 659 n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC 65A 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N 65B 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile +Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N 65C chir99021 +CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O 65D octyl 3,4,5-trihydroxybenzoate +Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N 65H 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN 65I (9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate +CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N 65J 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +[H]/N=C(/c1ccc(cc1)C(=O)O)\N 65K 4-carbamimidoylbenzoic acid +c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3 65L [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol +CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N 65N n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine +Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N 65O 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine +Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F 65P (2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid +Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N 65Q 5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine +c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4 65R 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide +C(C(=O)C(=O)O)F 65S 3-fluoro-2-oxopropanoic acid +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4 65U 5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide +c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O 65V 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3 65W 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid +c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl 65X 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline +CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl 65Y 6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid +c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl 65Z 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O 660 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O 662 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide +Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 663 3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide +Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C 664 1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 665 (3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I 666 6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one +c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3 667 6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate +CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O 668 2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide +c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl 669 1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid +c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6 66A 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O 66B (8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN 66C 4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine +CC[C@@H](C)C[C@@](C)(C(=O)O)N 66D (4r)-2,4-dimethyl-l-norleucine +CCN[C@@H](C(C)C)C(=O)O 66E n-ethyl-l-valine +C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F 66F n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide +C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2 66G (4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one +[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4 66H n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide +[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl 66J (3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide +Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C 66K 4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide +c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F 66L n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N 66M (2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) +C[C@@H](C(=O)N)N 66N l-alaninamide +C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O 66O alpha-l-6-dexoy-gulopyranose +c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N 66P 4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O 66R trans-ned 19 +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 66S s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC 66T n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide +C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O 66U (1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO 66V 1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium +CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4 66X n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea +C1[C@@H]2C=C[C@H]1NC2=O 66Y (1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one +C1[C@H]2C=C[C@@H]1NC2=O 66Z (1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one +c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 670 p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N 671 1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N 672 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2 673 n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine +c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O 674 6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N 675 6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide +c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F 676 n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N 677 (2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine +c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-] 678 (3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate +c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl 679 2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid +c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F 67A 3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one +CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 67B n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide +CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C 67C 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide +c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O 67D 3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine +CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 67F (2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name) +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F 67G (1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F 67H 7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C 67J n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccnc(c1)c2cc(cc(n2)C=O)O 67K 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde +c1ccnc(c1)c2cc(cc(n2)CO)O 67L 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 67M (2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) +CN1C=Cc2cc[nH]c2C1=O 67N 6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C 67O (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67P n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide +Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 67Q 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F 67R 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO 67S {2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N 67T 2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile +CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br 67U 6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine +Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC 67V methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate +c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3 67W (2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid +C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N 67X (3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide +c1ccc2c(c1)CCC[C@H]2NC(=O)CO 67Y 2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide +COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC 67Z 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-] 680 6-methylamino-5-nitroisocytosine +CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3 681 2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide +[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N 682 n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide +Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O 683 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid +c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O 684 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid +Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C 685 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br 686 n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 687 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide +c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4 688 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid +C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C 689 4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +Cc1c2c(sc1C(=O)O)N=CN(C2=O)C 68A 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid +c1ccc(cc1)C(=O)Nc2cncnc2 68B n-(pyrimidin-5-yl)benzamide +Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O 68C 5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide +Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O 68D {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC 68E 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O 68F (2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol) +CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C 68G 13'2-hydroxyl-chlorophyll a +CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O 68H salbutamol +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F 68J n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide +CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F 68K n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide +c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6 68L n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide +Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C 68M (2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide +c1ccc2c(c1)CCN[C@@H]2CO 68N [(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +CCc1cc(c(cc1F)Oc2ccccc2F)O 68O 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F 68P (1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile +c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O 68Q 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid +C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5 68R 2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one +COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO 68T 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide +CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C 68U n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O 68V 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O 68W 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid +C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3 68Y (4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O 68Z 1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate +B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O 690 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CC(=O)Nc1cc2ccccc2nc1 691 n-(quinolin-3-yl)acetamide +CNCc1ccccc1c2cccs2 692 n-methyl-1-(2-thiophen-2-ylphenyl)methanamine +c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F 693 2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate +c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O 694 4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid +CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC 695 n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide +c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N 696 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O 697 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O 698 (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid +CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O 699 (2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3 69A (4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5 69B (4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4 69C (6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one +CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br 69D (1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C 69E (4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4 69F (4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C 69G 3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide +CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O 69H 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol +CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O 69J 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol +CCc1cc(c(cc1F)Oc2cccnc2C)O 69K 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol +c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N 69M 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol +CCCC(=O)C(=O)O 69O 2-oxopentanoic acid +c1[nH]c2c(n1)c(ncn2)N3CCNCC3 69P 6-piperazin-1-yl-9h-purine +CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O 69Q 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol +c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O 69R 4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O 69S 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol +c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O 69T 4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol +c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O 69U 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5 69V 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N 69W 4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine +c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F 69Y 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one +Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 69Z [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone +C(CC[C@@H](C(=O)O)N)CCC(=O)NO 6A0 (2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid +C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O 6A1 hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium +CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-] 6A4 (4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate +Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN 6A5 sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone +c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F 6A6 (3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone +Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl 6A7 [(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone +[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6A8 ((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol +COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 6A9 n-9'-methoxynonyl-1-deoxynojirimycin +c1ccc(c(c1)C(=O)O)N 6AB 6-aminobenzoic acid +C=CC#N 6AC prop-2-enenitrile +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N 6AD 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) +C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N 6AE 4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O 6AF (2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol +C(CCCO)CCN 6AH 6-aminohexan-1-ol +c1cc2cn[nH]c2cc1N 6AI 1h-indazol-6-amine +CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O 6AJ 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl 6AL 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid +c1(nc(nc(n1)O)N)N 6AM 4,6-diamino-1,3,5-triazin-2-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 6AN 6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N 6AO (2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide +c1[nH]c2c(n1)c(nc(n2)N)N 6AP 9h-purine-2,6-diamine +c1cc(ccc1n2ccnc2)F 6AQ 1-(4-fluorophenyl)-1h-imidazole +c1cc(ccc1n2ccnc2)Br 6AR 1-(4-bromophenyl)-1h-imidazole +CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C 6AS (2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N 6AT 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 6AU 6-acetyluridine 5'-phosphate +c1cc(c(cc1Cl)N)n2ccnc2 6AV 5-chloro-2-(1h-imidazol-1-yl)aniline +CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C 6AW 1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate +c1cc(ccc1Cc2nnc(o2)N)Cl 6AX 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine +Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl 6AY n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-] 6AZ 6-azidouridine 5'-(dihydrogen phosphate) +c1cc(c(c(c1)Cl)Cl)CO 6B0 (2,3-dichlorophenyl)methanol +c1c2c(cc(c1Cl)Cl)nc([nH]2)CO 6B1 (5,6-dichloro-1h-benzimidazol-2-yl)methanol +CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C 6B2 n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide +c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O 6B3 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 6B4 1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea +COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6B5 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one +O[Pt](O)(O)O 6B6 platinum(4+) tetrahydroxide +CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C 6B7 (2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC 6B8 (2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O 6B9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid +c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F 6BB 4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine +c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl 6BC 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O 6BD (2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid +CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C 6BE 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine +CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5 6BF 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br 6BG 6-bromo-6-deoxy-beta-d-glucopyranose +c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-] 6BH n-[3-(benzyloxy)phenyl]-3-nitrobenzamide +c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4 6BJ n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide +c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O 6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one +Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one +C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O 6BM [(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid +CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl 6BN 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one +Br[Pt](Br)(Br)(Br)(Br)Br 6BP hexabromoplatinate(iv) +C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O 6BQ phosphorylated josamycin +C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-] 6BR threoninevanadate +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C 6BS 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide +c1ccc2c(c1)CCN[C@H]2CO 6BT [(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol +c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 6BU n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6BV (2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol +C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C 6BW (2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene +C1COCCN1C[C@@H](CS(=O)(=O)O)O 6BX (2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +C1COCCN1C[C@H](CS(=O)(=O)O)O 6BY (2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid +CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC 6BZ 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O 6C0 methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate +B(c1ccccc1OCc2cccc(c2)Cl)(O)O 6C1 {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O 6C2 methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid +Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4 6C3 6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one +C1CCC(C1)CNC(=O)C2CCCC2 6C4 n-(cyclopentylmethyl)cyclopentanecarboxamide +C1CCC(C1)CNC(=O)N2CCCC2 6C5 n-(cyclopentylmethyl)pyrrolidine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4 6C6 n-cyclopentyladenosine 5'-(dihydrogen phosphate) +CC(=CCSP(=O)(O)OP(=O)(O)O)C 6C7 s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate +c1cocc1/C=C/C(=O)N2CCCC2 6C8 (2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one +C1CCN(C1)C(=O)NC[C@@H]2CCOC2 6C9 n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O 6CA 4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid +Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N 6CB 3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide +c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl 6CC 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1 6CD 2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O 6CE 5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O 6CF 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N 6CG 5'-s-phosphono-5'-thioguanosine +CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC 6CH [(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate +c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O 6CJ n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N 6CK [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) +C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N 6CL 6-carboxylysine +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O 6CM n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N 6CN 6-cyanouridine 5'-phosphate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C 6CO [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron +c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 6CP 6-cyclohexylmethoxy-2-(3'-chloroanilino) purine +Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C 6CQ [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N 6CR 6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine +CC1=N[C@@H]([C@H](CN1)O)C(=O)O 6CS (4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C 6CT phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group +CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C 6CU (6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole +c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV 3-bromo-l-phenylalanine +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N 6CW 6-chloro-l-tryptophan +c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6CX 5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine +CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N 6CY 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile +CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6CZ 5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N 6D0 5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N 6D1 5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine +[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6D2 5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine +c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N 6D3 (2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N 6D4 5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N 6D5 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N 6D6 5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine +CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O 6D7 (r)-orteronel +CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O 6D8 vt-464 +c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7 6DA n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O 6DB octopine +CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C 6DC n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O 6DD n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid +CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C 6DE 1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O 6DF [6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N 6DG (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine +c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO 6DH 3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol +CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O 6DJ (3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol +c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O 6DK 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide +c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F 6DL 5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O 6DM 6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +C(CCNCC(=O)O)C[C@@H](C(=O)O)N 6DN (2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid +CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC 6DO (2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid +CS(=O)(=O)Nc1cccc2c1cn[nH]2 6DP ~{n}-(1~{h}-indazol-4-yl)methanesulfonamide +c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3 6DQ 2-pyridin-3-yl-1,3-benzothiazin-4-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3 6DR 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O 6DS (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4 6DT n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine +c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU 2-bromo-l-phenylalanine +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F 6DV n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7 6DW 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one +c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DX 2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N 6DY 2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N 6DZ 2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine +CCCCCCCCCCCCCCCCCCP(=O)(O)O 6E0 octadecylphosphonic acid +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F 6E1 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside +COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5 6E2 2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide +CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C 6E3 2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +C(CC(=O)N)[C@@H](C(=O)N)N 6E4 l-glutamamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5 6E5 n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide +c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N 6E6 1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O 6E7 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid +CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C 6E8 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3 6E9 n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N 6EA (1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine +Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O 6EB 8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O 6EC 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O 6ED 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid +c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl 6EE (betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5 6EF n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N 6EG n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3 6EH nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide +Cc1ccc(cc1)OS(=O)(=O)O 6EI (4-methylphenyl) hydrogen sulfate +c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F 6EJ (1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one +c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O 6EK (2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O 6EL 2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione +CC[C@@H](C(=O)N)[N+](C)(C)C 6EM (2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium +Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O 6EN 3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid +c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl 6EO 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid +Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl 6EP 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid +c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O 6EQ 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid +CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC 6ER (s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate +CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O 6ES (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate +c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl 6ET capsazepine +C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C 6EU resiniferatoxin +CSc1c2c(cs1)C=CC(=C)C2=O 6EV 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one +CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6EW n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +CC(=O)n1ccnc1 6EX 1-(1h-imidazol-1-yl)ethan-1-one +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl 6EY (6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one +c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F 6EZ (3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide +c1cc(c(c(c1)F)C(=O)O)N 6F0 2-azanyl-6-fluoranyl-benzoic acid +CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C 6F1 n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C 6F2 [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone +CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O 6F3 n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide +c1cc(sc1)CNc2nnc(s2)N 6F4 n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine +CC(C)CCCCC(=O)O 6F5 6-methylheptanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O 6F7 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) +CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O 6F8 3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol +CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1 6F9 7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide +Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O 6FA 6-hydroxy-flavin-adenine dinucleotide +c1cncc2c1cc3c(c2)cnc(n3)N 6FB pyrido[3,4-g]quinazolin-2-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FC 2'-trifluoromethylthio-2'-deoxycytidine +c1cncc2c1c(c3c(c2)cnc(n3)N)N 6FD pyrido[3,4-g]quinazoline-2,10-diamine +CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC 6FE 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline +CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6FF 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide +c1cocc1CCC(=O)N2CCCC2 6FG 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one +CC[C@H](C)CCCCC(=O)O 6FH (6~{s})-6-methyloctanoic acid +CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F 6FJ 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide +CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N 6FK [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F 6FL 5,5,5,5',5',5'-hexafluoro-l-leucine +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O 6FM 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) +C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O 6FN 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) +c1c(nc2c(n1)N=C(NC2=O)N)C=O 6FP 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde +c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 6FQ 2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +C1CCC(C1)CCS(=O)(=O)N2CCCC2 6FR 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine +COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC 6FS n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine +c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N 6FT 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F 6FU 2'-trifluoromethylthio-2'-deoxyuridine +c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O 6FV 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile +c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl 6FW 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O 6FX methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate +CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N 6FY (2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid +c1ccc2c(c1)CC(C2)C(=O)O 6FZ 2,3-dihydro-1h-indene-2-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 6G0 5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4 6G1 cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4 6G2 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine +CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F 6G3 n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N 6G4 4-oxononanoyl lysine +C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC 6G6 2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate +c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F 6G7 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br 6G9 2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid +c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO 6GA (2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O 6GB 6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose +CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GC n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide +CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F 6GD 6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine +Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O 6GE 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol +COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GF 6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl 6GG 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4 6GH n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine +c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N 6GI 13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine +CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O 6GJ (3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 6GK 6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine +C(C[C@@H](C(=O)O)N)COP(=O)(O)O 6GL 5-(phosphonooxy)-l-norvaline +c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol +c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O 6GN 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +COc1c2c(nc[nH]2)nc(n1)N 6GO 6-o-methylguanine +COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 6GP n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3 6GQ n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide +c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O 6GR 2-(alpha-l-altropyranosyloxy)benzoic acid +C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F 6GS 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) +C(CCC(=O)O)CC(=O)C(=O)O 6GT 2-oxoheptanedioic acid +c1[nH]c2c(n1)c(nc(n2)N)Cl 6GU 6-chloroguanine +CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F 6GV 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide +Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4 6GW 2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide +Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C 6GX n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide +CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl 6GY 5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine +Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O 6GZ (2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid +c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N 6H0 ~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide +c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F 6H1 6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol +c1ccn2cc(nc2c1)c3ccc(c(c3)O)O 6H2 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl 6H3 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl 6H4 n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide +[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N 6H5 4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine +c1ccc2c(c1)N(C(=O)O2)CCC(=O)O 6H6 3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid +[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC 6H8 n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine +CNc1[nH]c2ccc(cc2n1)C(=O)NN 6H9 2-(methylamino)-1h-benzimidazole-5-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N 6HA 1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O 6HB 2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) +C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N 6HC 1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +CNc1[nH]c2ccc(cc2n1)C(=O)N 6HD 2-(methylamino)-1h-benzimidazole-5-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C 6HE 6-methy-6-depropionatehemin +CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C 6HF n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N 6HG 1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol +c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O 6HH 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid +CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O 6HI (3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid +Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 6HJ (r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC 6HK methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N 6HL (r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one +c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O 6HM [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid +C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N 6HN 6-nitro-l-norleucine +c1cc(cc(c1)F)C(=O)N2CC=CC2 6HO (2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone +CC(C)COC1=CC(=O)N(C(=O)N1C)C 6HP 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione +CC1(C(=O)NC(=O)N1C)C 6HQ 1,5,5-trimethylimidazolidine-2,4-dione +Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO 6HR 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O 6HS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O 6HT 1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol +Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC 6HU (2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol +Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3 6HV (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone +Cc1ccccc1c2cc(ccc2C)Nc3nccs3 6HW n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine +Cc1ccc(cc1c2ccccc2Cl)N 6HX 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine +C1=CC(=O)NC=C1C(=O)CCC(=O)O 6HY 4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid +Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3 6HZ (2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone +Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4 6I4 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole +CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C 6I7 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole +CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6IA n6-isopentenyl-adenosine-5'-monophosphate +CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC 6IB 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine +C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F 6IC 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2 6ID ~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide +C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl 6IF methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside +CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC 6IG 6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine +COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 6IH 4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O 6IK 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N 6IN 4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid +c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F 6IO ~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2 6IP 6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN 6IR 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide +c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl 6IT ~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine +CC(=O)NCCNC(=O)C[N+](=O)[O-] 6IU n-(2-acetamidoethyl)-2-nitro-ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C 6IX (2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN 6IY (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate +c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3 6J0 n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine +Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-] 6J1 2,6-dinitro-p-cresol +C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J2 coenzyme f420-0 +Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O 6J3 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O 6J4 coenzyme f420-3 +c1ccc(c(c1)OCc2[nH]nnn2)Cl 6J5 5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O 6J6 (2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O 6J7 2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one +CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O 6J8 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid +c1c[nH]c2c1c(ncn2)N3CCNCC3 6J9 4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine +CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N 6JA 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate +CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O 6JB [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid +Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 6JC 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O 6JD 4-(4-hydroxyphenyl)sulfonylphenol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C 6JE 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide +Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2 6JF 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid +CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3 6JG n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide +c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3 6JH 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O 6JI 5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one +c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3 6JJ 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole +c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O 6JM 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one +C(C(=O)CC(=O)O)C(=O)O 6JN 3-oxopentanedioic acid +c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O 6JO 3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one +COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O 6JP (2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6 6JQ n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide +c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O 6JR 3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one +COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5 6JS 3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO 6JT (3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO 6JU 2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide +CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O 6JV n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CCC1(C(=O)NC(=O)NC1=O)CCBr 6JW 5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione +CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C 6JX allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1 6JY n~2~-(benzenecarbonyl)-l-arginine +CCOCCOCCOCCOCCOCC 6JZ 3,6,9,12,15-pentaoxaheptadecane +CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F 6K0 n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl 6K1 n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide +CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N 6K2 2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O 6K3 heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside +CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl 6K4 n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide +c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K5 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6K6 n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate) +c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F 6K7 [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1 6K8 n-(benzenecarbonyl)glycyl-l-arginine +C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O 6K9 (1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) +Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F 6KA n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N 6KB 4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O 6KC n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C 6KD n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide +C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl 6KE (2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O 6KF (2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name) +C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O 6KG nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O 6KH heptyl 3-fluoro-alpha-d-mannopyranoside +[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N 6KJ (5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KK (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC 6KL methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCC(=O)SC[C@@H](C(=O)O)N 6KM s-propanoyl-l-cysteine +Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F 6KN 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole +COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4 6KO [(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate +Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F 6KP 7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole +COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O 6KQ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC 6KR (3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F 6KS heptyl 2-fluoro-alpha-d-mannopyranoside +c1cc2c(cc1C(=O)N)sc(n2)N 6KT 2-amino-1,3-benzothiazole-6-carboxamide +CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O 6KU heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N 6KV 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O 6KW heptyl 3-deoxy-alpha-d-mannopyranoside +CC1=C(C(CCC1)(C)C)C=O 6KX beta-cyclocitral +CN(C)[C@@H](CC[Se]C)C(=O)O 6KY (2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid +CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3 6KZ n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide +C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O 6L0 (8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N 6L1 5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC 6L2 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide +Cc1cc(c(c(c1)C)C(=O)OC)C 6L3 methyl 2,4,6-trimethylbenzoate +Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl 6L4 ~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N 6L5 (3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name) +CSC(=S)/C=C(/c1cccc(c1)O)\O 6L6 methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N 6L7 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N 6L8 (2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide +C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O 6L9 [(2s)-2,3-diamino-3-oxopropyl]propanedioic acid +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O 6LA methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +CCN1CCOCC1 6LB 4-ethylmorpholine +[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6LC 9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine +C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O 6LD sacubitrilat +c1cc(ccc1[C@@H](CN)O)Cl 6LE (1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol +C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO 6LF 2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol +C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4 6LG (1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate +c1cc(ccc1CN)S(=O)(=O)N 6LH 4-(aminomethyl)benzene-1-sulfonamide +c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl 6LI 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate) +c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4 6LJ 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile +Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C 6LK 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide +O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O 6LL tetrakis-(mu-oxo)-deca-oxo-trimolybdenum +C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O 6LM (3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid +C(CS)S 6LN ethane-1,2-dithiol +CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5 6LO n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide +c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN 6LP n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5 6LQ 2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide +C1COCCN1 6LR morpholine +CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O 6LS heptyl 2-deoxy-alpha-d-mannopyranoside +CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O 6LT 3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide +Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C 6LU 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide +COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N 6LV 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O 6LW (z)-l-arabinonhydroximo-1,4-lactone +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C 6LX n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide +c1cc(ccc1[C@@H](CN)O)Br 6LY (1s)-2-amino-1-(4-bromophenyl)ethan-1-ol +c1cc(ccc1C(=O)CN)F 6LZ 2-amino-1-(4-fluorophenyl)ethan-1-one +O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O 6M0 mo(6)-o(26) cluster +Cc1cccc(c1C(=O)O)N 6M1 2-amino-6-methylbenzoic acid +c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl 6M3 2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile +[B-]1(c2ccccc2CO1)(O)O 6M4 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium +COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6 6M5 (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N 6M6 s-[(2-phenylethyl)carbamothioyl]-l-cysteine +CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N 6M8 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine +B1(c2ccccc2CO1)O 6M9 2,1-benzoxaborol-1(3h)-ol +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MA n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C 6MB 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MC cis-n6-methyl-deoxy-adenosine-5'-monophosphate +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 6MD n-methyladenosine +C[C@H]1CCc2c(c(nc(n2)N)N)C1 6ME (6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6MG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide +CC1=CC=CC(=S)N1O 6MH 1-hydroxy-6-methylpyridine-2(1h)-thione +CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O 6MI 6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine +CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O 6MJ methyl beta-d-xylopyranoside +c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O 6MK (2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid +O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S] 6ML oxygen-damaged sf4 +CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C 6MM 6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name) +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O 6MN 2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +[Mo+6] 6MO molybdenum(vi) ion +Cc1c2c(nc[nH]2)ncn1 6MP 6-methylpurine +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C 6MQ methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I 6MR n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan +c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N 6MS [6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6MT trans-n6-methyl-deoxy-adenosine-5'-monophosphate +Cc1cc(nc(n1)O)O 6MU 6-methylpyrimidine-2,4-diol +CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O 6MV 4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide +c1cnccc1[C@H]2N[C@H](CS2)C(=O)O 6MW (2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid +c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O 6MX 2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid +c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 6MY (1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 6MZ n6-methyladenosine-5'-monophosphate +c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F 6N0 n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide +c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3 6N1 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide +[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3 6N2 n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine +CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O 6N3 (1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid +c1ccc2c(c1)[nH]c(n2)SCCO 6N4 2-(1h-benzimidazol-2-ylsulfanyl)ethanol +CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6N5 ~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +c1cc(sc1)c2nnc(s2)N 6N6 5-(2-thienyl)-1,3,4-thiadiazol-2-amine +c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3 6N8 n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O 6N9 (3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone +CCCCCC(=O)O 6NA hexanoic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F 6NB n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) +CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O 6NC 2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide] +Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F 6ND 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O 6NE (1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol +c1cnccc1c2cc(n[nH]2)NCC3CCCCC3 6NF n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C 6NG n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N 6NH 2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine +c1cc2cn[nH]c2cc1[N+](=O)[O-] 6NI 6-nitroindazole +c1ccc(cc1)CCc2c3ccccc3[nH]n2 6NJ 3-(2-phenylethyl)-1h-indazole +c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3 6NK 2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide +C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3 6NL (2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one +c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3 6NM 4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine +CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 6NN p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6NO avilamycin +c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6 6NP 6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N 6NQ 2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N 6NR (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F 6NS (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid +c1cc2c(cc1[N+](=O)[O-])[nH]nn2 6NT 6-nitrobenzotriazole +CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F 6NU (3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid +CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O 6NV ~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O 6NW 2'-o-methyl-5'-o-thiophosphonoadenosine +CNC(=O)NC1CCCCC1 6NX 1-cyclohexyl-3-methyl-urea +C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O 6NY 3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide +CCCC1=CC(=CNC1=O)C2CCCCC2 6NZ 5-cyclohexyl-3-propyl-1h-pyridin-2-one +CCCCN1C=CN(C1=[Au]Cl)C 6O0 (1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O 6O1 evernimicin +C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O 6O2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate +Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O 6O3 {[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid +c1cc(oc1)CCC(=O)O 6O5 3-(furan-2-yl)propanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O 6O6 plicamycin, mithramycin analogue mtm sa-trp +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O 6O7 plicamycin, mithramycin analogue mtm sa-phe +CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C 6O8 (4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium +CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C 6O9 (2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate +C(/C=C/C=C(/C(=O)O)\O)O 6OA (2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid +CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O 6OB (8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid +CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O 6OC (8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid +C(=C/C=O)\C=C(/C(=O)O)\N 6OD (2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid +CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC 6OE (2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6OG 6-o-methyl guanosine-5'-monophosphate +C(=C/C=O)\C=C(/C(=O)O)\O 6OH (2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3 6OJ 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one +c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO 6OK 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[As](O)O 6OL methylarsonous acid +C/C(=C/CO)/CO 6OM (2z)-2-methylbut-2-ene-1,4-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C 6ON 2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O 6OO 2'-o-methyl-5'-o-thiophosphonocytidine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC 6OP 1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione +B1(C=CC=CN1)CC 6OQ 2-ethyl-1,2-dihydro-1,2-azaborinine +c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O 6OR 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid +c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N 6OS neplanocin-a +c1c(cc(cc1Cl)Cl)S(=O)(=O)N 6OT 3,5-dichlorobenzene-1-sulfonamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC 6OU [(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N 6OV 3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide +Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C 6OW 2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O 6OX 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 6OY ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3 6OZ 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole +Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P0 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC 6P1 5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC 6P2 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +c1ccc(cc1)c2ccc(cn2)C(=O)O 6P3 6-phenylpyridine-3-carboxylic acid +Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C 6P4 2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine +Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C 6P5 4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole +CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3 6P6 1-(4-phenylazanylquinazolin-7-yl)ethanone +CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3 6P8 ~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6 6P9 [2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) +c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N 6PB 6-(3-bromophenyl)-7h-purin-2-amine +c1ccnc(c1)C(=O)O 6PC pyridine-2-carboxylic acid +c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7 6PD [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone +CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC 6PE 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine +COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C 6PF n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O 6PG 6-phosphogluconic acid +CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O 6PH (1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate +CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O 6PJ cy5.5-peg2 +[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6PK o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C 6PL (4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC 6PM 5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole +CCCCCCc1ccc(c(c1)O)Oc2ccccc2 6PN 5-hexyl-2-phenoxyphenol +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 6PO 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine +CC/C(=C\Cc1cccc(c1O)O)/C 6PP 3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol +Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC 6PQ 5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole +C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O 6PR (s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid +Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3 6PS 2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole +CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O 6PT 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid +CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F 6PU (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine +COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5 6PV 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide +Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO 6PW 1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol +[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N 6PX methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O 6PY 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon ic acid +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O 6PZ 5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3 6Q0 ~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide +CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4 6Q1 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one +COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4 6Q2 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one +Cc1cc(nc(n1)N)OCCCO 6Q3 3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol +CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F 6Q4 n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O 6Q5 ursolic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C 6Q6 (3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one +CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O 6Q7 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid +Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3 6Q8 ~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide +Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2 6Q9 ~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide +C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O 6QA ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate +Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl 6QB 1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one +C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 6QC ~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O 6QD 5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid +Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C 6QE ~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide +c1ccc2c(c1)nc3cccc(c3n2)O 6QF phenazin-1-ol +Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4 6QG 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione +COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3 6QH 5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide +Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QJ (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone +COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC 6QK 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid +COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC 6QL 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid +CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC 6QM 4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol +CCNC(=O)C1=C(c2ccncc2NC1=O)O 6QN ~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F 6QO (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F 6QP 2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide +[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O 6QQ 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3 6QR (2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C 6QS [(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate +c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O 6QT (2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one +c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F 6QU [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] 6QV (4-nitrophenoxy)-phenyl-phosphinic acid +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3 6QW ~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide +CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4 6QX ~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 6QY ~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine +CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6QZ (3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6 6R0 (3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one +c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5 6R1 ~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C 6R2 [bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid +C=CC(=O)C(=C)N 6R3 2-azanylpenta-1,4-dien-3-one +CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC 6R4 methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate +Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C 6R5 methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate +c1cc(c(cc1[N+](=O)[O-])C(=O)O)N 6R6 5-nitroanthranilic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)O 6R7 5-nitrosalicylic acid +C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-] 6R8 (6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid +CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6R9 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3 6RB 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6 6RC 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine +Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6 6RD 5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N 6RE [[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium +C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N 6RF 4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N 6RG 2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine +c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O 6RH 4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid +c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F 6RI n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide +c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl 6RJ 4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide +C1CC(CCC1C(=O)O)N 6RK 4-azanylcyclohexane-1-carboxylic acid +CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N 6RL 2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile +CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO 6RM 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one +COc1ccc(cc1)NCc2ccccn2 6RN 4-methoxy-n-[(pyridin-2-yl)methyl]aniline +CS(=O)(=O)Nc1ccc(cc1)Cl 6RO ~{n}-(4-chlorophenyl)methanesulfonamide +c1cnn(c1)C(C(=O)O)n2cccn2 6RP bis(pyrzol-1-yl)acetate scorpionate +Cc1cc2c(cc1C)nc([nH]2)N 6RQ 5,6-dimethyl-1~{h}-benzimidazol-2-amine +Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2 6RR ~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3 6RS ~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine +c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5 6RT 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine +CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3 6RU ~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine +c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F 6RV (1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile +Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C 6RW 2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine +CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O 6RX (5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione +Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3 6RY ~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine +Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C 6RZ 2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine +Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2 6S0 2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine +c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N 6S1 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O 6S2 methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside +Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C 6S3 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide +CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 6S4 (3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4 6S5 (s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide +C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O 6S6 (1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3 6S7 2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O 6S8 (~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide +Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4 6S9 1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO 6SA acarbose derived hexasaccharide +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 6SB taurodeoxycholate +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4 6SC 3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COc1ccc(cc1)c2cc([nH]n2)N 6SD 3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine +[SeH][Se][SeH] 6SE triselane +c1cc(c(cc1OCCN)Cl)Cl 6SF 2-[3,4-bis(chloranyl)phenoxy]ethanamine +C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N 6SG s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N 6SH 5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 6SJ 2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid +CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N 6SK (3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1ccc2c(c1)[nH]c(n2)c3cccnc3 6SL 2-pyridin-3-yl-1~{h}-benzimidazole +c1c(c(ncn1)C(=O)O)Cl 6SM 5-chloranylpyrimidine-4-carboxylic acid +c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl 6SN 5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine +c1cc2c(cc1Cl)c(c[nH]2)CCN 6SO 2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine +C1CNC[C@H]1O 6SP (3s)-pyrrolidin-3-ol +CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl 6SQ 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone +c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2 6SR 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one +CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C 6SS (3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7 6ST 4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid +COC(=O)c1cccc(c1)NS(=O)(=O)C 6SU methyl 3-(methylsulfonylamino)benzoate +C1CCC(CC1)NC(=O)NC[C@H]2CCCO2 6SV 1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O 6SW inosine-3',5'-cyclic monophosphate +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SX purine riboside-3',5'-cyclic monophosphate +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O 6SY uridine-3',5'-cyclic monophosphate +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 6SZ 2-aminopurine riboside-3',5'-cyclic monophosphate +CC(C)Cn1cnc2c1c3ccccc3nc2N 6T0 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine +c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl 6T1 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide +CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N 6T2 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine +c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5 6T3 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene +Cc1csc(n1)NC(=O)C 6T4 ~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide +CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C 6T5 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one +C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4 6T6 (2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine +c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O 6T7 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid +[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3 6T8 n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide +CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F 6T9 5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide +CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3 6TA ~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C 6TB 4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide +CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5 6TC ~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide +COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4 6TD 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole +CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C 6TE ~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O 6TF n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide +Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4 6TG (2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO 6TH (2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O 6TJ 3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6 6TL 5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide +c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl 6TM 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C 6TN [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone +c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O 6TO (3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC 6TP 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl 6TS [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F 6TT ~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide +COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C 6TU (1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid +CCCNCCNS(=O)(=O)c1cccc2c1ccnc2 6TV ~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide +CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3 6TW [(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium +C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 6TY 5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline +c1cc(cc(c1)F)c2cc[nH]n2 6TZ 3-(3-fluorophenyl)-1h-pyrazole +c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 6U0 [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4 6U1 2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 6U2 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide +Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5 6U3 2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O 6U4 [[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C 6U5 ~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide +c1cc2c(cc1Cl)nc(s2)CCC(=O)O 6U6 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid +Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4 6U7 6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine +CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br 6U8 (2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile +CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC 6U9 nimodipine +C1C(=NC(=O)NC1=O)N 6UA 6-aminopyrimidine-2,4(3h,5h)-dione +CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN 6UB amlodipine +CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C 6UC o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O 6UD 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid +Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5 6UE 1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea +c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4 6UF ~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide +Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F 6UG 2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide +Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UH 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4 6UI 4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4 6UJ 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea +Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F 6UK 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC 6UL tetracosyl palmitate +Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3 6UM 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea +C(=C/C(=O)C(=O)O)\C=C\O 6UN (3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3 6UO 2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate +[H]/N=C(\c1ccc2cccc(c2c1)N)/N 6UP 8-aminonaphthalene-2-carboximidamide +Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C 6UQ (2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6UR [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 6US [(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid +CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O 6UT [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid +c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O 6UU [2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O 6UV (2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F 6UW 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N 6UX 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea +c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N 6UY [(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 6UZ omega-undecylenyl-beta-d-maltopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N 6V0 [[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N 6V1 (2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid +[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N 6V2 (2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide +CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6 6V3 1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V4 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide +CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C 6V5 n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC 6V6 [(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate +B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O 6V7 [(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid +B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O 6V8 [(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid +Cc1ncc(s1)C(=O)O 6V9 2-methyl-1,3-thiazole-5-carboxylic acid +CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O 6VA (3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O 6VB bromo-trisulfonatocalix[4]arene +CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O 6VC ~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide +CCc1cc(c2ccccc2n1)O 6VD 2-ethyl-4(1h)-quinolinone +c1cc(ccc1C[C@@H]([C@H](CO)O)N)O 6VF (2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 6VG ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate +C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O 6VH (1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O 6VJ phenyl-trisulfonatocalix[4]arene +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5 6VK (4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4 6VL (4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4 6VM (4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one +C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O 6VN 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid +CC(C)C[C@@H]([C@H](C(C)(C)O)O)N 6VO (3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol +c1cc(c(cc1[N+](=O)[O-])C#N)O 6VP 5-nitro-2-oxidanyl-benzenecarbonitrile +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O 6VQ [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C 6VR 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C 6VS 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC 6VU 1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide +C1C[C@H]([C@@H](C1)O)O 6VV (1~{r},2~{r})-cyclopentane-1,2-diol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 6VW (8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one +c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O 6VX (1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid +c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O 6VY (1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid +CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3 6VZ (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC 6W0 ~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5 6W1 4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +COc1ccc(cc1)S(=O)(=O)Nc2nccs2 6W2 4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide +Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C 6W3 4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6 6W4 (2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O 6W5 [(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate +c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl 6W6 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O 6W7 [(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N 6W8 [(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid +c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O 6W9 2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O 6WA 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid +c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O 6WB 2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O 6WC [2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid +C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F 6WD (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine +Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F 6WE (4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 6WF 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene +c1ccc(cc1)[C@H]2CCCCN2C=O 6WG (2~{r})-2-phenylpiperidine-1-carbaldehyde +COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6 6WH (2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N 6WI 3-(guanosine-5'-diphospho)-d-glycerate +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O 6WJ 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione +C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S 6WK (2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid +Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O 6WL 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O 6WM (8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O 6WN (8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one +O=[W+4] 6WO oxo-tungsten(vi) +c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 6WP naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O 6WQ 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol +c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O 6WR (1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol +c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl 6WS 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene +c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl 6WT 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene +C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F 6WU (1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O 6WV (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O 6WW (8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol +CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WX 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WY 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione +C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6WZ 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC 6X0 4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl 6X1 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid +CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 6X2 1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C 6X3 4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide +C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O 6X4 [6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium +CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5 6X5 ~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide +COc1cccc(c1OC)C(=O)O 6X6 2,3-dimethoxybenzoic acid +Cc1cc(cc(c1C(=O)O)O)O 6X7 2,4-dihydroxy-6-methyl benzoic acid +c1ccc(c(c1)O)I 6X8 2-iodanylphenol +CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C 6X9 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +C(CCC(=O)NO)CCN 6XA 6-amino-n-hydroxyhexanamide +CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1 6XB 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone +CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3 6XC 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 6XD 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea +c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F 6XE 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline +CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O 6XF ~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide +CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1 6XH 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone +c1ccn(c1)c2ccsc2C(=O)O 6XI 3-pyrrol-1-ylthiophene-2-carboxylic acid +CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N 6XJ (3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide +CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 6XK ~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO 6XL 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one +c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8 6XM 8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate +C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F 6XN ~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide +CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O 6XO (2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl 6XP (2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide +Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC 6XQ (3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid +c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O 6XR (4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F 6XS 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide +Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4 6XT ~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide +C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F 6XU (2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid +c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4 6XV 4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N 6XW 5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC 6XX 8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br 6XY bromopromazine +COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O 6XZ 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one +CCCCC1=CC(=O)Oc2c1ccc(c2O)O 6Y0 4-butyl-7,8-bis(oxidanyl)chromen-2-one +c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH] 6Y1 ~{n}-(1-adamantyl)-2-selanyl-benzamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O 6Y2 ~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide +c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH] 6Y3 ~{n}-(4-aminophenyl)-2-selanyl-benzamide +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO 6Y4 [2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol +C(CC(=O)C(=O)O)CF 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC 6Y6 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto -non-2-enonic acid +CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O 6Y7 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid +CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F 6Y8 (6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole +C[C@@]1(CCCN1C)C(=O)O 6Y9 (2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid +CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl 6YA 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one +[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 6YB (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid +COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2 6YC ~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide +Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C 6YD ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide +Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4 6YE ~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F 6YF n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide +COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4 6YG 2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one +c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N 6YH 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide +C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O 6YJ (2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid +CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C 6YK (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid +Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F 6YL 2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide +c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F 6YN ~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine +CCCCc1ccc(cc1)S(=O)(=O)N 6YP 4-butylbenzenesulfonamide +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N 6YQ 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O 6YR methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside +c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F 6YS (1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O 6YT n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C 6YU fad-mdl72527 adduct +B(c1ccccc1/C=C/C(=O)O)(O)O 6YV (~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YW [oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YX [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 6YY bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N 6YZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid +[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N 6Z0 n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 6Z1 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C 6Z2 7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O 6Z3 (2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 6Z4 (3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C 6Z5 5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one +COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N 6Z6 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile +COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4 6Z7 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C 6Z8 8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione +c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F 6Z9 3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N 6ZA 2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N 6ZB n-hydroxy-l-tryptophanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O 6ZC 4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N 6ZD 5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine +CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C 6ZE 2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3 6ZF 7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine +Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3 6ZG ~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N 6ZH [[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium +c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F 6ZI 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide +C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O 6ZJ iron(iii) dicitrate +c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N 6ZK 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide +CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O 6ZL 2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1 6ZM 1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one +c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6 6ZN 6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one +c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2 6ZO (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4 6ZP 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile +CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F 6ZQ 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one +C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 6ZR (3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +CC[C@@](C)(C(=O)O)N 6ZS l-isovaline +Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl 6ZT (4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3 6ZU 3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate +CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F 6ZV n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine +CCN(CC)c1ccc2c(c1)OC(=O)C=C2C 6ZW 7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one +C/C(=C\C(=O)O)/c1ccc(cc1)Cl 6ZX (e)-3-(4-chlorophenyl)but-2-enoic acid +Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C 6ZY 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5 6ZZ 7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl 700 [5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl 701 (2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide +c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O 702 (1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid +c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5 703 5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one +C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F 704 n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide +CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 705 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C 706 n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide +COc1ccc(cc1Br)C(=O)NCCC(=O)O 707 n-(3-bromo-4-methoxybenzoyl)-beta-alanine +CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O 708 3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N 709 n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C 70A (2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O 70B bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C 70C 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid +Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C 70D 1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid +CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O 70E 6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose +Cc1cccc2c1[C@H](CCC2)CCC(=O)O 70G 3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid +Cc1cccc2c1c(ccc2)/C=C/CC(=O)O 70H (3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid +CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O 70J 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5 70K 6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 70L 1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide +c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N 70M 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile +CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F 70N [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C 70O 3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide +C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C 70P (4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one +CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4 70Q 3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O 70R (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid +c1cc2c(cc1N)c[nH]n2 70S 2h-indazol-5-amine +Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] 70T 2-methyl-5-nitro-1h-indole +COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 70U 5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate +CC1C(=O)CCCC1=O 70V 2-methylcyclohexane-1,3-dione +CC(C)(C)OC(=O)N1CCC(CC1)N 70W tert-butyl 4-aminopiperidine-1-carboxylate +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C 70X n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide +[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C 70Y (2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one +CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4 70Z ~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide +c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO 710 (5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol +Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C 711 7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N 712 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C 713 n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide +CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 714 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N 715 (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl 716 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide +c1csc2n1cc(n2)CO 717 imidazo[2,1-b][1,3]thiazol-6-ylmethanol +c1cc2c(cc1O)CCCC2=O 718 6-hydroxy-3,4-dihydronaphthalen-1(2h)-one +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F 719 n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide +c1cc(cnc1)O 71A pyridin-3-ol +COc1ccc(cc1F)N 71B 3-fluoro-4-methoxyaniline +c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O 71C 5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N 71D (2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de +CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O 71E dz 2384 +COc1ccccc1C(=O)O 71F 2-methoxybenzoic acid +c1cc(cc(c1)N)C#N 71G 3-aminobenzonitrile +CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F 71H ~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide +CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 71I (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol +C1CC(CCC1O)O 71J trans-cyclohexane-1,4-diol +Cc1c(cccc1N)N 71K 2-methylbenzene-1,3-diamine +Cc1cc(nc(c1)N)C 71L 4,6-dimethylpyridin-2-amine +Cc1cccc(n1)N 71M 6-methylpyridin-2-amine +c1cc2c(cc1N)nc([nH]2)C(F)(F)F 71N 2-(trifluoromethyl)-1h-benzimidazol-5-amine +c1cnc(nc1)O 71O pyrimidin-2-ol +CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC 71P ~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F 71Q n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O 71R dihydrostreptomycin +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN 71S 6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine +COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4 71T 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione +c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN 71U (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N 71V [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 71W (1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C 71X ~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C 71Y ~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide +CCCn1cc(nc1)C[C@H](CCCN)C(=O)O 720 (2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid +CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 721 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium +CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O 722 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium +c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O 723 (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid +C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC 724 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione +CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N 725 6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one +CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N 726 6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4 727 (5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione +c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 728 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C 729 n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS 72B [(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C 72C 4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N 72D 4-(phenyl)-benzenesulfonamide +Cc1ccccc1c2ccc(cc2)S(=O)(=O)N 72E 4-(2-methylphenyl)-benzenesulfonamide +Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F 72F n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide +c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O 72G 4-(3-formylphenyl)-benzenesulfonamide +c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N 72H 4-(3-quinolinyl)-benzenesulfonamide +I[Hg-2](I)(I)I 72I tetraiodomercurate(2-) +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO 72J 7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp +Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5 72K 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N 72L 4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide +Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 72M ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide +Cc1nnc(n1c2ccccc2)C3CC3 72N 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole +Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3 72O 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole +Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O 72P 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid +CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N 72Q 3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1cc2c(cc1F)C(=O)C(=O)N2 72R 5-fluoranyl-1~{h}-indole-2,3-dione +Cc1cccc2c1NC(=O)C2=O 72S 7-methyl-1~{h}-indole-2,3-dione +c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O 72T 7-(trifluoromethyl)-1~{h}-indole-2,3-dione +COC(=O)c1cccc2c1NC(=O)C2=O 72U methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate +CN1c2ccccc2C(=O)C1=O 72V 1-methylindole-2,3-dione +CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O 72W ~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide +CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O 72X (3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide +Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N 72Y 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N 730 (s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide +Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4 731 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone +CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl 732 5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide +Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl 733 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide +c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl 734 5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O 735 2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid +CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl 736 (11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C 737 n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide +c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F 738 n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide +CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N 739 2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone +CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N 73A (2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl 73B 4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid +CCCCOC[C@@H](C(=O)O)N 73C (2~{s})-2-azanyl-3-butoxy-propanoic acid +CCN1c2ccccc2C(=O)C1=O 73D 1-ethylindole-2,3-dione +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 73E (1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol +c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O 73F 1-(2-phenylethyl)indole-2,3-dione +CCCCOC(=O)CN1c2ccccc2C(=O)C1=O 73G butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate +c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F 73H 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O 73I (1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F 73J ~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4 73K n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O 73L 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione +N[Pt](N)(O)Cl 73M bis(azanyl)-chloranyl-oxidanyl-platinum +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O 73N (2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid +c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O (2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid +C(CCN)C[C@@H](C(=O)O)NC(=O)O 73P (2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid +Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O 73Q 6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one +CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C 73R (3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5 73S 2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide +Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F 73T 6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide +Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC 73U 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3 73V benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O 73W 5'-o-[(dithiophosphono)]cytidine +c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl 73X 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br 73Y 6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N 73Z 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5 740 n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide +Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC 741 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile +CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O 742 (2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium +CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C 743 (1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile +Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl 744 (3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide +[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N 745 trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C 746 4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide +CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O 747 (5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5 748 n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide +CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C 749 [(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C 74A n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F 74B (4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +[CH3] 74C methyl radical +Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC 74D 1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide +Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N 74E 2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide +C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5 74F 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine +C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 74G 4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium +Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5 74H 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5 74J 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5 74K 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide +Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5 74L 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide +CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC 74M methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5 74N 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide +Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5 74O 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine +CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O 74P (e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine +Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6 74Q 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7 74S 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7 74T (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate +c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4 74U n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine +CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C 74V n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74W 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O 74X 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea +Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3 74Y (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone +c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4 74Z n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6 750 5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide +COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC 751 2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine +c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O 752 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC 753 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid +CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C 754 (2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid +CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl 755 4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid +Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4 756 [(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone +CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 757 5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid +CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl 758 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C 759 (2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N 75A n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 75B 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O 75C 5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C 75D 2,4,6-tri(propan-2-yl)benzenesulfonic acid +c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4 75F (4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N 75G (2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one +CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC 75H n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N 75J 2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +Cc1nc2c(o1)C=C(OC2=O)C 75K 2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C 75L 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N 75M 4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile +CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C 75N 2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O 75O 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid +COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4 75P 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine +Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75Q 1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C 75R 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl 75S 1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine +Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4 75T 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine +CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3 75U ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate +CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 75V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine +[H]/N=N/c1ccc(cc1)S(=O)(=O)N 75W 4-[(e)-diazenyl]benzene-1-sulfonamide +Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N 75X 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol +c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N 75Y 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F 75Z n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4 760 9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine +c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O 761 3-(oxalyl-amino)-naphthalene-2-carboxylic acid +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl 762 3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F 763 5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N 765 5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F 766 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC 767 n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine +[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4 768 (2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F 769 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide +c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O 76A 3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide +Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 76B 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide +Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N 76C 2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile +CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C 76D 2,4,6-tri(propan-2-yl)benzoic acid +c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F 76E 2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide +CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC 76F (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F 76G 5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide +CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76H [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium +CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76J [(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N 76K [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium +C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 76L [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium +CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 76M [(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium +c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 76O [(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium +CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-] 76P ~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine +Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C 76Q 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C 76R [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F 76S 5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide +c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5 76T 5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O 76U (4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC 76V n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine +c1cc(c(nc1)N)N 76X pyridine-2,3-diamine +c1ccc(c(c1)Cn2cccc2C(=O)N)Cl 76Y 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide +CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O 76Z 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide +c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl 770 n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide +COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N 771 4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine +c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N 772 2-cyanoquinolin-8-yl dihydrogen phosphate +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C 773 cethromycin +c1cc(nc-2c1OCCc3c2scc3)C(=O)N 774 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide +CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1 775 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O 777 [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid +c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N 778 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4 779 1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea +C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl 77A 1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4 77B benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate +c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl 77C 2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile +CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C 77D 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O 77E (4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O 77F n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F 77G n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F 77H n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O 77I (1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO 77J n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide +Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F 77K 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F 77L 5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F 77M n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F 77N n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(oc1)CNc2cncc(n2)Cl 77O 6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F 77P n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F 77Q 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide +c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F 77R 5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide +c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F 77S n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O 77T 2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O 77U 2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile +Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5 77V n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine +C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O 77W (2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid +CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1 77X 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one +c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 77Y 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N 77Z 2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide +c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N 780 3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate +CCC(=O)Nc1ccc2c(c1)cccc2O 781 n-(5-hydroxynaphthalen-2-yl)propanamide +CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O 782 (2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid +COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4 783 3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N 784 [amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F 785 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate +C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O 786 (2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide +c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O 787 (phenyl-phosphono-methyl)-phosphonic acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5 788 n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O 789 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3 78A n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline +CCOC(=O)c1ccc(cc1)CN 78B ethyl 4-(aminomethyl)benzoate +c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3 78C cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate +C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O 78D (6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid +CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O 78E 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC 78F (2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid +COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N 78G 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium +c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N 78H 7,8-dihydropteroate +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4 78J (3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one +COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78K (2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 78L ~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide +CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 78M (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 78N (2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate +C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2 78O (2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid +C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N 78P (2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium +C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O 78Q (2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid +C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC 78R 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C 78S (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +OP(=O)[O-] 78T oxidanylphosphinate +C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N 78U (betas)-beta-methyl-l-tryptophan +COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 78V 4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one +CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F 78W 2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC 78X 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +Cc1c(nn(n1)c2ccccc2)C(=O)N 78Y 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F 78Z 2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1cc2c(c(c1)OP(=O)(O)O)NCCC2 790 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate +c1ccc(cc1)C(C(=O)O)C(=O)O 791 2-phenylmalonic acid +CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O 792 n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan +C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3 793 3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione +c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O 794 2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid +c1cc(cnc1)c2nc(cs2)C=O 795 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde +CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN 796 n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide +c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O 797 3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol +c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4 798 {4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone +Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N 799 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide +CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N 79A 3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 79B 11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N 79D 4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O 79E jc96 +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O 79F (2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid +CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC 79G (4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C 79H 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N 79I 3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C 79J 4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl 79K vercirnon +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O 79L (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 79M (2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O 79N (2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate +c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl 79O 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O 79P (2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 79Q 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C 79R (~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide +C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C 79S (2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide +CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N 79T 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide +CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F 79U 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid +c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F 79V (2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile +c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O 79W 3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde +COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O 79X 2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4 79Y n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4 79Z 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5 7A0 [(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4 7A1 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide +C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O 7A2 3-c-carboxy-2-deoxy-l-threo-pentaric acid +C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O 7A3 3-c-carboxy-2-deoxy-d-erythro-pentaric acid +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O 7A4 [(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid +C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F 7A5 (8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O 7A6 (2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol +[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC 7A7 methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=CC[C@@H](CC1)N(C)C 7A8 (1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine +c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5 7A9 palonosetron +COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl 7AA methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C 7AB (2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde +Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN 7AC 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile +CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N 7AD 9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide +CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5 7AE n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide +C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C 7AF ~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3 7AG ~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide +c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F 7AH 2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O 7AI (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl 7AJ 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O 7AK (+)-discodermolide +C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl 7AL chlorolissoclimide +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O 7AM [[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid +CC(=O)NCCc1c[nH]c2c1cccc2 7AN ~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide +C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O 7AO [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate +C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O 7AP (1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol +c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl 7AR (2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid +[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F 7AS 4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide +c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N 7AT 1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5 7AU (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol +CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl 7AV {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone +CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3 7AW n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N 7AX 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N 7AY 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O 7AZ phosphonato-calix[6]arene +C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N 7B0 (2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid +c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N 7B1 n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide +Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C 7B2 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde +Cc1c2cnnc(c2c(n1C)C)OC 7B3 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +Cc1c2cnnc(c2c(n1C)C)Cl 7B4 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C 7B5 methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate +C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O 7B6 (2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N 7B7 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea +c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N 7B8 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O 7B9 [5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC 7BA combretastatin a4 +C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N 7BB trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid +C=CC(=O)OCCC(=O)O 7BC 3-(acryloyloxy)propanoic acid +c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O 7BD 3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid +CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C 7BE (2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid +c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5 7BF 5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F 7BG 2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium +Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3 7BH 6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine +c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F 7BJ 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione +C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7BK 2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C 7BL (4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BN (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O 7BO (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F 7BP 5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7BQ (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F 7BR 2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C 7BS (4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside +COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 7BT (~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide +c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F 7BU [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc +c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O 7BV (4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C 7BW 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile +c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N 7BX 3-cyano-~{n}-cyclopropyl-benzenesulfonamide +CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC 7BY n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide +BN(C)C 7BZ n,n-dimethylboranamine +c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O 7C0 (1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate +[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N 7C1 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide +CCCCC[C@H](CCCCCN)OC(=O)O 7C2 (6r)-1-aminoundecan-6-yl hydrogen carbonate +C(CCN)CC(=O)C(=O)O 7C3 6-azanyl-2-oxidanylidene-hexanoic acid +CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O 7C4 (2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide +c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7C5 5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine +C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C 7C6 (3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7C7 n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7C8 [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate +COC[C@@H](C(=O)O)N 7C9 o-methyl-l-serine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O 7CA 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +c1cc2cnccc2c(c1)S(=O)(=O)N 7CB isoquinoline-5-sulfonamide +CCN(CC)C(=O)C[C@@H](C(=O)O)N 7CC n,n-diethyl-l-asparagine +c1ccc2c(c1)cccc2CN 7CD 1-(naphthalen-1-yl)methanamine +COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2 7CE n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine +C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C 7CF [3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br 7CG 2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O 7CH (2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N 7CI 7-cyano-7-deazainosine +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F 7CJ 3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O 7CK 7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +CCCCCCl 7CL 1-chloropentane +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F 7CM 3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br 7CN 3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide +c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F 7CO 2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C 7CP (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br 7CQ 5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide +c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2 7CR [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4 7CS (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate +CNS(=O)(=O)c1cccc2c1ccnc2 7CT ~{n}-methylisoquinoline-5-sulfonamide +C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N 7CU 5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O 7CV 6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose +C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C 7CW [3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N 7CY (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol +C1=CC=C(C(=S)C=C1)O 7CZ 2-hydroxycyclohepta-2,4,6-triene-1-thione +c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO 7D0 (1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol +C1CO[C@@H]([C@H]([C@@H]1O)O)CO 7D1 1,5-anhydro-2-deoxy-d-arabino-hexitol +C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO 7D2 (1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N 7D3 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N 7D4 [[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N 7D5 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate +CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O 7D6 (s)-orteronel +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N 7D7 [(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol +C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO 7D8 (1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C 7D9 (16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid +c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7DA 7-deaza-2'-deoxyadenosine-5'-monophosphate +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O 7DB (2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DC 4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 7DD 7-deazaadenosine-5'-diphosphate +CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C 7DE 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester +CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7DF dihydropentalenolactone f +C1C=NC2=C1C(=O)NC(=N2)N 7DG 7-deazaguanine +C(C=CC(=O)C(=O)O)O 7DH (3e)-5-hydroxy-2-oxopent-3-enoic acid +[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 7DI pf-07321332, bound form +C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O 7DJ n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DK methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DL ((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate +c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O 7DM 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid +Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O 7DN 2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid +CC(=O)NCCc1ccc(c(c1)O)O 7DP ~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N 7DQ 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3 7DR 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 7DS methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O 7DT 7-deazaadenosine-5'-triphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N 7DU (2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide +Cc1cc(ccc1O)O 7DV 2-methylbenzene-1,4-diol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O 7DW 11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O 7DX (2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid +C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F 7DY n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C 7DZ (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one +CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C 7E0 trichothecene +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O 7E1 6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O 7E3 5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O 7E4 11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid +c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O 7E5 (2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid +Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C 7E7 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine +CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O 7E8 (2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate +CCCCCC/C=C\CCCCCC(=O)OC(CO)CO 7E9 1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate +Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC 7EA 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine +CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7EB 4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O 7EC 4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O 7ED 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O 7EE (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol +CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C 7EF 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol +c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O 7EG 2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol +Cn1c2c(cc(cn2)c3ccccc3)nc1N 7EH 3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7EI (1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4 7EJ 1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide +CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC 7EK 5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O 7EL 2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol +c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O 7EM 4,4',4''-(thiene-2,3,5-triyl)triphenol +c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O 7EN (1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O 7EO 2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C 7EP (2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O 7EQ 2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one +c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O 7ER 3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione +c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O 7ES 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O 7ET 3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O 7EV 5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid +C1CC[C@H]2[C@@H](C1)O2 7EX (1r,6s)-7-oxabicyclo[4.1.0]heptane +Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O 7EY 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid +CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O 7EZ (4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5 7F1 (2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide +CCCCCC[C@H](CO)O 7F2 (2r)-octane-1,2-diol +c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N 7F3 (1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine +C1CCNC(=O)[C@@H](C1)N 7F4 (3~{r})-3-azanylazepan-2-one +Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F 7F5 3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O 7F6 (1r,2r)-1,2-diphenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O 7F7 [6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O 7F9 ~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide +CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F 7FA methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate +CCCC[C@H](CO)O 7FB (2r)-hexane-1,2-diol +c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O 7FC 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid +CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O 7FD ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl 7FE ~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide +COC(=O)N1CCCc2c1ccc(c2)N 7FF methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate +CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O 7FG ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate +C1=CC(=S)N(C=C1C(F)(F)F)O 7FH 1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione +c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 7FJ 4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol +CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O 7FK 15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione +c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O 7FL 4,4'-(cycloheptylidenemethylene)diphenol +CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F 7FM 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one +c1cc(oc1C(=O)O)C(=O)O 7FN 2,5 furan dicarboxylic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O 7FO 4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7FP 4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O 7FQ (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol +CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FR (9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol +CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C 7FS (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4 7FT 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine +c1cc2c(cc1C(=O)NN)sc(n2)NN 7FU 2-hydrazino-1,3-benzothiazole-6-carbohydrazide +Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C 7FV [2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone +CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O 7FW ~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide +c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F 7FX [2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3 7FY ~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide +Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O 7FZ (1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O 7G0 (1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O 7G1 (1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol +c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O 7G2 3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O 7G3 3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol +C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91 7G4 ruthenocene +c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O 7G5 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione +CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7 7G6 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO 7G7 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F 7G8 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F 7G9 ~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide +C[C@@H](CC(C)C)C(=O)O 7GA 2,4-dimethylpentanal +C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5 7GB 6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2 7GC 4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide +c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N 7GD 7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl 7GE pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-) +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN 7GF methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate +CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3 7GG 6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine +C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C 7GI repotrectinib +CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 7GJ 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide +c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4 7GK 2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C 7GL 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC 7GM (3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine +CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 7GP n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine +Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N 7GQ n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O 7GR (2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid +CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O 7GS {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5 7GT {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O 7GU 7-deaza-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4 7GV {(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone +C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O 7GW (2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O 7GX 6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O 7GY 6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide +CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O 7GZ 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol +CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C 7H0 7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide +c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 7H1 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide +CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N 7H2 (1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile +c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F 7H3 n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide +CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2 7H4 1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl 7H5 (3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid +CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C 7H6 (1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid +Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C 7H7 (1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7H8 1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C 7H9 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC 7HA n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine +CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl 7HC (2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl 7HD 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole +Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C 7HE 7-methyl-7-depropionatehemin +CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C 7HF 1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea +C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC 7HG 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone +c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O 7HH n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine +CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4 7HI (3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4 7HJ n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide +COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4 7HK methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate +c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O 7HL 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid +c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O 7HM 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid +c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O 7HN 3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid +c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O 7HO 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid +c1c2c(c(ncn2)O)[nH]n1 7HP 7-hydroxy-pyrazolo[4,3-d]pyrimidine +c1ccc2c(c1)ncn2CO 7HQ benzimidazol-1-ylmethanol +CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F 7HR ~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C 7HS (s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide +Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C 7HT 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone +C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C 7HU 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl 7HV 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid +CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O 7HW (4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid +c1c[nH]c2c1c(ncn2)O 7HX 7h-pyrrolo[2,3-d]pyrimidin-4-ol +CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3 7HY n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3 7HZ n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide +CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F 7I0 (2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5 7I1 3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide +c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N 7I2 7-nitroindazole-2-carboxamidine +c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7I5 (2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid +CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N 7I6 1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O 7I9 (1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O 7IA [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N 7ID (2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid +c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl 7IE flupyradifurone +COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F 7IF n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F 7IG 5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine +CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4 7IH n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide +CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C 7II sulfoxaflor +C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C 7IK (7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one +C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O 7IM n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide +c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N 7IN n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide +COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N 7IP 6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine +C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O 7IQ (5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6 7IZ 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4 7J0 (2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide +COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4 7J1 (2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name) +Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C 7J2 (4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one +C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N 7J3 (2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid +CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N 7J4 n-tert-butoxy-l-asparagine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N 7J5 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide +C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C 7J6 1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone +Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O 7J8 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O 7J9 6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid +CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O 7JA n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O 7JB ~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide +Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C 7JC 1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide +c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F 7JD 6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 7JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F 7JF 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F 7JG 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O 7JH 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl 7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione +c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F 7JJ 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C 7JK 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one +c1c(cc(c2c1C(=O)NC=N2)O)Br 7JL 6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one +Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O 7JM 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O 7JN 4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide +C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F 7JO n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide +c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F 7JP 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one +c1cc(ccc1c2cc3cncnc3c(c2)O)F 7JQ 6-(4-fluorophenyl)quinazolin-8-ol +CN1C=C(C=C(C1=O)O)c2ccccc2 7JR 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one +c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F 7JS 6-(4-fluorophenyl)quinolin-8-ol +c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2 7JT (3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide +c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F 7JU 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one +COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O 7JV 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one +c1cc(ccc1c2cc3c(c(c2)O)nccn3)F 7JW 7-(4-fluorophenyl)quinoxalin-5-ol +c1c2cc(cnc2c(cc1Br)O)Cl 7JX 6-bromanyl-3-chloranyl-quinolin-8-ol +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O 7JY 7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O 7JZ 2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O 7K0 (2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid +Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6 7K1 1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7K2 [(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O 7K3 1-thio-alpha-d-mannopyranose +C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 7K4 2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O 7K6 7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid +C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3 7K7 5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline +C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 7K8 [(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O 7K9 n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) +C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N 7KA 4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline +Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C 7KC pf-3758309 +CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F 7KD ~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1cc(ccc1c2nc(on2)CCCO)Cl 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol +Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O 7KF 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one +Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O 7KG 6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one +[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 7KH ~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine +Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2 7KJ (7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl 7KK 4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide +c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O 7KL 3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3 7KM 4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4 7KN [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide +c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl 7KO 6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O 7KP (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KQ (5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione +CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N 7KR (11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6 7KS (5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione +Cc1cc(c(c(c1)C)S(=O)(=O)NC)C 7KT ~{n},2,4,6-tetramethylbenzenesulfonamide +CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2 7KU 1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one +CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3 7KV 1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one +c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4 7KW n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine +CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2 7KX n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O 7KY methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate +CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 7KZ n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine +CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C 7L0 n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O 7L1 s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C 7L2 [[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C 7L3 (5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide +c1ccc(cc1)c2cc(c3ccccc3n2)O 7L4 2-phenylquinolin-4-ol +Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl 7L5 2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC 7L6 6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine +COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N 7L7 methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate +CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7 7L8 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O 7L9 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid +C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC 7LB (e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine +CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C 7LD (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide +CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7LE (5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid +Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F 7LF 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C 7LG (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid +c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O 7LH (1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid +CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3 7LI (5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione +Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4 7LK 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile +c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O 7LL 2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O 7LM n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide +c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N 7LN n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC 7LO [[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O 7LP (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide +C1C=C[C@H]([C@@H]([C@H]1CO)O)O 7LQ (1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol +CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7LR n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide +c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O 7LS 2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl 7LT (5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O 7LU 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one +CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl 7LV 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one +CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C 7LW (5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone +CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2 7LX (2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid +c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5 7LY 2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O 7LZ (3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one +c1c2c(cc(c1Br)Br)nn[nH]2 7M0 5,6-dibromobenzotriazole +c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O 7M1 phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4 7M2 (4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline +CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N 7M3 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O 7M4 6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid +c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4 7M5 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline +c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF 7M6 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide +c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O 7M7 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C 7M8 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O 7M9 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol +CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C 7MA n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide +CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O 7MB agelastatin a +CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7MC 5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N 7MD 5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine +C[C@H]1CCc2c(nc(nc2N)N)C1 7ME (7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine +c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br 7MF [(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7MG 7n-methyl-8-hydroguanosine-5'-monophosphate +CC1=CC(=S)N(C(=C1)C)O 7MH 1-hydroxy-4,6-dimethylpyridine-2(1h)-thione +C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C 7MI methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate +CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4 7MJ 3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide +c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+] 7MK [(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O 7ML [(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8 7MM methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate +CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O 7MN (z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium +Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F 7MP 7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C 7MQ menaquinone-7 (altered) +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N 7MR (2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide +CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O 7MS (5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid +c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9 7MT tb-xo4 +CNC(=O)c1cc(ccn1)Cl 7MU 4-chloranyl-~{n}-methyl-pyridine-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl 7MV n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide +CCC(=O)c1cc([nH]c1)C(=O)OC 7MW methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate +CCOC(=O)C1=CN(C(=O)C=C1Cl)C 7MX ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate +CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C 7MY 7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one +CC(=O)c1cccc(c1)Oc2ncccn2 7MZ 1-(3-pyrimidin-2-yloxyphenyl)ethanone +C1C[C@H](C(=O)C1)CC(=O)O 7N0 2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid +c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F 7N1 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile +c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5 7N2 (4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline +c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N 7N3 2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide +B(c1ccc(c(c1)Cl)OCc2ccccc2F)O 7N4 {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid +CCCCC(=O)C(=O)O 7N5 2-ketohexanoic acid +CCCC[C@H](C(=O)O)O 7N6 (2r)-2-hydroxyhexanoic acid +B(c1ccc2ccccc2c1)(O)O 7N7 naphthalen-2-ylboronic acid +B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O 7N8 4-borono-l-phenylalanine +COc1ccc(cc1C[NH3+])Cl 7N9 (5-chloranyl-2-methoxy-phenyl)methylazanium +Cc1cc(cc2c1ccc(c2C(=O)O)O)OC 7NA 2-hydroxy-7-methoxy-5-methyl naphthoic acid +CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F 7NB 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3 7NC 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one +B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O 7ND (3-bromo-5-phenoxyphenyl)boronic acid +CCOC(=O)c1nc(cs1)C(=O)O 7NF 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid +CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C 7NG 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide +c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N 7NH [2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea +c1cc2cn[nH]c2c(c1)[N+](=O)[O-] 7NI 7-nitroindazole +B(c1ccc(c(c1)Br)C)(O)O 7NJ (3-bromo-4-methylphenyl)boronic acid +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NL 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +B(c1ccc(c(c1)OCc2ccccc2)C)O 7NM [3-(benzyloxy)-4-methylphenyl]borinic acid +C[C@H]1CCc2ccc(cc2C1=O)OC 7NP (2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one +CCC(=O)Nc1nc2ccccc2c(n1)OCC 7NQ ~{n}-(4-ethoxyquinazolin-2-yl)propanamide +B(c1cc(cc(c1)Br)N2CCCC2)O 7NS [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid +CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3 7NT ~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide +c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O 7NU phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside +CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 7NV 5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1nc(cs1)C(=O)O 7NW 2-methyl-1,3-thiazole-4-carboxylic acid +C1CCC(CC1)COC(=O)O 7NX cyclohexylmethyl hydrogen carbonate +c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O 7NZ 4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol +c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O 7O0 (~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid +c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O 7O2 [(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O 7O3 2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide +c1cc(oc1)c2cc([nH]n2)C(=O)O 7O4 3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid +C([C@@H](C(=O)O)N)NC(=O)CS 7O5 (2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid +Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O 7O6 [(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7O7 (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl 7O8 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O 7O9 (2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 7OA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-] 7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate +CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC 7OC [3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate +CC[C@H](C/C=C(\C)/C(=O)O)O 7OD (2e,5r)-5-hydroxy-2-methylhept-2-enoic acid +C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F 7OE 4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine +c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl 7OF (~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide +Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4 7OG [(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone +c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O 7OI (1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F 7OJ (3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O 7OK n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer +c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OL (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol +Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4 7OM (3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O 7OO [(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F 7OP [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone +c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 7OQ (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol +COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O 7OR (1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O 7OS (2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C 7OT spheroidene +c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2 7OU 6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F 7OV [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C 7OX 7-oxo-simocyclinone d8 +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F 7OY (3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone +C(CF)[C@@H](C(=O)O)N 7OZ (s)-2-amino-4-fluorobutanoic acid +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O 7P0 n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O 7P1 2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O 7P2 2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid +c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O 7P3 2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid +Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F 7P4 [(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone +[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7 7P7 n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O 7P9 [(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate +C(CP(=O)(O)O)CP(=O)(O)O 7PA propane-1,3-diylbis(phosphonic acid) +c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN 7PC 2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol +C1=NC2=C(NC1=O)N=C(NC2=O)N 7PD 2-aminopteridine-4,7(3h,8h)-dione +CCOCCOCCOCCOCCOCCOCCO 7PE 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol +CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C 7PF pentalenolactone f +COCCOCCOCCOCCOCCOCCOCCOCCO 7PG 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O 7PH (1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate +C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N 7PJ [(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N 7PM (2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid +Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O 7PP 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN 7PQ 4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CC(=O)O[Pr](OC(=O)C)OC(=O)C 7PR praseodymium triacetate +CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N 7PS 2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide +C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O 7PT pentalenolactone +c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N 7PV 4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F 7PW n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4 7PY 7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2 7Q1 (5r)-5-phenyl-1,3-oxazolidine-2,4-dione +COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O 7Q5 methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5 7Q7 2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC 7Q9 [(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate +C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O 7QA (2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O 7QB (2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide +C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O 7QD (2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid +C(=N/O)(\C(=O)O)/C(F)(F)F 7QE (2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid +C(=NNC(=O)N)(C(=O)O)C(F)(F)F 7QH (2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid +CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O 7QM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O 7QN (e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O 7QP (1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid +CC(=O)Nc1nc2cc(ccc2s1)OC 7QQ n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide +c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2 7QS (5r)-5-phenyl-1,3-thiazolidine-2,4-dione +CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl 7QU 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2 7QV (5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2 7QY (5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O 7R0 2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2 7R1 (5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC 7R2 n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide +c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4 7R3 (2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2 7R4 (5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O 7R6 2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2 7R7 (5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one +CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O 7R9 5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N 7RA 7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate +C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O 7RC (2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid +C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C 7RD (r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one +CC1=NC(=O)CC=C1 7RE 6-methyl-3h-pyridin-2-one +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5 7RG 6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CNC(=O)c1c2cc(ccc2[nH]n1)Br 7RI 5-bromanyl-n-methyl-1h-indazole-3-carboxamide +CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 7RM 5'-o-(acetylsulfamoyl)adenosine +Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC 7RN n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C 7RO tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O 7RP 7-alpha-d-ribofuranosyl-purine-5'-phosphate +Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3 7RS n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide +CNC(=O)c1cccc2c1cc[nH]2 7RT n-methyl-1h-indole-4-carboxamide +CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl 7RU 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea +c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5 7RV n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide +C1C[C@@H](NC1)CC(=O)O 7RX (r)-homoproline +c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4 7RY n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide +C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N 7S1 n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine +CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3 7S4 n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide +Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN 7S7 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C 7S9 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO 7SA acarbose derived heptasaccharide +c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl 7SB n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine +Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N 7SD n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide +c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O 7SE (3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O 7SG (2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O 7SI (1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol +CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC 7SJ 2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde +CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O 7SK (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid +CNC(=O)c1cc([nH]n1)c2ccco2 7SL 5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide +COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SM 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N 7SP (2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide +COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7SS 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O 7SV 6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C 7SW 3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid +Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C 7SX [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O 7SY 6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C 7T1 {2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4 7T7 n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide +CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C 7T8 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F 7T9 n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide +CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3 7TA n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide +CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N 7TD n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl 7TJ n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide +COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F 7TL (2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid +CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TM 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F 7TO 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O 7TP 5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde +Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6 7TQ 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C 7TR 4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O 7TS (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7TV 6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O 7TX 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide +c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7TY 6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 7U1 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid +Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2 7U2 (3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine +c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3 7U3 7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O 7U4 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N 7U6 2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O 7U7 6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl 7U8 methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate +c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N 7U9 2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide +c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O 7UA 6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6 7UB (3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one +C[C@H](CC(=O)O)NCC(=O)O 7UC (3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4 7UD 6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4 7UG 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F 7UI 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3 7UJ 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid +C1[C@H](CNC1=O)O 7UK (r)-4-hydroxy-2-pyrrolidone +c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F 7UL 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione +Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F 7UN (8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one +[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N 7UP 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide +C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 7UR 4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid +Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 7US (3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate +CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 7UU ~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O 7UV (3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid +CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3 7UX 1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3 7UY 6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid +C1CCC(CC1)CC(C(=O)O)C(=O)O 7UZ 2-(cyclohexylmethyl)propanedioic acid +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3 7V1 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N 7V3 (s)-(4-chlorophenyl)-phenyl-methanamine +CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3 7V4 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid +C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4 7V5 ~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine +Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O 7V6 5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid +CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 7V7 n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O 7V9 ~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate +Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC 7VA (5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC 7VC 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol +CC(=O)CP(=O)(O)O 7VD (2-oxopropyl)phosphonic acid +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O 7VF 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol +B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O 7VG {3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +CNC1=C(C(=O)NC(=N1)N)N=O 7VJ 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one +Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl 7VL 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol +CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4 7VM n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide +CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O 7VO (2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid +Cc1c[nH]c(n1)c2ccccc2 7VP 4-methyl-2-phenyl-1h-imidazole +CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3 7VR 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime +c1ccc2c(c1)/C(=N/N)/C=CN2 7VS (4e)-4-hydrazinylidene-1,4-dihydroquinoline +Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3 7VT 5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide +CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC 7VV (6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C 7VX (4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid +COc1cccc(c1)C[C@H]2CCCNC2 7VY (3r)-3-[(3-methoxyphenyl)methyl]piperidine +COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N 7VZ methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W0 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid +Cc1cnc2ccccc2c1N 7W1 3-methylquinolin-4-amine +Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N 7W3 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid +Cc1c(n2ccccc2n1)N 7W4 2-methylimidazo[1,2-a]pyridin-3-amine +Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N 7W6 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3 7W7 (3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide +Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N 7W9 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid +c1cc(c2c(c1)[nH]cn2)N 7WA 1h-benzimidazol-4-amine +c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2 7WB (2z)-2-indol-3-ylidene-3h-1,3-thiazole +c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N 7WD (6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine +C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O 7WF 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid +c1c([nH]c(n1)N)C2CC2 7WG 5-cyclopropyl-1h-imidazol-2-amine +COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O 7WH 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +COCCNC(=O)Nc1cccc(c1)Cl 7WI 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea +c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N 7WJ (2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid +CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F 7WL 3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide +c1ccc2c(c1)ccc(c2C=O)O 7WO 2-hydroxynaphthalene-1-carbaldehyde +c1c(nc2c(nc(nc2n1)N)N)C=O 7WP 2,4-diaminopteridine-6-carbaldehyde +COc1ccc(c(c1)C=O)O 7WQ 2-hydroxy-5-methoxybenzaldehyde +COc1cc(cc(c1O)O)C(=O)O 7WR 3-methoxy-4,5-bis(oxidanyl)benzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C 7WU methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate +c1ccc(c(c1)C(=O)O)Br 7WV 2-bromobenzoic acid +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C 7WX methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate +Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl 7WY 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine +CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C 7X0 (1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid +COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl 7X1 n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X2 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine +COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC 7X3 n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X4 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X5 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine +CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl 7X6 n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide +c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl 7X7 n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N 7X8 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide +C(CCCN)CCC(=O)NO 7XA 7-amino-n-hydroxyheptanamide +Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F 7XB 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide +[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N 7XC (2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4 7XD 1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O 7XF (2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid +Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F 7XG 2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide +CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5 7XH ~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide +c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N 7XJ 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O 7XL [[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid +c1cc2c(ccnc2N)cc1N 7XM isoquinoline-1,6-diamine +CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4 7XN 5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide +CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5 7XO n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N 7XP (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6 7XR 9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C 7XS 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6 7XU 9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine +CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC 7XV 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine +COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3 7XW n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide +Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl 7XX 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide +c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4 7XY {(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid +Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl 7Y0 4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide +CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C 7Y1 3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine +c1cnn(c1)S(=O)(=O)c2ccc(s2)Br 7Y3 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole +CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C 7Y4 (3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl 7Y6 4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O 7Y7 5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide +[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N 7Y9 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide +C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YA (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2 7YC (e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile +[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1 7YF (2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide +CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N 7YG 3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br 7YH 2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O 7YJ (2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide +C1=CC(=O)N[C@H]1C(=O)O 7YL (2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid +Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O 7YM n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O 7YN 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea +C1CC(=O)N[C@H]1C(=O)O 7YO (2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid +CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN 7YP (2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2 7YR (2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide +Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C 7YS (10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O 7YU (+)-yatakemycin +Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C 7YV (1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid +Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C 7YY 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione +COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F 7Z0 n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide +CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F 7Z1 (2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone +c1cc(cc(c1)N2CCCC2)CN 7Z3 1-(3-pyrrolidin-1-ylphenyl)methanamine +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O 7Z4 5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide +CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2 7Z5 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid +c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl 7Z6 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O 7Z7 (2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide +Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N 7Z9 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one +CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N 7ZA 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C 7ZB 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CN(C)Cc1c[nH]c2c1cc(cc2)OC 7ZC 1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O 7ZD (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide +c1cc2c(cccn2)c(c1)[N+](=O)[O-] 7ZE 5-nitroquinoline +c1ccc(cc1)Nc2ncnc(n2)N 7ZF n-phenyl-1,3,5-triazine-2,4-diamine +c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZG n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 7ZH methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N 7ZJ n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZK 2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +c1ccc(cc1)Nc2c(cnc(n2)N)Cl 7ZL 5-chloro-n4-phenylpyrimidine-2,4-diamine +c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O 7ZM n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide +c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O 7ZN 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid +c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one +c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F 7ZP 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea +C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl 7ZQ 3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide +COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-] 7ZR 3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide +c1cc(c(c(c1)C(=O)O)O)C=O 7ZS 3-methanoyl-2-oxidanyl-benzoic acid +Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C 7ZT 2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine +C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C 7ZU (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl 7ZV 5-hydroxydiclofenac +CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F 7ZW 2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O 7ZY 1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea +c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] 801 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F 802 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C 803 lovastatin +c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6 804 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole +[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N 806 7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F 808 n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide +Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO 809 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione +c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3 80A (r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol +COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5 80C 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N 80F (2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid +c1cc(sc1)c2ccc(cc2)CN 80G 1-(4-thiophen-2-ylphenyl)methanamine +CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C 80H ~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide +CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2 80K tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2 80L 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid +c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O 80M sulfonato-thiacalix[4]arene +[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3 80O n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide +CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O 80P (4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ncc1C(F)(F)F)OC2CCNCC2 80Q 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine +c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2 80R 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one +Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 80U 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C 80V 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid +CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl 80X n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC 80Z 1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide +CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC 810 ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl 811 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid +c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3 812 n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC 814 [(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1 815 thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide +Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N 816 1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one +[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F 817 1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene +CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C 818 18-hydroxyascomycin +CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C 819 ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate +[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C 81A 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester +C1CCC(C1)NC(=O)C(=O)O 81B (cyclopentylamino)(oxo)acetic acid +CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC 81C n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide +C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O 81E (1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br 81F 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O 81G (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F 81H (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol +c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F 81I (4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one +CCOc1ccc(cc1)C(=O)O 81J 4-ethoxybenzoic acid +CCCCCC/C=C\CCCCCCCC=O 81K (z)-hexadec-9-enal +CCSc1ccc(cc1)C(=O)O 81M 4-(ethylsulfanyl)benzoic acid +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C 81O 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid +CNc1ccc(cc1)C(=O)O 81P 4-(methylamino)benzoic acid +C([C@H](CS)S)[C@@H](C(=O)O)N 81R (4r)-4,5-disulfanyl-l-norvaline +C([C@@H](CS)S)[C@@H](C(=O)O)N 81S (4s)-4,5-disulfanyl-l-norvaline +c1ccc2c(c1)nc3cc(c(cc3n2)O)N 81U 3-azanylphenazin-2-ol +C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O 81V n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide +c1ccc2c(c1)C(=NNC2=O)CN 81X 4-(aminomethyl)phthalazin-1(2h)-one +CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 81Y 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 820 (2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 821 [4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid +CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 822 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide +C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS 823 n,n-bis(3-sulfanylpropyl)-l-asparagine +c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O 824 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3 825 [{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid +c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O 826 1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O 827 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O 829 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine +c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F 82A (s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide +Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br 82B 3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F 82D (3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N 82E 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 82F n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F 82G (3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine +CNC1=C(C(=O)N(N=C1)C)Cl 82I 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one +CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C 82J 3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide +CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O 82K (2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid +Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO 82M n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide +C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8 82N nickel iron clsuter with cyanide bound +Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C 82O (3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 82R (1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol +C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br 82S (1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 82V 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one +C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C 82W [(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O 82X 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid +c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO 82Y n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K] 830 dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate +CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F 831 n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)N 833 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C 834 n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide +CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N 835 (3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione +Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-] 836 n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide +CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4 837 ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate +C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC 838 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone +c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O 839 3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N 83A n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid +C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O 83B [(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate +c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O 83D 5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83E n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4 83G 1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione +CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C 83H 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one +CCOC(=O)CC(=O)CCl 83I ethyl 4-chloranyl-3-oxidanylidene-butanoate +Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC 83J 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C 83K n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1 83L 10,20-diphenyl-5,15-diaza-porphyrin containing fe +CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O 83M n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine +c1[nH]c(nn1)C[C@@H](C(=O)O)N 83O (2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid +CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6 83P (r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN 83Q 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine +c1ccc2c(c1)c3ccccc3s2 83R dibenzothiophene +CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2 83S 5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C 83T propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1ccc2c(c1)-c3ccccc3S2=O 83U dibenzothiophene 5-oxide +c1ccc(cc1)CC[C@@H](CCC(=O)O)N 83V (4s)-4-amino-6-phenylhexanoic acid +CC(=O)c1c(cc(cc1O)O)O 83X 1-[2,4,6-tris(oxidanyl)phenyl]ethanone +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O 83Y 3-o-sulfo-alpha-l-rhamnopyranose +C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O 840 platensimycin a1 +c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3 841 ~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O 842 n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide +CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 843 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide +COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine +C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N 845 n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O 846 [4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide +c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-] 847 2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate +c1ccc(c(c1)N)OCc2cccnc2 848 2-(pyridin-3-ylmethoxy)aniline +CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F 849 2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine +c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N 84A p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N 84D dibekacin +C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC 84F (3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N 84G arbekacin +COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3 84H (5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N 84I methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate +C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O 84J [(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid +c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5 84M n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide +COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3 84N (5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one +COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N 84O methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate +Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6 84P n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N 84R 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F 84S n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide +CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 84T [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid +c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F 84U 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+] 84W [7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium +c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5 84X 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol +COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N 84Z methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate +C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC 851 n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 852 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 853 5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid +CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2 854 ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4 855 2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine +COC(=O)c1ccc(cc1)C(=O)OCCO 856 o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate +CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl 857 4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide +CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C 858 c32-o-(1-ethyl-indol-5-yl)ascomycin +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O 859 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N 85A 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile +Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F 85B 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid +Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O 85C 1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea +CC1([C@@H]2CC=C([C@H]1C2)CBr)C 85D (1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F 85E {7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium +C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N 85F (2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid +CCNC(=O)CC[C@@H](C(=O)O)N 85G n-ethyl-l-glutamine +CCCNC(=O)CC[C@@H](C(=O)O)N 85J n-propyl-l-glutamine +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N 85K (7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium +C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O 85M (2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol +c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl 85P 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC 85R [(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate +CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6 85S 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N 85T 4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 85U methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO 85V 1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol +Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6 85X 12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole +c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 85Y 2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate) +Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F 85Z (e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid +c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl 860 2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide +COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 861 3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N 862 1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C 863 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one +CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O 864 (2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid +Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7 865 7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid +CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl 866 5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide +[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O 867 methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C 869 (1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O 86A (2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid +CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O 86B 4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide +Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F 86C 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F 86D 3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile +c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5 86H 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide +Cc1c(n2cc(ccc2n1)F)N 86J 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine +CC(C)Oc1ccc(cc1Cl)CN 86L (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine +COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O 86M 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde +c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N 86N (2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate +c1ccc-2c(c1)CCc3c2nnc(c3)N 86Q 5,6-dihydro-benzo[h]cinnolin-3-ylamine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N 86S [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86U 6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86V (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3 86X 6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O 86Y (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol +COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N 870 n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide +CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2 871 2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N 872 (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one +c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O 873 3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one +CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2 874 (2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 876 n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide +CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N 877 n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide +c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O 878 5-iodo-2-(oxalyl-amino)-benzoic acid +c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl 879 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine +C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O 87C 3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one +CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C 87D n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide +C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C 87E (2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid +c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3 87F 3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one +CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F 87G n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide +C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3 87H (2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide +Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O 87J (s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +c1ccc(cc1)[C@@H](C(=O)O)n2cccc2 87L (2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid +CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4 87M n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87N [(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O 87O phosphono hexadecanoate +Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O 87P n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide +CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C 87R 6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N 87S 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide +Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN 87T n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2 87U (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione +Cc1c(cc([nH]1)c2ccccc2)C(=O)N 87V 2-methyl-5-phenyl-1h-pyrrole-3-carboxamide +C1CCC(CC1)CCCCC(=O)O 87X 5-cyclohexylpentanoic acid +C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3 87Y 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O 87Z [(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5 880 cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N 881 n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide +CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 882 (3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid +CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4 883 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea +Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O 885 1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline +CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C 886 n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 887 n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O 888 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one +CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C 889 n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide +CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5 88A 8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine +C(CC(=O)O)C(=O)NN 88B 4-diazanyl-4-oxidanylidene-butanoic acid +CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC 88C 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3 88D n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide +Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4 88E 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine +Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3 88G nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide +CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O 88I (3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one +Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O 88J (s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol +CCc1ccc(cc1)OP(=O)(O)O 88L (4-ethylphenyl) dihydrogen phosphate +CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C 88M 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88N {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid +CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2 88P ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate +C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O 88Q 1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol +COc1ccc(cc1OC)CC(C(=O)O)C(=O)O 88R 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N 88S n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide +Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC 88U n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O 88V (4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid +CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C 88W n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide +CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3 88X 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one +Cc1c(cc([nH]1)c2ccccc2N)C(=O)C 88Y 1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one +COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F 88Z n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3 890 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one +C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C 891 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br 892 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide +CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N 893 5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl 894 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl 895 2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide +CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C 896 n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C 897 n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide +C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C 898 (e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide +C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C 89A 2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide +CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 89C 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one +CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O 89D 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 89E 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole +CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC 89F 1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine +CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC 89G 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one +CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4 89I 5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine +CNC1=CC(=O)N(N=C1c2ccccc2)C 89J 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one +C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O 89L (e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN 89M nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide +C(/C=C/CO)O 89N (2e)-but-2-ene-1,4-diol +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 89O (5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C 89R fluorinated heme +CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN 89S nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide +COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4 89U 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one +CC(C)([C@@H](C(=O)O)O)O 89V (2s)-2,3-dihydroxy-3-methylbutanoic acid +c1ccc(cc1)C(=O)N[C@@H]2CCCNC2 89W n-[(3r)-piperidin-3-yl]benzamide +CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2 89X (2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide +C1[C@@]([C@H](C(=O)O1)O)(CO)O 89Y (3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one +Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C 8A0 (4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +C[C@](CO)(C(=O)O)O 8A1 (2s)-2,3-dihydroxy-2-methylpropanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N 8A3 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O 8A4 (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol +COc1ccc(cc1OC)CN2CCOCC2 8A5 4-[(3,4-dimethoxyphenyl)methyl]morpholine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N 8A6 4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5 8A7 (5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AA 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine +Cc1cccc(n1)N2CCN[C@H](C2)C 8AB (3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine +C(CCCC(=O)O)CCCN 8AC 8-aminooctanoic acid +CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N 8AD 9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide +c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N 8AF [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8AG 8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) +Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8AH 5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine +CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl 8AJ 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine +Cc1cc(no1)C(=O)N(C2CC2)C(C)C 8AK n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C 8AM n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N 8AN 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N 8AO (4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)CNc2cccnc2N 8AP n~3~-benzylpyridine-2,3-diamine +O[As](=O)([O-])[O-] 8AR hydrogen arsenate +C1COCCN1CCC(=O)O 8AS 3-(morpholin-4-yl)propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N 8AU (4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C1CCC(CC1)[C@@H](CN)N 8AV (1s)-1-cyclohexylethane-1,2-diamine +CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3 8AW 1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F 8AX 6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N 8AY 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine +C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O 8AZ 8-aza-nebularine-5'-monophosphate +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N 8B0 (4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4 8B1 n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@H](c1ccc(cc1)N2CCOCC2)N 8B2 (1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N 8B3 (4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile +C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F 8B4 (1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol +c1coc2c1c(c3c(c2)OC(=O)C=C3)O 8B6 4-oxidanylfuro[3,2-g]chromen-7-one +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O 8B7 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O 8B9 2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose +c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N 8BA 8-bromo-deoxyadenosine-5'-monophosphate +C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O 8BB trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid +CC(=O)Nc1cccc(c1C(=O)O)F 8BC 2-acetamido-6-fluorobenzoic acid +COc1ccccc1\C=N/OCCC(=O)O 8BD 3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid +C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BF (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N 8BG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate +C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C 8BI (1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine +CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O 8BJ (2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BL (5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one +CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C 8BM 4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium +Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C 8BN tegoprazan +C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8BO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C 8BP n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O 8BQ 7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8BR 8-bromo-adenosine-5'-monophosphate +CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C 8BS n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide +CS(=O)(=O)NC1CCCC1 8BT n-cyclopentylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N 8BU [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid +CC(C)Oc1ccccc1C(=O)N 8BV 2-[(propan-2-yl)oxy]benzamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F 8BX 6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N 8BY 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide +Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO 8BZ n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide +CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C0 (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3 8C1 4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide +Cc1c(c(n[nH]1)C)CNC2CCCCC2 8C2 n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine +CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3 8C3 n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide +CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5 8C5 8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N 8C6 [(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid +CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8C9 (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one +c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3 8CA 9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O 8CB (1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol +CNC(=O)c1cc(c[nH]1)c2ccncc2 8CC n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N 8CD 1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C 8CE soraprazan +CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CF n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide +CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC 8CG 1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide +C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C 8CH methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate +Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C 8CK n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine +c1ccc(cc1)Cl 8CL chlorobenzene +c1cc2c(c(c1)O)OC(=O)C=C2 8CM 8-hydroxycoumarin +C[C@H]1CCCCN1C(=O)[C@@H](C)N 8CN (2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one +CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CO n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O 8CP 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine +CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC 8CR n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide +C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O 8CS (2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C 8CT (6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC 8CU n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide +[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1 8CV n-(2-phenylethyl)imidodicarbonimidic diamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F 8CX 6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O 8CY ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form +Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2 8CZ n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide +CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C 8D0 (6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol +[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC 8D1 5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide +CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O 8D3 (6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol +c1ccc(cc1)c2c(nn[nH]2)C(=O)O 8D4 5-phenyl-1h-1,2,3-triazole-4-carboxylic acid +c1cnccc1c2c[nH]c(c2Cl)C(=O)N 8D6 3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide +CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O 8D7 (1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O 8D8 (3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide +C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O 8DA 8-oxodeoxyadenosine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N 8DD 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate +c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 8DE 2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O 8DG 8-oxo-2'-deoxyguanosine-5'-triphosphate +CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1 8DH n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5 8DJ 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N 8DM n-(4-aminobenzene-1-carbonyl)-l-glutamic acid +Cc1cc(cc(c1)n2cc(nn2)C)C 8DN 1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole +Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O 8DP 8-demethyl-8-aminoriboflavin-5'-phosphate +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4 8DQ 8-phenyl-2-piperazin-1-yl-chromen-4-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3 8DR (s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid +c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl 8DS 4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide +CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8DT 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl 8DU n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6 8DV (r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine +C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O 8DX (2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N 8DY 3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide +COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC 8DZ (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate) +c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N 8E1 4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide +CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6 8E2 preladenant conjugate psb-2113 +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F 8E3 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O 8E4 (3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F 8E6 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +CCCCCCCCCCNCCS 8E7 2-(decylamino)ethane-1-thiol +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N 8E8 1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O 8E9 1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate +CCCCCCCCCCNCCSSCc1ccc(cc1)Cl 8EA n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine +c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F 8EC 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide +Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O 8EF 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +Cc1ccc(cn1)C(=O)N 8EJ 6-methylpyridine-3-carboxamide +c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O 8EK 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid +Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O 8EL 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7 8EM n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide +Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F 8EN ~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide +Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C 8EO 2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O 8EP (2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8EQ 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7 8ES n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide +c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3 8ET ~{n}-quinolin-5-ylpyridine-3-carboxamide +CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-] 8EU ethyl-[(4-nitrophenyl)methoxy]phosphinic acid +CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N 8EV 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +CC(=CC(=O)O)CC(=O)O 8EW 3-methylpent-2-enedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O 8EX 2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N 8EY 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile +C[C@H]1CCCC[C@H]1C(=O)O 8EZ (1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4 8F0 (3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N 8F1 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile +c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F2 (r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide +c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O 8F3 4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide +C1CCNC(=O)[C@H](C1)N 8F4 (3~{s})-3-azanylazepan-2-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O 8F5 3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C 8F6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one +Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N 8F7 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile +Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8F9 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one +C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C 8FB (3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4 8FC ~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N 8FD 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile +CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 8FF (4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one +CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N 8FG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene +C(C(Cl)(Cl)Cl)O 8FH 2,2,2-tris-chloroethanol +CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4 8FK (2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide +Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O 8FL 2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC 8FM (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6 8FN 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one +Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O 8FP n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4 8FQ ~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide +Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl 8FR 2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine +C#Cc1ccc(cc1F)F 8FS 1-ethynyl-2,4-difluorobenzene +[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC 8FT 2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl 8FU [6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6 8FV 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole +[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4 8FW ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide +C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl 8FX [6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone +CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5 8FY n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1cc(cnc1)Oc2ccc(o2)CN 8FZ (5-pyridin-3-yloxyfuran-2-yl)methanamine +c1cc(cc(c1)C(=O)O)C(=O)O 8G0 benzene-1,3-dicarboxylic acid +c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F 8G1 (3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile +COC(=O)c1ccc(cc1)C[NH3+] 8G2 (4-methoxycarbonylphenyl)methylazanium +Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3 8G3 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol +c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F 8G4 (1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3 8G5 (4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one +Cc1cc2nccc(n2n1)c3ccc(cc3)Cl 8G6 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine +CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C 8G7 (2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +Cn1cnc2c1nc(nc2)Cl 8G8 2-chloranyl-9-methyl-purine +C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O 8GA 5-se-methyl-5-seleno-alpha-d-ribofuranose +CC(=O)c1cc(cc(c1O)CCl)Cl 8GB 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone +C[n+]1cccc(c1)C(=O)N 8GC 3-carbamoyl-1-methylpyridin-1-ium +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O 8GD 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) +c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N 8GE 4-(1~{h}-indol-2-yl)benzenesulfonamide +Cc1nccc(n1)N 8GF 2-methylpyrimidin-4-amine +C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O 8GG 5-se-methyl-5-seleno-beta-d-ribofuranose +c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N 8GH 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide +CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O 8GI 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C 8GJ (2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1ccc2c(c1)cccc2C(=O)NO 8GK ~{n}-oxidanylnaphthalene-1-carboxamide +C(C[C@](C(=O)O)(N)O)C(=O)O 8GL (2s)-2-azanyl-2-oxidanyl-pentanedioic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O 8GM [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 8GN ~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide +CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C 8GO (2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one +C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 8GP n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine +c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO 8GQ pyrazolo-pyrimidine macrocycle +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O 8GR (2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O 8GS 2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O 8GT 8-oxo-guanosine-5'-triphosphate +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O 8GU (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one +CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C 8GV 6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one +COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O 8GX (2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one +C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C 8GY 2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one +CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4 8H0 n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N 8H1 2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +c1cc2c(cc1N)cn[nH]2 8H4 1~{h}-indazol-5-amine +CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C 8H5 verruculogen +CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O 8H6 s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate +c1cc(c(cc1O)F)C#N 8H8 2-fluoro-4-hydroxybenzonitrile +C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8HB (2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid +c1cc2ccc(nc2c(c1)O)C(=O)O 8HC 8-hydroxyquinoline-2-carboxylic acid +Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O 8HD n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide +c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N 8HE 4-(4-cyanophenyl)benzenesulfonamide +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O 8HF propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O 8HG 2'-deoxy-8-oxoguanosine +CCNc1cc(nc2n1ncc2)c3cccnc3 8HH ~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O 8HI (3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid +c1cc2c(cc1O)NC(=O)CC2 8HJ 7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one +c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N 8HK 4-pyridin-3-ylbenzenesulfonamide +CCCCCCCc1cc(cc(c1C(=O)O)O)O 8HL 2-heptyl-4,6-bis(oxidanyl)benzoic acid +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O 8HM 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2 8HN 2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid +Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 8HO 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid +c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl 8HP 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +c1cc2c(ccnc2c(c1)O)C(=O)O 8HQ 8-hydroxyquinoline-4-carboxylic acid +CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4 8HR propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate +CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C 8HS [(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate +[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4 8HT ~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide +CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O 8HV 5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F 8HW 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid +c12c([nH]c(n1)O)NC(=O)NC2=O 8HX 8-hydroxy-3,9-dihydro-1h-purine-2,6-dione +c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3 8HY n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide +Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O 8HZ 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol +COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N 8I1 2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine +C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C 8I2 (3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone +CCCCCCCCCc1cc(cc(c1C(=O)O)O)O 8I6 2-nonyl-4,6-bis(oxidanyl)benzoic acid +CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8I9 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate +c1cc(c(cc1C(=O)O)O)C(=O)O 8IB 2-hydroxyterephthalic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N 8ID nicotinamide-8-iodo-adenine-dinucleotide +Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C 8IE (4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine +c12c([nH]c(n1)I)N=C(NC2=O)N 8IG 8-iodo-guanine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F 8IM 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide +Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N 8IN [3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC 8IO [(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate +c1cc(cc(c1)c2cccnc2)CNc3cccnc3N 8IP n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine +COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4 8IR n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide +CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4 8IU (3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine +C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C 8IX n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J0 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N 8J1 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C 8J2 propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate +C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C 8J3 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC 8J4 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine +CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C 8J6 4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine +Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N 8J7 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC 8J8 ~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide +CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O 8J9 (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N 8JB (2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid +CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F 8JC n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide +CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8JD [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O 8JE 5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C 8JF n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O 8JG (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid +CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JH ~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O 8JI n-succinyl-l-phenylglycine +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O 8JJ 5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O 8JL 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4 8JM 4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO 8JN 1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F 8JO 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC 8JP 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide +CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8JQ ~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O 8JR 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid +c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F 8JS 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide +c1cc2c(cc1C[NH2+]C3CCCC3)OCO2 8JT 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium +O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3 8JU fe4-s4-o cluster +Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O 8JV (2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid +C1=C(C(=O)NC=C1C(F)(F)F)N 8JW 3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one +COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O 8JX 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid +CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O 8JY [2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate +CCCCOC(=O)C 8JZ butyl acetate +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O 8K0 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O 8K1 5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine +c1cc(sc1S(=O)(=O)N)Cl 8K2 5-chloranylthiophene-2-sulfonamide +COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F 8K4 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone +c1cc(ccc1CSC(=[NH2+])N)Cl 8K5 [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium +CCCCCCCCCCCCCCCCCC 8K6 octadecane +COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F 8K7 1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one +CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO 8K8 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione +CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O 8K9 (1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O 8KA 2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +C1COC[C@@H](CN1)O 8KB (6~{r})-1,4-oxazepan-6-ol +CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O 8KC (2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid +c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KD 2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one +c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O 8KG 2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O 8KH n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide +CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8KK ~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid +COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7 8KL 9-o-3'-quinolinium propylberberine +Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N 8KM n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8KN (2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O 8KO (2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide +CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C 8KP n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide +Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO 8KR (2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide +c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O 8KS (1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid +c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O 8KU 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 8KV n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea +COc1cc(cc(c1)O)CCc2ccccc2O 8KW 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F 8KX 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl 8KY {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl 8L0 (2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl 8L1 n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8L2 (2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid +c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl 8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine +[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO 8L4 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide +[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O 8L5 ~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8L7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine +c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 8L8 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol +Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F 8L9 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl 8LA n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea +CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O 8LB (2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid +c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O 8LC n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide) +C(#COC#CO)O 8LD 2,2'-oxydi(ethyn-1-ol) +CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LE [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate +Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 8LF ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide +c1cc(c(nc1)O)O 8LG pyridine-2,3-diol +C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8LH [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate +CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1 8LI (4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one +C1C=CN[C@@H]1C(=O)O 8LJ (2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O 8LK pyrrolo-dc +CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C 8LL 5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide +CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O 8LM 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni c acid +Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl 8LN 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC 8LO (2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5 8LP 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione +C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O 8LQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate +C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O 8LR 2-hydroxyethyl alpha-d-mannopyranoside +Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F 8LS 6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione +c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F 8LU (2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide +c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N 8LV 3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid +Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C 8LW 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC 8LX (5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F 8LY n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine +c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2 8LZ (2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium +[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-] 8M0 bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi) +CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4 8M1 n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide +c1cscc1C(=[NH2+])N 8M2 [azanyl(thiophen-3-yl)methylidene]azanium +COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8M4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid +Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3 8M5 1-methyl-n-phenyl-indole-3-carboxamide +Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5 8M6 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide +CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O 8M7 n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide +Cc1c(c(sc1C#N)c2nc[nH]n2)C 8M8 3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile +Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl 8M9 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4 8MA 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid +Cc1ccc(cc1)/C=C/C(=O)O 8MB (~{e})-3-(4-methylphenyl)prop-2-enoic acid +COc1ccc2c(c1)OC(=O)C=C2CC(=O)O 8MC (7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid +C=C[C@H]1CCC([C@H](C1)O)O 8MD (1s,2s,4s)-4-ethenylcyclohexane-1,2-diol +C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 8ME 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide +c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl 8MF 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N 8MG 8-methyl-2'-deoxyguanosine-5'-monophosphate +CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O 8MH 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 8MI n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +c1cc2ccc(nc2c(c1)O)C=O 8MJ 8-oxidanylquinoline-2-carbaldehyde +CC(=O)/C=C/c1ccc(cc1)O 8MK (~{e})-4-(4-hydroxyphenyl)but-3-en-2-one +Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O 8ML 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate +CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN 8MM (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside +c1cc(ccc1SCC(=O)NN)Cl 8MN 2-(4-chlorophenyl)sulfanylethanehydrazide +COc1c2c(cco2)cc3c1OC(=O)C=C3 8MO methoxsalen +CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O 8MP n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide +CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 8MQ 2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one +COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F 8MR (3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid +CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O 8MS (r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol +c1c(c(sc1C(=O)NN)Br)Br 8MT 4,5-bis(bromanyl)thiophene-2-carbohydrazide +CC(=O)OCc1ccc(o1)C=O 8MV (5-formylfuran-2-yl)methyl acetate +Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C 8MW 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid +Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O 8MX 1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N 8MY 4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1cc2c(cc1c3csc(n3)N)NC(=O)N2 8MZ 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one +c1cc(c(nc1)Br)O 8N0 2-bromanylpyridin-3-ol +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl 8N1 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine +COc1cccc(c1OC)/C=C/C(=O)O 8N2 (~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid +Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO 8N3 (2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide +c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8N4 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid +c1ccc2c(c1)CSC3=C2NNC3=O 8N5 2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 8N6 (5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5 8N7 6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide +c1c(c(c(s1)C(=O)O)Br)Br 8N8 3,4-bis(bromanyl)thiophene-2-carboxylic acid +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C 8N9 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 8NA alpha-diphosphopyridine nucleotide +CC(=O)Nc1ccc(c(c1)Cl)OC 8NB ~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide +COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C 8NC (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC 8ND (2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate +c1cc(ccc1C(=[NH2+])N)C(F)(F)F 8NE [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium +Cc1cc(ncc1N)C 8NF 5-amino-2,4-dimethylpyridine +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F 8NG n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide +Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O 8NH 2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile +CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4 8NJ 6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O 8NK 7-methylguanosine 5'-diphosphate +Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl 8NL (2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate +CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C 8NM n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 8NN (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan +c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N 8NO 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide +CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3 8NP 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one +c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N 8NQ 1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4 8NR ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate +CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NS 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O 8NT 3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid +CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one +CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C 8NV 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +C1CSS[C@H]1CCCCC(=O)NCCCO 8NW 5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide +c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O 8NX 8-nitro-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1I)cn[nH]2 8NY 5-iodanyl-1h-indazole +c1cc2c(cc1Br)c(c[nH]2)C(=O)O 8NZ 5-bromanyl-1~{h}-indole-3-carboxylic acid +C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C 8O0 hapalindole a +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4 8O1 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N 8O3 (r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one +CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C 8O4 7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one +c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O 8O5 (2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide +c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN 8O7 n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de +CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4 8O8 ~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide +CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OA (r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl 8OB 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 8OD [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl 8OE 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline +COc1ccc(cc1)Nc2ccnc3c2cccc3 8OF n-(4-methoxyphenyl)quinolin-4-amine +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O 8OG 8-oxo-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N 8OH 2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine +CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OJ (s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide +c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N 8OK 2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine +CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8OL (s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3 8OM (s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N 8ON 1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 8OP [(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O 8OQ alpha-d-aceric acid +CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O 8OR 2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one +Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O 8OS 5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N 8OT 2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine +Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O 8OU 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one +CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F 8OV n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N 8OW ~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 8OX 6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one +c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O 8OY 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid +C=C(c1ccccc1)C(=O)O 8OZ 2-phenylacrylic acid +c1cc2ccc3cccc4c3c2c(c1)cc4 8P0 pyrene +c1cc2c(cc1N)CCCC2=O 8P1 6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N 8P2 [(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium +c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O 8P3 2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid +c1cc(ccc1NC(=S)N)F 8P4 1-(4-fluorophenyl)thiourea +C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O 8P5 azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium +C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C 8P6 hapalindole u +Cc1[nH]c2ccccc2n1 8P7 2-methyl-1~{h}-benzimidazole +[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81 8P8 c fe7 s8 v +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl 8P9 5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O 8PA 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium +c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl 8PC 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 8PE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate +C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 8PF pentadecafluorooctanoic acid +CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O 8PG (8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid +CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-] 8PH hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate +c1cc(c(nc1)O)[N+](=O)[O-] 8PJ 3-nitropyridin-2-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O 8PK 4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O 8PL (2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C 8PM n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide +C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O 8PO (2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid +CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C 8PP 2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol +Cc1c(c(n[nH]1)C)Br 8PQ 4-bromanyl-3,5-dimethyl-1~{h}-pyrazole +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F 8PR paroxetine +CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2 8PS 5-octyl-2-phenoxyphenol +Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5 8PT ~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine +Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br 8PU 5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide +c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4 8PV n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F 8PW (2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide +Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br 8PX 5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide +CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N 8PY [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8PZ [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 8Q1 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate +C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 8Q2 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate +Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C 8Q3 5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl 8Q4 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate +CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4 8Q5 ~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide +CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C 8Q6 dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate +COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O 8Q7 9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one +CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N 8Q8 (2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide +Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br 8Q9 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide +c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4 8QB 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one +Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br 8QC 5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O 8QD (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol +CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N 8QE 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide +C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C 8QF [(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate +c1cc(sc1c2c[nH]nc2)Cl 8QG 4-(5-chlorothiophen-2-yl)-1h-pyrazole +Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O 8QH (4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N 8QI ({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O 8QJ (2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid +COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O 8QK 1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol +C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O 8QL (3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol +c1cc(ccc1C2CC2)C(=O)O 8QM 4-cyclopropylbenzoic acid +C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O 8QN [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +C[C@@H]1CN=C(N1)c2ccc(cc2O)OC 8QO 5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol +CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O 8QP [(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN 8QQ 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one +CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O 8QS [(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid +CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3 8QT (2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol +CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6 8QV (5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine +C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C 8QW (2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide +CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br 8QX 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one +C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C 8QY n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea +CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC 8QZ ~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3 8R0 (3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione +c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N 8R2 (2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O 8R3 3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid +c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O 8R4 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8R5 3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O 8R6 (2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid +COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O 8R7 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid +C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O 8R8 3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid +CC(=O)N1CCN(CC1)c2ccccn2 8RA 1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one +Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O 8RB 3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide +Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F 8RD {4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone +C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O 8RE 3,4-dihydroxylysine +Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC 8RH bay 1217389 +CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3 8RI (2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide +CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O 8RJ (r)-1'-(2',3'-dihydroxypropyl)-thymine +Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O 8RK 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid +CNC(=O)c1cc2ccccc2nc1 8RM n-methylquinoline-3-carboxamide +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4 8RN 7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one +CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O 8RO [(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite +CC(=O)N1CCc2cc(c(cc2C1)OC)OC 8RP 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one +C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O 8RQ ~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C 8RR 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid +CC(=O)N1CCN(CC1)c2ccccc2 8RS 1-(4-phenylpiperazin-1-yl)ethan-1-one +Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RT (2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CCc1ccc(c(c1)O)O 8RU 4-ethylbenzene-1,2-diol +CC(=O)NC1CCN(CC1)Cc2ccccc2 8RV n-(1-benzylpiperidin-4-yl)acetamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F 8RW (2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +CNC(=O)c1ncccn1 8RY n-methylpyrimidine-2-carboxamide +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F 8RZ (1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide +C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O 8S0 l-glucono-1,5-lactone +c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl 8S1 5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N 8S2 (2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl 8S3 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid +COc1ccc(cc1)Cn2cnnn2 8S4 1-[(4-methoxyphenyl)methyl]-1h-tetrazole +c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F 8S5 (2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide +C[C@H](CC(=O)O)NC(=O)C(=O)O 8S6 (3r)-3-(oxaloamino)butanoic acid +Cc1cc(on1)NC(=O)C2CC2 8S7 n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide +C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O 8S8 (3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid +c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl 8S9 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid +Cc1cc(no1)NCc2cccs2 8SA 5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SB (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +c1cc2c(cc1O)CC(=O)N2 8SD 5-hydroxy-1,3-dihydro-2h-indol-2-one +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3 8SE (3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +CC(C)Sc1nnnn1c2ccccc2 8SF 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole +Cc1cc(on1)NC(=O)c2ccco2 8SG n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide +CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC 8SH (2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol +[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-] 8SJ (4-nitrophenyl)methyl carbamimidothioate +c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O 8SK benzo[a]pyren-3-ol +CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC 8SL 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole +Cn1cc(c(n1)n2cccc2)c3ccccn3 8SM 2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 8SN (3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C 8SO n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC 8SP o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CCC(=O)NO 8SQ 3-naphthalen-1-yl-~{n}-oxidanyl-propanamide +Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F 8SR 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1cc(ccc1c2c[nH]nc2N)Br 8SS 4-(4-bromophenyl)-1h-pyrazol-3-amine +c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 8ST n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O 8SU (~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid +CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C 8SV 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one +C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8SW ~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C 8SX preaustinoid a1 +CN1c2ccc(cc2CCC1=O)N 8SY 6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one +C(CCN)C[C@@H](C(=O)NO)N 8SZ (2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide +C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C 8T0 preaustinoid a2 +CN1c2ccc(cc2C=CC1=O)N 8T1 6-amino-1-methylquinolin-2(1h)-one +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O 8T2 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl 8T3 n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide +Cn1c(c(cn1)c2ccccc2)n3cccc3 8T4 1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 8T5 (1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid +Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N 8T7 1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine +c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br 8T8 (1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine +CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C 8T9 preaustinoid a3 +c1ccnc(c1)c2cn[nH]c2n3cccc3 8TA 2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine +C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O 8TB (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O 8TC berkeleyone a +CN1c2ccc(cc2N(C1=O)C)N 8TD 5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O 8TE p-methylphosphonatocalix[4]arene +CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br 8TG 7-bromo-1-methyl-6-nitroquinolin-2(1h)-one +CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C 8TH chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium +CNC(=O)c1cc2cccnc2s1 8TJ n-methylthieno[2,3-b]pyridine-2-carboxamide +CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N 8TK 4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile +CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C 8TL propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate +c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F 8TM n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine +CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N 8TN 4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC 8TO (4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CC(=O)NCCNc1ccccc1 8TP n-[2-(phenylamino)ethyl]acetamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O 8TQ (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde +OCl 8TR hypochlorous acid +CC(=O)N1CCN(CC1)c2ccc(cn2)C#N 8TS 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile +CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO 8TU (6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid +CC(=O)N1CCN(CC1)c2ccncc2 8TV 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one +C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O 8TW (1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid +C12=C(NC(=O)NC1=O)NC(=S)N2 8TX 8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione +CC(=O)N1CCN(CC1)S(=O)(=O)C 8TY 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one +CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F 8TZ (~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3 8U0 n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide +CC(=O)NCc1ccc(cc1)OC 8U1 n-[(4-methoxyphenyl)methyl]acetamide +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3 8U2 2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide +CS(=O)(=O)Nc1ccc(c(c1)F)F 8U3 n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide +CC(=O)NCc1cccc(c1)Cl 8U4 n-[(3-chlorophenyl)methyl]acetamide +CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O 8U5 e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3 8U6 n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide +CNC(=O)NC1CCN(CC1)Cc2ccccc2 8U7 n-(1-benzylpiperidin-4-yl)-n'-methylurea +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O 8U8 (2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl 8U9 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid +CC(=O)NCc1ccccn1 8UA n-[(pyridin-2-yl)methyl]acetamide +c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3 8UB 3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N 8UC (3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile +CNC(=O)c1cccnc1N 8UD 2-amino-n-methylpyridine-3-carboxamide +CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O 8UE 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide +Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N 8UF 2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid +CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1 8UG ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UH 6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide +CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2 8UJ n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide +CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UK 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N 8UL 1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid +CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C 8UM 5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide +C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N 8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N 8UO 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid +[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N 8UP 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide +CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 8UQ 8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UR 2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid +c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O 8US n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N 8UU 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid +COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N 8UV n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide +C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O 8UX (2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N 8UY 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N 8UZ tc007 +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN 8V0 (2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid +Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C 8V1 (2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6 8V2 methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate +Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN 8V3 (2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid +CCn1cc(cn1)NC(=O)c2ccoc2 8V4 n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide +c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N 8V5 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide +Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C 8V6 (2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3 8V7 2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide +Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N 8V8 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8V9 (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O 8VB 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C 8VC (4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1c(ncnc1NC2CCNCC2)C(F)(F)F 8VD n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine +CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O 8VE (3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid +CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C 8VF (4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +Cc1cccc(c1)C 8VH 1,3-dimethylbenzene +CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC 8VI n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide +CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N 8VJ 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine +CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC 8VK ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate +C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N 8VL 4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C 8VM 5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O 8VN (3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C 8VO (4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O 8VR (2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid +CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4 8VS 4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC 8VT ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 8VU (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one +C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O 8VV (2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC 8VW ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide +CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C 8VX (r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide +c1cc(cc(c1)CBr)CBr 8VY 1,3-bis(bromomethyl)benzene +CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN 8W0 propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate +CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F 8W1 (5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one +c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl 8W2 2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one +CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl 8W3 2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid +CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O 8W4 n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide +CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C 8W5 (1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one +CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl 8W6 4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid +c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O 8W7 (3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione +C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F 8W8 2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide +CN1c2ccc(cc2N(C1=O)C)CN 8W9 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one +CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl 8WA n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine +COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC 8WB 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one +Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N 8WC 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile +c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5 8WD n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O 8WE (2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide +CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O 8WF 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol +c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl 8WG n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide +c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5 8WH 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid +c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 8WJ (2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide +c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F 8WK 5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one +c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5 8WM (2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide +CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O 8WN ~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide +CN1CC(=CC=C1OC)C(=O)N 8WO 6-methoxy-1-methyl-2h-pyridine-3-carboxamide +c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N 8WP 2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide +C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O 8WQ (2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2 8WR (3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione +CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C 8WS (2s)-2,6-diacetamido-n-methyl-hexanamide +CSc1[nH]c2c(ncnc2n1)N 8WT 8-methylsulfanyl-7~{h}-purin-6-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C 8WU (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one +CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl 8WV dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium +c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N 8WW 6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine +Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N 8WX 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile +CC(CC[C@@H](C(=O)O)N)(O)O 8WY 5,5-dihydroxy-l-norleucine +Cc1cc(c2c(c1)nc(o2)N)c3ccco3 8WZ 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C 8X0 (e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N 8X1 5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O 8X2 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one +C(CS(=O)(=O)O)O 8X3 2-hydroxyethylsulfonic acid +c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O 8X5 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N 8X6 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O 8X8 ~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N 8XA 9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine +Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XB (6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XC 4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one +Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC 8XE 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +c1c(ncnc1N)C(F)(F)F 8XF 6-(trifluoromethyl)pyrimidin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N 8XG 2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one +COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O 8XH 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6 8XJ 4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC 8XK 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one +[C-]#[N+]/C=C\c1c[nH]c2c1cccc2 8XL 3-[(z)-2-isocyanoethenyl]-1h-indole +CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC 8XM 2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide +Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C 8XN (6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one +C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O 8XO 2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid +CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC 8XP 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +c1cc2c(ccc(c2nc1)O)C(=O)O 8XQ 8-hydroxyquinoline-5-carboxylic acid +Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4 8XR (3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O 8XS 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C 8XT ~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O 8XU 1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O 8XV 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide +CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O 8XW [(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid +Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 8XX (3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide +c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br 8XY 6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide +CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O 8XZ [(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid +c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F 8Y0 (e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine +c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4 8Y1 6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4 8Y2 2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide +Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N 8Y4 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N 8Y5 ~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F 8Y6 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid +Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N 8Y7 [(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N 8Y8 ~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 8Y9 [(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate +Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2 8YA 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl 8YB ~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N 8YC (2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl 8YD 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO 8YE [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O 8YF (2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid +CCCCNC(=O)N1CCC(CC1)C 8YH ~{n}-butyl-4-methyl-piperidine-1-carboxamide +c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O 8YI (2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid +c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl 8YJ 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O 8YL (2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid +CC(=O)c1ccccc1Sc2ccccc2C(=O)O 8YM 2-[(2-acetylphenyl)sulfanyl]benzoic acid +C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O 8YN pseudoisocytidine +COc1cccc2c1oc(c2)C(=O)O 8YO 7-methoxy-1-benzofuran-2-carboxylic acid +CCCCCCCCCC=O 8YP decanal +Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN 8YQ (2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C1COC[C@H]1[C@@H](C(=O)O)N 8YR (2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid +C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N 8YT 1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide +Cc1cccc(c1CN)C 8YU (2,6-dimethylphenyl)methanamine +C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O 8YV 2-keto-d-gluconic acid +c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] 8YW ~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide +Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O 8YZ (2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid +Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C 8Z0 (4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N 8Z1 (4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 8Z2 ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC 8Z4 (4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1- +c1cc(cc(c1)I)CBr 8Z5 alpha-bromo-3-iodotoluene +C=C1C(=O)CC(CC1=O)c2cccs2 8Z6 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione +c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F 8Z7 n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F 8Z8 5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine +CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl 8ZA n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea +CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 8ZB (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol +CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F 8ZD n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide +c1cc2c(cc1CO)OCCO2 8ZE 2,3-dihydro-1,4-benzodioxin-6-ylmethanol +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl 8ZG 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl 8ZH ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZJ 4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 8ZK ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide +CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C 8ZL (5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide +c1ccc(cc1)c2cc(n3c(n2)nnn3)O 8ZM 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl 8ZN ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide +C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2 8ZO prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate +c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O 8ZP (1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl 8ZQ 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C 8ZR ~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine +C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3 8ZS 4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl 8ZT ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide +CCCc1ccc(cc1)C(=O)O 8ZU 4-propylbenzoic acid +COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 8ZV 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl 8ZW ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc(cc1)C(=O)N 8ZX 4-methoxybenzamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl 8ZZ ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl 900 n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide +CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C 901 2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid +c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br 902 {[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4 903 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid +CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F 904 n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide +[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N 905 (r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N 906 1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one +Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N 907 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC 908 4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C 909 n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide +CC(=O)NCCOCCOCCOCCOCCC(=O)O 90A 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl 90B 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O 90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O 90D methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl 90E 2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6 90F ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide +c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl 90G n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide +c1cc(ccc1c2c[nH]nc2NC(=O)CS)F 90J n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl 90K 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C 90L (1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F 90M n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl 90N 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C 90O (1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol +CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC 90P n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine +CC1=CC(=O)c2c(cccc2O)C1=O 90R 5-hydroxy-2-methylnaphthalene-1,4-dione +CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br 90S [(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl 90T (3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid +CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3 90V n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl 90W ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl 90Z ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br 910 5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid +CC(O)(P(=O)(O)O)P(=O)(O)O 911 (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) +Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl 912 (2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide +c1cc(cc(c1)n2cccn2)CN 913 (3-pyrazol-1-ylphenyl)methanamine +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N 914 [(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid +Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO 915 (2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O 916 n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3 917 n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F 918 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC 919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide +CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3 91A 6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one +CN1CCN(CC1)c2cccc(c2)CN 91B 1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl 91D n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl 91E 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide +CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 91F 2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl 91G n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl 91H 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid +CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2 91J 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl 91K 2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O 91L 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5 91M (5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O 91N [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC 91O 5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O 91P [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CN(C)CCc1c[nH]c2c1c(ccc2)O 91Q 3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O 91R [[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl 91S (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one +c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O 91T [[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl 91U n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4 91V n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O 91W (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4 91X 3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4 91Y 3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N 920 4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 921 n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea +[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O 922 (5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide +CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O 923 (5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one +c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N 924 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone +CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C 925 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide +Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 926 6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one +CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C 927 n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide +c1cc(ccc1n2c(c(cn2)C#N)N)Cl 928 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile +CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O 929 n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C 92A n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide +C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O 92B (3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl 92C (3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C 92D n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C 92E ~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O 92F 7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile +c1cc(ccc1c2csc(n2)N)O 92G 4-(2-amino-1,3-thiazol-4-yl)phenol +CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 92H ~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C 92I (3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5 92J n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)C(=O)O)N 92K isatinic acid +CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O 92L 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione +CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O 92M 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one +B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O 92N 4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde +CCc1cccc2c1[nH]cc2C3CCNCC3 92O 7-ethyl-3-(piperidin-4-yl)-1h-indole +COC(=O)c1c[nH]c2c1cccn2 92P 1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid +Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl 92Q ~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide +CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2 92R 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F 92S 1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one +c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl 92T 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C 92U [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone +COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F 92V 1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide +Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN 92W 2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one +Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 92X 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3 92Y (1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol +C1C=C(C(=O)N=C1)N 92Z 5-azanyl-3~{h}-pyridin-6-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5 930 6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5 931 6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide +Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O 932 n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide +C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3 933 2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C 934 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone +[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C 935 (e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-] 936 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione +CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F 937 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide +c1c(c(ncn1)Cl)N 938 4-chloranylpyrimidin-5-amine +Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N 939 1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O 93A [3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1CNC(=S)NC1 93B 1,3-diazinane-2-thione +c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O 93C n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide +c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 93D (1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(c(nc1)N)Cl 93E 3-chloranylpyridin-2-amine +CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC 93F (10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene +Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O 93G 9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine +COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O 93H 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4 93I 7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F 93J (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide +c1cc(c(cc1C(=O)N)N)N 93K 3,4-bis(azanyl)benzamide +Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O 93L (1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93M (3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) +CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N 93N 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile +Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC 93O 2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O 93P (3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name) +Cc1cccnc1N 93Q 3-methylpyridin-2-amine +CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C 93R ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93S n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide) +Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O 93T 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid +Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC 93U 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O 93V 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid +c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O 93W (2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid +COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO 93X (3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 93Y n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O 93Z [(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C 940 (2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O 941 2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid +CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N 942 n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O 945 [(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O 946 4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol +CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 947 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide +C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 948 (1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C 949 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide +CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O 94A (4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O 94B (1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl 94C 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O 94D {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O 94E (3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl 94F 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl 94G n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide +c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 94H ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N 94I 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl 94J n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) +Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3 94K ~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide +Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C 94L 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione +Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N 94M 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine +c1cc(c(c(c1)Br)O)Br 94N 2,6-bis(bromanyl)phenol +c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O 94O 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O 94Q ~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate +C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 94R (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol +CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 94S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide +CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O 94T [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate +CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3 94U n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide +c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl 94V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide +COc1ccc2c(c1)sc(n2)N 94W 6-methoxy-1,3-benzothiazol-2-amine +C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O 94X (2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid +c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl 94Y n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide +c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N 94Z 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F 950 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl 951 2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4 952 5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione +c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl 953 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide +[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N 954 5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile +CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4 956 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O 957 n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide +Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C 958 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione +CC(=O)CNC(=O)OCc1ccccc1 959 benzyl (2-oxopropyl)carbamate +c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O 95B azotochelin +c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-] 95C 4-nitro-2-[(phenylacetyl)amino]benzamide +Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95D 2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide +CC[C@@H](CO)NCCN[C@@H](CC)CO 95E ethambutol +CCc1c(nc(nc1N2CCOCC2)N)C 95F 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine +Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide +C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O 95H ~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide +c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O 95I n-(benzylcarbamothioyl)-l-histidine +c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95J n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide +CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N 95K 1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine +c1cc2c(cc1F)c(c(cn2)C(=O)NN)N 95L 4-amino-6-fluoroquinoline-3-carbohydrazide +CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95M n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide +CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N 95N 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine +Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O 95O (1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br 95P 4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide +c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N 95Q 1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine +COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3 95R (4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br 95S n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C 95U n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide +Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 95V n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4 95W 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione +Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O 95X (2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br 95Y n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O 95Z 2-amino-2-deoxy-alpha-d-mannopyranose +Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2 960 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine +CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C 961 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid +C[C@@H](CN(CCO)C[C@H](C)O)O 962 (2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol +COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O 963 (1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O 964 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid +c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid +CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC 966 [(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate +c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 967 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide +c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O 968 2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid +CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O 969 11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br 96A n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide +c1ccc(cc1)[C@H]2CCCN2 96B (2r)-2-phenylpyrrolidine +CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C 96C 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole +c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F 96D n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide +CCCN(CCCCCO)CCO 96E 5-[2-hydroxyethyl(propyl)amino]pentan-1-ol +CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O 96F 1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione +COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br 96G n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide +C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O 96H triisopropanolamine +CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N 96I (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide +Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br 96J n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide +CCCN(CCC)CCCCCCO 96K 6-dipropylamino-1-hexanol +Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C 96L (1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C 96M 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C 96N 4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide +Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 96O (1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside +c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F 96P (2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) +c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F 96Q (~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide +c1cc2c(cc(nc2c(c1)O)N)n3ccnc3 96R 2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol +CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC 96S 1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one +CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C 96T 3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol +c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N 96U 2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol +Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C 96V n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 96X n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide +Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F 96Y 1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine +C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N 96Z (2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid +CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1 970 (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one +CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5 971 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one +CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl 972 2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate +c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O 973 (5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one +Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F 974 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid +c1cc(c(cc1CCO)O)O 975 4-(2-hydroxyethyl)benzene-1,2-diol +CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O 976 (2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid +c1ccc(cc1)c2c(c(nc(n2)N)O)Br 977 2-amino-5-bromo-6-phenylpyrimidin-4-ol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 979 5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine +CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O 97A 4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile +CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl 97B 9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine +CCCCC(=O)OCCOCCC[C@@H](CC)O 97C 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate +c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl 97E 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N 97H 2-(3-aminophenyl)-3~{h}-quinazolin-4-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4 97K 2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N 97L (2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O 97M (2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O 97N (2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate +COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC 97O 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O 97Q 2,8-bis(trifluoromethyl)quinolin-4-ol +c1ccc(c(c1)c2ccno2)O 97T 2-(1,2-oxazol-5-yl)phenol +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl 97U (2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid +CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide +c1cc2c(ccnc2cc1C(F)(F)F)O 97W 7-(trifluoromethyl)quinolin-4-ol +Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N 97X (2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile +CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C 97Y n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4 97Z 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one +C[C@@H]1CC(=O)Nc2ccccc2N1 98 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O 980 (2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one +CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl 981 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O 982 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid +CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O 983 (5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide +CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5 984 cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine +C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O 985 (2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid +C[C@@H]1CC(=O)Nc2ccccc2N1 986 (4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one +C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl 987 n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4 988 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline +CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C 989 2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid +C[C@@H](c1ccccc1)N 98B (1s)-1-phenylethanamine +COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC 98C n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide +C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98D 1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 98E (s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide +C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O 98G 1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C 98H (5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione +C(CO)C(=O)CC(=O)O 98J 5-hydroxy-3-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)Cl 98K 2-chloranyl-1~{h}-benzimidazole +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O 98M 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C 98N (s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide +C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl 98P d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide +COc1cc2cc[nH]c2cc1C(F)(F)F 98Q 5-methoxy-6-(trifluoromethyl)-1~{h}-indole +CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC 98R [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate +COC(=O)c1ccc(c(c1)I)O 98T methyl 3-iodanyl-4-oxidanyl-benzoate +COC(=O)c1cc(cc(c1)O)C(=O)OC 98W dimethyl 5-oxidanylbenzene-1,3-dicarboxylate +c1ccc2c(c1)c(c[nH]2)C#N 98Z 1~{h}-indole-3-carbonitrile +Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F 990 (7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N 991 2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl 992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid +CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl 993 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4 994 4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine +CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1 995 4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide +CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O 996 n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide +C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC 997 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide +C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC 998 n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide +[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N 999 (3s)-3-hydroxy-d-aspartic acid +Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N 99A n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide +CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5 99B 5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide +Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO 99C (2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate +CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C 99E ~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O 99J 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] 99K 3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O 99L 1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O 99M 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one +C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C 99N [(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O 99O 1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N 99P d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N 99R 6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N 99S methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate +C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N 99T l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 99U 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one +CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O 99V 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO 99X 1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one +c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O 99Y 4-carboxy-d-phenylalanine +Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N 99Z 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3 9A0 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O 9A3 (2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one +C/C=C\CO 9A4 (2z)-but-2-en-1-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N 9A5 (2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C 9A6 7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine +C/C=C/CO 9A7 (2e)-but-2-en-1-ol +CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9A8 2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one +COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O 9AA (5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br 9AB 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid +c1ccc2c(c1)c(c3ccccc3n2)C=O 9AC 9-acridinecarbonyl +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N 9AD 9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +C[C@@H](CCCC(C)C)NC(C)C 9AE (2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine +CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC 9AF dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate +CNCc1ccc(cc1)Oc2ccccc2 9AG n-methyl-1-(4-phenoxyphenyl)methanamine +CCCN(CCC)CCCC#N 9AH 4-(dipropylamino)butanenitrile +C=CCNC=S 9AI n-prop-2-en-1-ylthioformamide +C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8 9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one +CC(C)(CNCCO)N 9AK n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine +CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O 9AL (2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O 9AM 9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O 9AN 2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one +CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3 9AO n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide +c1ccc2c(c1)cc(c3c2cccc3)N 9AP 9-aminophenanthrene +CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9AQ 2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one +COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O 9AR 9-hydroxy aristolochic acid +C[C@H]([C@@H](C(=O)N)N)O 9AT (2s,3r)-2-amino-3-hydroxy-butanamide +CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C 9AU 4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4 9AW 2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one +C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C 9AX (2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +Cc1ccc(c(c1)N)N 9AY 4-methylbenzene-1,2-diamine +CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O 9AZ (2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O 9B0 [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate +CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C 9B1 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4 9B2 2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one +c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O 9B3 (2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid +C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O 9B4 (2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O 9B5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC 9B6 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O 9B7 3',3'-cdimp +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O 9B8 (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC 9BA n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide +C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N 9BB trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid +COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4 9BD 2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine +c1ccc(cc1)CNC=S 9BE n-benzylthioformamide +CC(=O)CCc1c[nH]c2c1cccc2 9BF 4-(1~{h}-indol-3-yl)butan-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N 9BG 2',5'-gpap +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O 9BH (2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O 9BJ 3',3'-cdump +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O 9BK (2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O 9BL methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate +Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC 9BM 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O 9BN (2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O 9BO (2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate +CC(C)C(=O)N[C@](C)(CCN)C(=O)O 9BP 4-amino-n-(2-methylpropanoyl)-d-isovaline +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O 9BR 3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde +c1ccnc(c1)c2ncccn2 9BS 2-(pyridin-2-yl)pyrimidine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O 9BT (2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O 9BU (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate +c1ccc2c(c1)c(n3c(n2)nnn3)O 9BV tetrazolo[5,1-b]quinazolin-9-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O 9BW (2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O 9BX 3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde +c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3 9BY [2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid +CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C 9BZ (3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C0 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide +C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl 9C1 2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O 9C2 [(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate +CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 9C3 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O 9C4 (2s)-2-hydroxy-3-epiquinic acid +CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4 9C6 9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione +CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 9C8 2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one +Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl 9C9 2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide +c1ccc2c(c1)c3ccccc3[nH]2 9CA 9h-carbazole +CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl 9CB 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CC (3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O 9CD 2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose +c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N 9CE 2-(2-aminophenyl)-3~{h}-quinazolin-4-one +C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CF (3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1cc2cccc3c2c(c1)COC3=O 9CG 1h,3h-naphtho[1,8-cd]pyran-1-one +CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C 9CH 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione +COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O 9CJ 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid +c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br 9CK 1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea +c1ccc(cc1)CCl 9CL (chloromethyl)benzene +CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N 9CM (2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2 9CO [cobr(appy)-biot]br +CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N 9CP (2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N 9CQ 2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C 9CR (9cis)-retinoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N 9CS (1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC 9CT ~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide +C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CU (3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F 9CV 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O 9CW (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O 9CX (3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one +c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3 9CY n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O 9CZ (1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D0 n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5 9D1 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol +CCC(CO)(CO)CO 9D2 2-ethyl-2-(hydroxymethyl)propane-1,3-diol +CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 9D3 n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4 9D4 n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine +CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2 9D5 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one +CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4 9D6 n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide +c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5 9D7 [4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc +CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl 9D8 4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide +c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O 9D9 [5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid +c1c[nH]c2c1ncnc2N 9DA 9-deazaadenine +Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3 9DB (2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide +C([C@@H](CS)S)O 9DC (2s)-2,3-disulfanylpropan-1-ol +c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N 9DE 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide +c1c[nH]c2c1N=C(NC2=O)N 9DG 9-deazaguanine +CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2 9DH 2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O 9DI 9-deazainosine +CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O 9DJ 3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid +CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O 9DK 3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O 9DN dansyl-l-asparagine +CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl 9DP (3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C(c1[nH]nnn1)[C@@H](C(=O)O)N 9DQ (2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3 9DR 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O 9DS dansyl-l-sarcosine +C[C@](Cc1ccccc1F)(C(=O)O)N 9DT (2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid +C[C@@H](CS)C(=O)NCc1ccccc1 9DU (2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide +CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC 9DW (2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid +C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O 9DX (2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +c1cnccc1c2csnn2 9DY 4-(1,2,3-thiadiazol-4-yl)pyridine +Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C 9DZ (2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide +C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O 9E0 (5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N 9E1 2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide +Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl 9E2 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F 9E3 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC 9E4 4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide +Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C 9E5 3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide +c1c(csc1Cl)C(=O)O 9E6 5-chloro thiophene-3-carboxylic acid +C(CCNCS)C[C@@H](C(=O)O)N 9E7 n~6~-(sulfanylmethyl)-l-lysine +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N 9E8 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +c1cc(sc1C(=O)O)Cl 9E9 5-chloro thiophene-2-carboxylic acid +Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8 9EA 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid +C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl 9EB 4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C 9EC (1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium +C(CCC(=O)N)CC(=O)N 9EE adipamide +CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O 9EF n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl 9EG n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea +c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N 9EI 5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5 9EJ n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5 9EK ~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide +COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N 9EL (2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile +CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F 9EM 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3 9EN ~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide +c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3 9EO (3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide +CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O 9EP (2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC(=O)c1c(cccc1O)O 9EQ 1-[2,6-bis(oxidanyl)phenyl]ethanone +CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C 9ER n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine +CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC 9ES n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide +Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O 9ET murrayamine-i +Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C 9EU 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O 9EV 6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine +c1ccc2c(c1)c(no2)O 9EW 1,2-benzoxazol-3-ol +C[C@@H](CO)CS 9EX (2s)-2-methyl-3-sulfanyl-propan-1-ol +COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9EY methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cn1c(cc(n1)c2ccccc2)N 9EZ 2-methyl-5-phenyl-pyrazol-3-amine +c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2 9F0 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline +Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F 9F1 methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O 9F2 ceftriaxone +C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O 9F3 (2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F 9F4 (1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O 9F5 (2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid +c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O 9F6 (2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one +CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9F7 methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate +Cc1cn(c2c1cccc2)CCC(=O)O 9F8 3-(3-methylindol-1-yl)propanoic acid +CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC 9F9 n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide +C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC 9FA methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +C1C[C@@H]([C@@H](C1)N)C(=O)O 9FB (1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid +Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N 9FC 6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide +C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl 9FD methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1C(=O)O)c(n[nH]2)Br 9FE 3-bromanyl-1~{h}-indazole-5-carboxylic acid +Cn1c(ccc1c2ccc(cc2F)O)C#N 9FG 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile +Cc1c(cnn1c2ccccc2)C(=O)O 9FH 5-methyl-1-phenyl-pyrazole-4-carboxylic acid +COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O 9FJ 3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid +c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N 9FK 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide +c1ccc-2c(c1)Cc3c2cccc3 9FL 9h-fluorene +CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC 9FM n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O 9FN 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O 9FO 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O 9FQ (3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol +CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FR (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5 9FS 5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +COc1ccc(cc1)[C@H]2CCC(=O)NC2=O 9FT (3r)-3-(4-methoxyphenyl)piperidine-2,6-dione +CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C 9FU (6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione +CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4 9FV 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine +c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3 9FX 3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide +Cc1cn(nn1)CCC[C@@H](C(=O)O)N 9FZ (2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid +c1ccc(c(c1)c2cccc(c2O)O)N 9G0 2'-amino[1,1'-biphenyl]-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N 9G1 [(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium +CCc1cn(nn1)CCC[C@@H](C(=O)O)N 9G2 (2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid +c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3 9G3 7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one +CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl 9G4 1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide +CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl 9G5 (3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one +COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5 9G6 n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O 9G7 methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate +C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4 9G9 5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole) +Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C 9GA n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +CCC/C(=C/COP(=O)(O)O)/C 9GB [(~{e})-3-methylhex-2-enyl] dihydrogen phosphate +c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl 9GD 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid +CC(C)CCCCCCCCC/C=C/C(=O)O 9GE (~{e})-13-methyltetradec-2-enoic acid +CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O 9GF 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol +CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O 9GH 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid +COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC 9GJ n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide +c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O 9GK 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid +CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl 9GL 5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N 9GM 2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one +CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GN 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O 9GP n-(hydroxyacetyl)-beta-d-glucopyranosylamine +CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GQ 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6 9GS 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide +C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GT 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid +c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3 9GU (1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone +CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC 9GV 1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide +CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O 9GW 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid +COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 9GX 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 9GY 3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F 9GZ 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid +c1ccn(c1)c2c(cc(c(c2I)O)CO)I 9H2 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol +c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 9H3 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C 9H4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I 9H5 [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone +CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4 9H6 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7 9H7 tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F 9H8 1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide +c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F 9H9 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one +COC(=O)CCC(=O)OC 9HB dimethyl fumarate +Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O 9HC [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate +C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O 9HD 1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N 9HE 1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C 9HF 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid +CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC 9HG n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4 9HH ~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N 9HI (3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid +CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC 9HJ 6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] 9HK 4-[(4-nitrophenyl)methyl]benzenesulfonamide +c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4 9HL n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC 9HN ~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O 9HO (9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid +c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4 9HP 9-(4-hydroxyphenyl)-2,7-phenanthroline +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C 9HQ (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O 9HR 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4 9HS 7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC 9HT (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide +CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O 9HU 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate +C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO 9HV {2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid +CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9HW (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide +c1c[nH]c2c1N=CNC2=O 9HX 9-deazahypoxanthine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N 9HY n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC 9HZ methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate +CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O 9I2 4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol +COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O 9I5 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F 9I7 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O 9I8 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O 9IB 3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N 9ID 6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide +C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl 9IG 3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine +c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IK ~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C 9IM 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2 9IN n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide +COc1ccc(cc1)Nc2c3cc[nH]c3ncn2 9IO ~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N 9IP n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine +COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 9IS ~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl 9IV ~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9IY [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N 9J0 3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide +CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O 9J1 n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide +Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC 9J2 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate +CCOC(=O)CCC(=O)O 9J3 4-ethoxy-4-oxobutanoic acid +C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N 9J4 4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC 9J5 methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate +CCOC(=O)CCCCC(=O)O 9J6 6-ethoxy-6-oxohexanoic acid +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C 9J7 1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C 9J8 (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide +B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O 9JA (~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine +C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O 9JB 3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol +CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O 9JD methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate +C(CCO)CCO 9JE pentane-1,5-diol +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O 9JF n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide +CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3 9JG prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate +c1ccc(cc1)Cc2ccc(cc2)C(=O)N 9JH 4-benzylbenzamide +B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JJ [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)NC(=O)c2ccccc2S 9JK ~{n}-phenyl-2-sulfanyl-benzamide +B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O 9JM [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 9JN ~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide +CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl 9JO n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N 9JP n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide +CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JQ 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol +CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N 9JR 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one +Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N 9JS 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide +c1ccc(cc1)NC(=O)c2ccccc2[SeH] 9JT ~{n}-phenyl-2-selanyl-benzamide +Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5 9JU n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide +C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O 9JW 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol +c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl 9JX (4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one +CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C 9JY (2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol +C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 9JZ (3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide +C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9K0 (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one +Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO 9K1 (2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol +Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F 9K2 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N 9K3 1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol +CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N 9K4 2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide +c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K5 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate +C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3 9K6 5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N 9K7 2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide +CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 9K8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N 9K9 2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F 9KB 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N 9KD n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide +c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl 9KE 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one +CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2 9KF ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N 9KG n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide +Cc1c(cc(nc1CC(=O)O)O)O 9KH 6-carboxy methyl-4-hydroxy-2-pyridinol +C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9KJ {[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid +CCCC[C@@H](C(=O)O)NC 9KK n-methyl norleucine +C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O 9KL (2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid +Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F 9KO n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O 9KP (e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine +c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 9KQ 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline +C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KR (e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one +CC(=O)Nc1ccccc1O 9KS n-(2-hydroxyphenyl)acetamide +CN1c2ccccc2N(C(=O)C1=O)C 9KT 1,4-dimethylquinoxaline-2,3-dione +c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O 9KU 5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9KV (2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 9KW ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9KX (2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO 9KY (2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCOC(=O)c1c(c2ccccc2nc1C)C 9KZ ethyl 2,4-dimethylquinoline-3-carboxylate +C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C 9L1 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid +c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9L2 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O 9L3 [(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl 9L4 3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C 9L5 ~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 9L7 (2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9L8 (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9L9 (2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl 9LA 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid +c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N 9LB (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol +CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5 9LD ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate +c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N 9LE (2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O 9LF (2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate +c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F 9LG n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O 9LH tunicamycin +Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN 9LI 2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine +c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9LJ (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide +Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl 9LK ~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4 9LL (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide +CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 9LM 2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4 9LN 1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide +c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N 9LO 4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl 9LP trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate +B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid +c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F 9LS (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide +CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C 9LT 1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide +Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4 9LU 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid +c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl 9LV 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3 9LW 1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one +COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O 9LX 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol +c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F 9LY (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F 9LZ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2 9M0 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F 9M1 ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F 9M2 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N 9M3 n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide +CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl 9M4 n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide +c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9M6 2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4 9M7 n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide +Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C 9M8 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN 9M9 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C 9MA 2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine +c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F 9MB 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol +c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO 9MC 2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl 9MD (2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide +c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9ME (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone +Cn1cnc2c1nc(nc2O)N 9MG 9-methylguanine +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN 9MH 2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide +c1cc(oc1)c2nc(n(n2)C(=O)N)N 9MJ 5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide +Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F 9MK (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone +CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9ML 2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl 9MM 4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr 9MN (2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F 9MP (2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 9MQ {benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO 9MR (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside +Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl 9MS (2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide +CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C 9MT 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile +[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3 9MU (r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide +c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br 9MV 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O 9MW methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3 9MX (r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid +CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9MY (2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide +c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O 9MZ 2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO 9N0 2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5 9N1 (2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide +c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N 9N2 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile +CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3 9N3 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol +Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C 9N4 (2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide +CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C 9N5 (2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6 9N7 4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid +c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F 9N8 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide +C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C 9N9 (e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one +COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F 9NA (2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide +CC(=O)c1ccc(cc1)NC(=O)CS 9NB ~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide +c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F 9ND (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 9NE dansyl-l-glutamate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O 9NF dansyl-l-phenylalanine +CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5 9NG n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide +Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F 9NH n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide +COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F 9NJ trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid +c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O 9NK (2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F 9NL (2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid +c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F 9NM (2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide +c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F 9NO 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6 9NP (2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide +CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F 9NQ leniolisib +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O 9NR dansyl-l-arginine +C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O 9NS (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2 9NT ~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide +C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C 9NU (2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide +CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C 9NV dansyl-l-norvaline +c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl 9NW 2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3 9NX 5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol +[C@@H](C(=O)O)(C(F)(F)F)O 9O0 (2r)-3,3,3-trifluoro-2-hydroxypropanoic acid +C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl 9O1 3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide +CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O2 ~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide +C(=O)(C(C(F)(F)F)(O)O)O 9O3 3,3,3-trifluoro-2,2-dihydroxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N 9O4 (3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate +CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N 9O5 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F 9O6 (2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N 9O7 [(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2 9O8 [5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9O9 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol +c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3 9OB ~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4 9OC 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(=O)CCCCC\C=C/C(=O)O 9OD (2z)-9-oxodec-2-enoic acid +COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N 9OE (5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C 9OF 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N 9OG 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile +CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O 9OH (trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid +Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C 9OJ 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O 9OK 2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside +CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C 9OL 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine +Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OM 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +C[C@@H](CCC(=O)O)C(=O)O 9ON (2~{s})-2-methylpentanedioic acid +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OQ (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O 9OR 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid +COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N 9OS 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F 9OT (2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4 9OU 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +C([C@@H](C(=O)N)N)[SeH] 9OW 3-selanyl-l-alaninamide +C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC 9OZ n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O 9P0 4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid +CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N 9P1 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine +CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7 9P2 1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine +Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C 9P3 1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F 9P4 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine +CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide +Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N 9P7 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile +c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9P8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O 9P9 1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN 9PA 5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PB (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F 9PC 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide +CCCCCCCCCCCCP(=O)(C)C 9PD dodecyldimethylphosphine oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN 9PE (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O 9PF 1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O 9PG 4-nitrophenyl alpha-d-galactopyranoside +c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PH (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O 9PI bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate +c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +CC[C@H]1[C@H](COC1=O)Cc2cncn2C 9PL (3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one +c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N 9PM 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile +c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O 9PN (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc[n+](cc1)[O-] 9PO pyridine-n-oxide +C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] 9PP 2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine +c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO 9PQ 4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide +CNC(=O)[C@@H]1CCCN1 9PR n-methyl-l-prolinamide +c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O 9PT (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O 9PW [4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9PX 1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O 9PY (2r)-2-methyl-3-dehydroquinic acid +Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O 9Q0 1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O 9Q5 5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9Q6 1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O 9Q8 tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium +C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2 9Q9 1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O 9QA 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one +C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl 9QB chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium +C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5 9QD n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9QF [(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O 9QG methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside +[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O 9QJ (1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid +c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O 9QK 2-(3-fluorophenyl)quinoline-4-carboxylic acid +c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO 9QN (1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC 9QO 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N 9QQ 6-hydroxybenzimidazolyl-norcobamide +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC 9QR 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine +c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O 9QT 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid +c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4 9QU n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O 9QV uridine 2',5'-bis(dihydrogen phosphate) +CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl 9QW (4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O 9QY methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O 9QZ [(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R0 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid +C(CC[C@@H](C(=O)O)N)CCC(=O)O 9R1 (2s)-2-aminooctanedioic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O 9R2 [(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate +c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl 9R3 2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid +CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N 9R4 d-gamma-glutamyl-2-methyl-l-alanine +c1cc2c(cc1Cl)OC[C@H](O2)CN 9R5 [(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine +C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N 9R7 l-gamma-glutamylglycine +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5 9R8 6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide +c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl 9R9 1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol +Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C 9RA 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid +Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO 9RB (2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O 9RC 5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine +C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2 9RD (cyclohex-1-ene-1,2-diamine)platinum(2+) +Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F 9RF {2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid +c1ccc(cc1)C(C(F)(F)F)(O)O 9RH 2,2,2-trifluoromethyl acetophenone hydrate +CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2 9RI (2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal +c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3 9RK ~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide +C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O 9RL (2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol +CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F 9RM 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O 9RN 3,6-anhydro-d-galactose +C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C 9RO (1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RP 1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol +C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O 9RQ [2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid +CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC 9RR 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine) +Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4 9RS n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN 9RT 4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide +Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C 9RU [1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium +CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O 9RV n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide +C[C@@H](c1ccccc1)C(=O)O 9RW (2~{s})-2-phenylpropanoic acid +c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O 9RX 2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O 9RY n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC 9RZ 3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N 9S0 (4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O 9S1 n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5 9S3 1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone +CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9S4 (2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9S5 (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone +CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O 9S6 3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O 9S7 5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2 9S8 non-cubane [4fe-4s]-cluster +C(CBr)S(=O)(=O)O 9SB 2-bromanylethanesulfonic acid +c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 9SC 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O 9SD (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O 9SE (2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O 9SF 3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F 9SG (2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SI [(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O 9SJ 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid +c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F 9SK 5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one +C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N 9SL [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O 9SM (2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N 9SN 6-fluoroanthraniloyl-amp +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O 9SP (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] 9SQ dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) +C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O 9SR (1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) +c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N 9SS (3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile +CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3 9ST 4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one +c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2 9SU 2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one +CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4 9SV 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione +CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC 9SW methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid +c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O 9SY [(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O 9SZ c42 h32 o8 p2 +c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F 9T0 5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid +C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O 9T1 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid +CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F 9T2 ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate +c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O 9T6 4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O 9T7 (2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid +C[NH+](C)CCCNC(=O)CC[NH3+] 9T8 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium +CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3 9T9 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one +c1ccc2c(c1)C(=O)c3ccccc3C2=O 9TA 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone +c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F 9TB (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4 9TC (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O 9TD 1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide +COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4 9TE 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O 9TF purpurin +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O 9TG 3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid +C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C 9TH pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride +Cc1c(n2ccccc2n1)c3ccn[nH]3 9TI 2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine +B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O 9TJ 3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid +Cn1ccnc1C(=O)O 9TK 1-methylimidazole-2-carboxylic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC 9TL 2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate +C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O 9TM (2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O 9TN debutanoyl thapsigargin +COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4 9TO n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4 9TP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside +c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O 9TQ 5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid +c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N 9TR n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine +CC/C=C/C(=O)O 9TS (2e)-pent-2-enoic acid +Cn1ccc2c1ccc(c2)N 9TT 1-methylindol-5-amine +c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N 9TU n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine +c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4 9TV 3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide +c1cc(c(cc1C(=O)N)Cl)F 9TW 3-chloranyl-4-fluoranyl-benzamide +C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N 9TX n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine +C1CC1(C(=O)O)C(=O)O 9TY cyclopropane-1,1-dicarboxylic acid +Cc1ccc(cc1C(=O)O)F 9TZ 5-fluoranyl-2-methyl-benzoic acid +C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N 9U0 n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine +CC(C)c1c(ncs1)C=O 9U2 5-propan-2-yl-1,3-thiazole-4-carbaldehyde +CN(C)CCN(C)C 9U3 n,n,n',n'-tetramethylethane-1,2-diamine +CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9U4 3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C 9U5 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid +c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N 9U6 3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1 9U7 1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4 9U8 ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate +C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1 9U9 n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine +CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UA 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C 9UB [(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-] 9UC n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine +CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1 9UD 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C 9UE jasplakinolide +c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N 9UF n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine +Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C 9UG (2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide +[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N 9UK cobaltcarborane +CN\1CCC/C1=C\2/C=Nc3c2cccc3 9UL (3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole +CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C 9UM 3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione +CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O 9UN 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide +C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl 9UO 6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine +[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N 9UP methyl (7-carbamimidoylnaphthalen-1-yl)carbamate +CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N 9UQ (3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione +C1=SC(=O)NC1=O 9UT 1,3-thiazole-2,4-dione +c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N 9UV (2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile +C1=NC(=S)NC1=O 9UW 2-sulfanylideneimidazol-4-one +O=[MoH2]1S[MoH2](=O)S1 9UX dioxo(di-mu-sulfide)dimolybdenum +Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O 9UY 3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1CC(=O)NC(=O)C1 9UZ piperidine-2,6-dione +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-] 9V0 (2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C 9V1 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid +CC[C@]1(CC(=O)NC1=O)C 9V2 (3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione +Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C 9V3 2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone +c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl 9V5 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl 9V6 (2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid +c1ccc(cc1)NC(=O)O 9V7 phenylcarbamic acid +c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2 9V8 [3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate +CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O 9V9 1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one +C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO 9VA 3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide +c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N 9VC (2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid +CC([C@@H](C=O)N)O 9VD (2s,3s)-2-amino-3-hydroxybutanal +CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F 9VE [(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate +C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N 9VF (2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid +C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O 9VG methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate +C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O 9VH [(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid +Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VK (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br 9VL (2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid +Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C 9VN (2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)CNc2ccccn2 9VO n-(phenylmethyl)pyridin-2-amine +CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9VP 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid +c1cnn(c1)Cc2ccc(cc2)CO 9VQ [4-(pyrazol-1-ylmethyl)phenyl]methanol +c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F 9VR (2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7 9VS cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol +CCNc1nnc(s1)Cn2c(cc(n2)C)C 9VT 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine +Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O 9VU (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one +c1cc(cnc1)CNC(=O)NC2CCCCC2 9VW 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea +CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F 9VY 2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide +CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1 9VZ ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate +Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC 9W1 (4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone +CC(=O)NC1CCN(CC1)c2ncccn2 9W2 ~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide +Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N 9W3 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile +c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5 9W4 4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide +Cc1cc(n(n1)Cc2ccccc2)N 9W5 5-methyl-2-(phenylmethyl)pyrazol-3-amine +CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2 9W6 ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate +CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O 9W7 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol +CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3 9W8 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one +Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O 9WA (r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol +CC1=CC(=O)C(=C(N1)C)c2ccccc2 9WB 2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one +CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O 9WD 1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one +c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3 9WE 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea +Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C 9WG 4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one +Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N 9WH 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine +Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N 9WI (4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile +C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C 9WJ 4-acetamido-4,6-dideoxy-beta-d-mannopyranose +Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N 9WK 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide +CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F 9WM (2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O 9WN (2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid +c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5 9WO n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide +Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F 9WP 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide +Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC 9WR [6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl 9WS n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide +C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O 9WT cefepime +C(CN)C(=O)N[C@@H](CN)C(=O)O 9WV beta-alanyl-3-amino-l-alanine +CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC 9WX ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O 9WY 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol +c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO 9WZ 2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside +c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3 9X0 n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide +CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl 9X1 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium} +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5 9X2 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide +CNCc1cccc(c1)CN2CCOCC2 9X3 n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine +Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N 9X4 (5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +CC1=NCc2ccccc2-c3c1cccc3 9X5 5-methyl-7~{h}-benzo[d][2]benzazepine +C(C(=O)O)SCC(=O)O 9X6 thiodiglycolic acid +CCOC(=O)C(=O)C 9X7 ethyl 2-oxopropanoate +CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O 9X8 thioacetyl-adp-ribose +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N 9X9 3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine +CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C 9XB pamamycin 607 +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N 9XC 3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide +CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F 9XE 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N 9XF 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide +Cc1cccc(c1)Nc2ccccc2 9XG 3-methyl-n-phenylaniline +c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N 9XH (2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione +c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N 9XJ 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4 9XK ~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br 9XM [(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate +NP(=S)(O)O 9XN phosphoramidothioic o,o-acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl 9XP 1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine +c1cc(cc(c1)NC(=[NH2+])N)C(=O)O 9XQ [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium +c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 9XR [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O 9XS (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2 9XT 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N 9XV 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O 9XW ~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC 9XX (2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 9XY endoxifen +Cn1nc(nn1)c2cc(cnc2N)c3ccsc3 9XZ 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 9Y0 (2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate +c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F 9Y1 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F 9Y2 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide +c1ccc(cc1)/C=C\C=O 9Y3 (2z)-3-phenylprop-2-enal +Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2 9Y5 1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +c1ccc(cc1)/C=C/C=O 9Y6 (2e)-3-phenylprop-2-enal +c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N 9Y7 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O 9Y8 3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide +C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F 9Y9 tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N 9YA 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3 9YB (3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F 9YD 2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O 9YF (2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate +CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N 9YG 1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O 9YH 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl 9YJ 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O 9YK 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid +CCOC(=O)[C@@H](C)O 9YL ethyl (2r)-2-oxidanylpropanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O 9YM [4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N 9YN (2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide +Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C 9YO 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole +c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N 9YP {[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid +CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C 9YQ 4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide +CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4 9YS 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide +CC(=O)NCC[C@@H](C(=O)O)N 9YT (2~{s})-4-acetamido-2-azanyl-butanoic acid +COCCOCCOCCOCCOCCOCCOCCO 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol +CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O 9YW (alpha-d-glucopyranosyloxy)acetic acid +c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4 9YY 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC 9YZ methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +c1c(c([nH]c1C(=O)NCCCO)Br)Br 9Z0 4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O 9Z1 (3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +CCC(=O)Nc1ccc(cc1)c2ncccn2 9Z2 ~{n}-(4-pyrimidin-2-ylphenyl)propanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O 9Z3 n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine +CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N 9Z4 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O 9Z6 (5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) +CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC 9Z7 (3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione +c1ccc(cc1)NC(=O)CCCCCNC(=O)CS 9Z8 6-(2-mercaptoacetylamino)-n-phenylhexanamide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1 9Z9 (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en +C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZA [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CCC(=O)N1CCN(c2c1cccc2)CC 9ZB 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one +CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC 9ZC n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide +C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 9ZD [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid +CC(=O)c1ccc2c(c1)OCCO2 9ZE 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone +c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F 9ZF 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea +CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 9ZG (phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate +C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl 9ZJ (2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C 9ZK (4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone +COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F 9ZM methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate +CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6 9ZP 4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide +Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2 9ZQ ru(phen)2(dppz-11,12-me2) +c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl 9ZS n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O 9ZT (1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O 9ZV 3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid +CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4 9ZW 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one +CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4 9ZX 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one +CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4 9ZY 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid +c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O 9ZZ erythrosin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A adenosine-5'-monophosphate +CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N A00 n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O A01 [(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A02 (10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A03 (10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide +c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F A04 5-[2-(trifluoromethoxy)phenyl]-2-furoic acid +c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O A05 5-(2-chloro-4-nitrophenyl)-2-furoic acid +c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl A06 (3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3 A07 n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl A08 (2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile +c1ccc(cc1)S(=O)(=O)NO A09 n-hydroxybenzenesulfonamide +C([C@@H](C(=O)O)N)C(=O)OC=O A0A (2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid +c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br A0B phloxine b +Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C A0C 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide +CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4 A0D n-adamantan-2-yl-1-ethyl-d-prolinamide +C(=C(/C(=O)O)\N)\O A0G (2z)-2-amino-3-hydroxyprop-2-enoic acid +CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl A0H n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide +C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4 A0J 3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O A0K 1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C A0L 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one +CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C A0O 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N A0P 9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine +CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4 A0Q 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide +COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O A0R 2',4'-dihydroxy-2-methoxychalcone +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F A0S (5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F A0T [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C A0U ~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate +B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O A0V 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid +C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O A0W 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid +B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O A0Y phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid +c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I A0Z 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl A11 ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N A12 phosphomethylphosphonic acid adenosyl ester +Cc1cc(nc(n1)N)C(F)(F)F A13 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine +CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C A14 (1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid +c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O A15 3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO A16 4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose +Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5 A17 n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide +c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl A18 5-(2-chlorobenzyl)-2-furoic acid +c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl A19 5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid +CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC A1A 6-amino hexanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O A1B 1-deoxy-alpha-l-xylulofuranose-1,2-borate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C A1C 1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5 A1E (5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C A1F 1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N A1G (2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid +c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4 A1H 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one +c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2 A1I n-(cyclopent-3-ene-1-carbonyl)-l-histidine +B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O A1J 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl A1K [4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone +[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC A1L [2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide +B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O A1M phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C A1N (2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C A1O quinabactin +c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O A1P 9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O A1Q methyl l-glycero-alpha-d-manno-heptopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N A1R 5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O A1S isopentyl-coenzyme a +CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 A1T 5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide +Cc1cnc(c(n1)C)O A1U 3,5-dimethylpyrazin-2-ol +c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O A1V 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid) +CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O A1X ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate +Cc1cc(nc(c1C#N)N2CCOCC2)C A1Y 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile +c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O A1Z vadadustat +C(CN)CS(=O)(=O)O A20 3-aminopropane-1-sulfonic acid +C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F A21 (5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N A22 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N A23 adenosine-5'-phosphate-2',3'-cyclic phosphate +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3 A24 (3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside +c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2 A25 18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O A26 (2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide +CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4 A27 n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide +CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3 A28 n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide +c1cc(cc(c1)O)C(=O)C(=O)O A29 2-(3-hydroxyphenyl)-2-oxo-ethanoic acid +[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O A2B l-xylulofuranose-1,2-borate +[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O A2C 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N A2D bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5 A2E (5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one +c1[nH]c2c(nc(nc2n1)F)N A2F 2-fluoroadenine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O A2G 2-acetamido-2-deoxy-alpha-d-galactopyranose +[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A2H 4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C A2I 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide +c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F A2J 3-(trifluoromethyl)quinoxalin-2(1h)-one +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7 A2K (8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O A2L 3'-o-methyoxyethyl-adenosine 5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A2M 2'-o-methyladenosine 5'-(dihydrogen phosphate) +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O A2N [(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3 A2O n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N A2P adenosine-2'-5'-diphosphate +C1CC=CC(=O)C1 A2Q cyclohex-2-en-1-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N A2R [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C A2T n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F A2V 1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4 A2W 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole +Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C A2X 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide +c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4 A2Y (3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium +CC1=CC(=O)N(c2c1ccc3c2OCO3)C A2Z 6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A31 n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3 A32 (3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside +C(C(=O)O)C(CC(=O)O)(C(=O)O)N A33 2-(carboxymethyl)-d-aspartic acid +CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A34 n6-methyl deoxyadenosine 5'-monophosphate +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A35 2-amino deoxyadenosine 5'-monophosphate +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F A36 n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide +c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl A37 2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide +c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A38 8-oxy deoxyadenosine-5'-monophosphate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A39 2'-o-methyl-adenosine 5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A3A 2'deoxy-alpha-anomeric-adenosine-5'-phosphate +C=C[C@H](C(=O)[O-])[NH3+] A3B d-vinylglycine +C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C A3C 2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O A3D 3-acetylpyridine adenine dinucleotide +CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4 A3E 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine +COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N A3G 3'-deoxy-3'-(glycylamino)adenosine +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C A3H 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O A3J 2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile +Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N A3K 6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N1CCCC1)N A3M 2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one +C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A3N 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N A3P adenosine-3'-5'-diphosphate +c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N A3Q 4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N A3R adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N A3S serine-3'-aminoadenosine +C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O A3T 3'-deoxy-3'-(l-threonylamino)adenosine +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O A3V (1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F A3W 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine +C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O A3X n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone +c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F A3Y 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N A40 n2-methyl 2'-deoxyadenosine 5'-monophosphate +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2 A41 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid +COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC A42 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N A43 3'-amino deoxyadenosine 5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O A44 2'-o-methyoxyethyl-adenosine 5'-monophosphate +c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O A45 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid +c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl A46 5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide +CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O A47 n6-methoxy adenosine 5'-monophosphate +B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O A48 4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O A49 n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5 A4A [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one +COc1ccccc1c2ccc(cc2Cl)CN A4B [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C A4C 9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide} +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N A4D 5'-thioadenosine +C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C A4E 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone +c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O A4F 5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO A4G [(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol +CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C A4H (2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC A4I (1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O A4J 6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C A4K (~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid +CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O A4L 9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium +Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N A4M [3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone +Cc1ccccc1c2ccc(cc2Cl)CN A4N [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine +c1cc(c(cc1O)O)/C=N/NC(=S)N A4O n-(2,4-dihydroxybenzylidene)-thiosemicarbazone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N A4P 6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin +CCc1ccccc1c2ccc(cc2Cl)CN A4Q [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C A4R n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1 A4S (2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1ccc(c(c1)c2ccc(cc2Cl)CN)F A4T [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine +c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N A4V 3-benzyladenine +c1cc(c(c(c1)Cl)F)NC(=O)CCS A4W ~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C A4X 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide +Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O A4Y (2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid +CCCCOc1ccc(cc1)CC(=O)NO A4Z 2-(4-butoxyphenyl)-n-hydroxyacetamide +CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A50 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +c1ccc(cc1)N\C=C\2/CCOC2=O A51 (3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one +[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-] A52 3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N A53 5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl A54 2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile +c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F A55 n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide +c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br A56 6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine +Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C A57 1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium +CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O A58 4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid +CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO A59 2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol +C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N A5A '5'-o-(n-(l-alanyl)-sulfamoyl)adenosine +COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F A5B alisertib +C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O A5C alpha-l-talofuranose +c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A5D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol +c1cc(sc1)C2=NNC(=O)CC2 A5E 3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N A5F n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide +CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N A5G 1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine +c1cc(ccc1C2=CSC3=NCCN23)Cl A5H 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole +COc1cc(cc(c1O)OC)/C=N/NC(=S)N A5I n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone +c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O A5J (1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol +c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F A5K 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N A5L 9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N A5M 2'-amine-cytidine-5'-monophosphate +[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O A5N o-carboxy-4-imino-l-homoserine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A5O adenine arabinose-5'-phosphate +C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O A5P arabinose-5-phosphate +c1cc(ccc1c2c(snn2)N)C(F)(F)F A5Q 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine +C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N A5R amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A5T (1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N A5U methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O A5V (1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol +COc1ccccc1C2CCN(CC2)C(=O)C3CCC3 A5W cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O A5X 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5 A5Y 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1c(c(no1)c2c(cccc2Cl)Cl)CO A5Z [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N A60 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 A61 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl A62 (3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one +COc1ccc(cc1)C2=CC(=O)c3ccccc3O2 A63 2-(4-methoxyphenyl)-4h-chromen-4-one +CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 A64 4'-isopropylflavone +CSc1c(c(sn1)SC)CO A65 [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol +c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N A66 2-aminoethyllysine-carbonylmethylene-adenine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C A68 n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide +c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5 A69 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N A6A 2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2 A6B (3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N A6C 2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A6D (2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol +c1cc(ccc1OCCC(=O)N2CCSCC2)F A6E 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one +c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N A6G 2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol +c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl A6H 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine +C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 A6I n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide +COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F A6J (3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6K (3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O A6L 2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl A6M (3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one +c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O A6N 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole +CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC A6O (2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O A6P 6-o-phosphono-alpha-d-allopyranose +CCNC(=S)N/N=C/c1ccc(c(c1)O)O A6Q n-(3,4-dihydroxybenzylidene)-thiosemicarbazone +CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C A6R arsenoplatin-1 +COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5 A6S 1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine +c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F A6T (1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O A6U 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O A6V (1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol +COC(=O)c1c(cc(s1)c2cccs2)N A6W methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate +Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C A6Y (s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N A6Z 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile +CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C A70 n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide +C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN A71 (6-aminohexylamine)(triammine) platinum(ii) complex +CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC A72 trans-bis(hexylamine)-(diammine) platinum(ii) complex +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br A73 2-(4-bromophenyl)-4h-chromen-4-one +COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC A74 2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide +c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3 A75 2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A76 n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A77 n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4 A78 n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 A79 n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C A7A (r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol +CC1=CC(=O)Nc2c1cccc2OC A7B 8-methoxy-4-methylquinolin-2(1h)-one +c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br A7C 3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N A7D 5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine +C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N A7E 3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5 A7G 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole +CCOc1ccc2c(c1)sc(n2)C A7H 6-ethoxy-2-methyl-1,3-benzothiazole +CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl A7I 5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide +c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium +CCNC(=S)N/N=C/c1cc(ccc1O)O A7L n-(2,5-dihydroxybenzylidene)-thiosemicarbazone +Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C A7M {1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol +CCOc1ccc(cc1)[C@@H](C)N A7N (1~{r})-1-(4-ethoxyphenyl)ethanamine +COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O A7O (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone +c1ccc(cc1)Oc2ccc(cn2)CO A7Q (6-phenoxypyridin-3-yl)methanol +c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N A7R [[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C A7S 1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide +Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl A7T (1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide +c1cc2cc(cnc2c(c1)N)O A7W 8-amino-3-quinolinol +CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC A7Y n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide +COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F A7Z 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate +CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C A80 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid +C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-] A81 6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one) +CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4 A82 2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC A83 tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate +CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F A84 2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4 A85 n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide +C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O A86 (3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate +CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3 A87 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol +COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5 A88 (5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N A89 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide +c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5 A8B n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine +CSCCC(=O)O A8C 3-(methylsulfanyl)propanoic acid +COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C A8D 5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide +C=C(C[C@@H](C(=O)O)N)Br A8E (2s)-2-amino-4-bromopent-4-enoic acid +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3 A8F 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one +C1CO[C@@H]1C(=O)O A8G (2s)-oxetane-2-carboxylic acid +c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O A8H (3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione +c1cc(ccc1O)Sc2ccc(cc2)O A8K 4-(4-hydroxyphenyl)sulfanylphenol +Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O A8L 1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N A8M 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine +c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+] A8N n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane +Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O A8O 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile +CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N A8P 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol +CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+] A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium +CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C A8S (2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol +CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N A8U propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate +c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O A8V (1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C A8W pregnenolone sulfate +c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F A8X 3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O A8Z tetrahydrodeoxycorticosterone +c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O A90 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid +Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O A91 3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one +c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N A92 2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide +Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F A93 4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate +Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O A94 n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4 A95 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide +c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F A96 6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide +CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C A97 n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide +CCSc1nnc(s1)NC(=O)OC A98 methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate +C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O A99 5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine +c1cc(ccc1c2ccc(o2)C(=O)NN)Cl A9B 5-(4-chlorophenyl)furan-2-carbohydrazide +CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9C n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N A9D (2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate +CCc1ccc(cc1)OCC(=O)N2CCCCC2 A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone +CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C A9F n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C A9G 1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C A9H abietic acid +FP(F)(F)(F)(F)F A9J hexafluorophosphate anion +c1ccc(c(c1)c2ccc(cc2Cl)CN)O A9K 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol +CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C A9L n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide +CCCCCCCCCCCCCCCCCCCC(=O)NCCO A9M n-(2-hydroxyethyl)icosanamide +Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C A9N n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide +CCc1c(c(no1)C)c2ccccc2 A9O 5-ethyl-3-methyl-4-phenyl-1,2-oxazole +Cc1c(c(on1)C)c2ccccc2 A9P 3,5 dimethyl-4-phenyl-1,2-oxazole +COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC A9Q 3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4 A9R 7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine +CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C A9S (2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid +c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl A9T 2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide +c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N A9U 2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide +c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O A9V (1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol +Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O A9W [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium +Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4 A9Y (3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O A9Z 2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c(c3ccccc3[nH+]2)N AA 9-aminoacridine +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6 AA0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide +CCOC(=O)CCC(=O)N(CC(=O)O)N AA1 [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid +CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N AA2 4-aryl-2-phenylamino pyrimidine +CCC(C(=O)O)N AA3 2-aminobutyric acid +C(C[C@@H](C(=O)O)N)CO AA4 2-amino-5-hydroxypentanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O AA5 n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine +CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O AA6 3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6 AA7 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine +C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O AA8 anguinomycin a, bound form +CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O AA9 n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C AAA (2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O AAB 2'-deoxy-ribofuranose-5'-monophosphate +CC(=O)NCC(=O)O AAC acetylamino-acetic acid +C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AAD (2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium +CC(=O)CC(=O)O AAE acetoacetic acid +COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN AAF methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate +CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O AAG n-alpha-l-acetyl-arginine +c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-] AAH 1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid +CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N AAI trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium +CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C AAK ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate +C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O AAL 3,6-anhydro-alpha-l-galactopyranose +c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AAM alpha-adenosine monophosphate +c1cc(ccc1CC(=O)O)[N+](=O)[O-] AAN 2-(4-nitrophenyl)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO AAO acarbose derived hexasaccharide +Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C AAP alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide +CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N AAQ 6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N AAR arginineamide +CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N AAS 3-actoxymercuri-4-aminobenzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N AAT s-adenosyl-1,8-diamino-3-thiooctane +COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5 AAU (5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5 AAV n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide +COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5 AAX n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C AAY 8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate +CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC AAZ n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine +COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O AB0 3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C AB1 n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC AB2 [1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate +CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N AB3 3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol +c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O AB4 2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide +[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O AB5 2(s)-amino-6-boronohexanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N AB6 (2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide +CC[C@@H](C(=O)O)N AB7 alpha-aminobutyric acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C AB8 (1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N AB9 (2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide +CC[C@@H](C(=O)O)N ABA alpha-aminobutyric acid +CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O ABB (2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO ABC modified acarbose hexasaccharide +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O ABD acarbose derived hexasaccharide +C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O ABE alpha-d-abequopyranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O ABF 5-o-phosphono-beta-d-arabinofuranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N ABG adenosine 5'-[beta,gamma-methylene]triphosphate +[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O ABH 2(s)-amino-6-boronohexanoic acid +c1cc2c(cc1C(=[NH2+])N)[nH]cn2 ABI 5-amidino-benzimidazole +CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N ABJ 3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol +C([C@@H](C(=O)C(=O)O)N)C(F)F ABK 3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O ABL (2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside +C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ABM methyl phosphonic acid adenosine ester +c1ccc(cc1)CN ABN benzylamine +COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 ABO 4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N ABP 8-bromoadenosine-5'-diphosphate +CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F ABQ [4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone +c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABR (r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O ABS (s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate +B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O ABT 3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate +C(CC(=O)O)CN ABU gamma-amino-butanoic acid +c1ccc2c(c1)nc(s2)N ABV 1,3-benzothiazol-2-amine +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C ABW 5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid +CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C ABX 5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline +COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN ABY n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine +c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl ABZ 4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile +CC(=O)c1ccccc1 AC0 1-phenylethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO AC1 4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +c1nc2c(n1COCCO)N=C(NC2=O)N AC2 9-hyroxyethoxymethylguanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AC4 aminoimidazole 4-carboxamide ribonucleotide +C1CCC(C1)(C(=O)O)N AC5 1-aminocyclopentanecarboxylic acid +CC(=O)c1ccc(cc1)O AC6 p-hydroxyacetophenone +COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N AC7 dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O AC8 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate +CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C AC9 trisacetylacetonatochromium(iii) +C(CCC(=O)O)CCN ACA 6-aminohexanoic acid +C[C@@H]([C@H](C(=O)O)N)C(=O)O ACB 3-methyl-beta-d-aspartic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+] ACC n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine +CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O ACD arachidonic acid +CC=O ACE acetyl group +c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl ACF 3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO ACG modified acarbose pentasaccharide +CC(=O)OCC[N+](C)(C)C ACH acetylcholine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO ACI 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol +c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-] ACJ 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N ACK 2',3'- cyclic amp +C(C[C@@H](C(=O)CCl)N)CNC(=N)N ACL deoxy-chloromethyl-arginine +CC(=O)N ACM acetamide +CC(=O)C ACN acetone +CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ACO acetyl coenzyme *a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N ACP phosphomethylphosphonic acid adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N ACQ diphosphomethylphosphonic acid adenylate ester +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO ACR alpha-acarbose +C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S ACS 1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one +CC(=O)[O-] ACT acetate ion +CC=O ACU acetaldehyde +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACV l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine +CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ACW d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O ACX alpha-cyclodextrin (cyclohexa-amylose) +CC(=O)O ACY acetic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N ACZ cis-amiclenomycin +CN1C[C@H](C2=CC(=O)C(=O)C=C21)O AD1 (3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N AD2 2'-deoxy-adenosine-3'-5'-diphosphate +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N AD3 3-deaza-adenosine +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O AD4 (3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate +c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5 AD5 n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine +CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br AD6 4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O AD7 octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside +c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3 AD8 1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N AD9 adp metavanadate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O ADA alpha-d-galactopyranuronic acid +c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl ADB 4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile +c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N ADC (1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine +CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC ADD 2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid +c1[nH]c2c(n1)c(ncn2)N ADE adenine +CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O ADF 4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O ADG o-3-amino-3-deoxy-alpha-d-glucopyranose +C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O ADH 1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N ADI 2',3'-dideoxyadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N ADJ nicotinamide-adenine-dinucleotide-adenylate intermediate +Cn1cnc(c-2ncnc12)N ADK 3-methyl-3h-purin-6-ylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 ADL (1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid +C1C2CC3CC1CC(C2)C3 ADM adamantane +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N ADN adenosine +C1C2CC3CC1CC(C2)C3=O ADO adamantanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N ADP adenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N ADQ adenosine-5'-diphosphate-glucose +C1[C@H](CO[C@@H]([C@H]1O)CN)N ADR 2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N ADS adenosine-5'-(dithio)phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C ADT 3'-deoxy-3'-acetamido-thymidine +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO ADU 3'-deoxy-3'-acetamido-uridine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N ADV alpha-beta methylene adp-ribose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N ADW adenosine-5'-ditungstate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N ADX adenosine-5'-phosphosulfate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N ADY 3'-oxo-adenosine +Cn1cnc2c1ncnc2N ADZ 9-methyl-9h-purin-6-amine +CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C AE0 ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate +CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O AE1 2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AE2 aetiocholanolone +CCOCCOCCO AE3 2-(2-ethoxyethoxy)ethanol +CCOCCOCCOCCOCCOCCO AE4 3,6,9,12,15-pentaoxaheptadecan-1-ol +C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N AE5 n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid +Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5 AE6 6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one +Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4 AE7 (3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one +c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O AE8 (s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one +C(CO)N=[N+]=[N-] AE9 2-azidoethanol +C([C@H](C(=O)N)N)SCC(=O)O AEA (2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid +c1cc(c(cc1CCN)C2CCCCC2)O AED 4-(2-aminoethyl)-2-cyclohexylphenol +CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 AEE 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1cc(ccc1CCN)O AEF 4-(2-aminoethyl)phenol +C[C@H](Cc1ccc(cc1)O)N AEG 4-[(2r)-2-aminopropyl]phenol +CCc1cc(ccc1O)CCN AEH 4-(2-aminoethyl)-2-ethylphenol +C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N AEI threonine-aspartic ester +c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O AEJ (1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol +CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O AEK 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O AEL 2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +[H]/N=C/CN AEM 2-aminoethanimidic acid +CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O AEN 5-(1-sulfonaphthyl)-acetylamino-ethylamine +c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O AEO 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O AEP 3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid +CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC AEQ methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O AER abiraterone +c1cc(ccc1CCN)S(=O)(=O)F AES 4-(2-aminoethyl)benzenesulfonyl fluoride +C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O AET n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate +c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3 AEU n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine +CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4 AEV 2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one +CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N AEW 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one +CCCCNc1cc2c3ccccc3[nH]c2cn1 AEX n-butyl-9h-beta-carbolin-3-amine +c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3 AEY 7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O AEZ (4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol +c1ccc-2c(c1)Cc3c2ccc(c3)N AF 2-aminofluorene +CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F AF0 n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide +CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO AF1 4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N AF2 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) +F[Al](F)F AF3 aluminum fluoride +CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N AF4 2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan +c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5 AF5 (7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid +c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2 AF6 n-benzyl-9h-beta-carbolin-3-amine +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C AF7 (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 AF8 3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide +CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC AF9 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide +CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O AFA n-[7-methyl-oct-2,4-dienoyl]asparagine +C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O AFB 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one +CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N AFC (3r,12r)-3-amino-12-methyltetradecanoic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O AFD alpha-d-allopyranose +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O AFE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3 AFF 2-acetylaminofluorene-3-yl +c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N AFG n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N AFH adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose +c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O AFI 2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O AFJ (2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide +Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC AFK [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O AFL alpha-l-fucose +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F AFM 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O AFN 8,9-dihydro-9-hydroxy-aflatoxin b1 +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AFO octyl alpha-d-arabinofuranoside +C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O AFP 1,6-di-o-phosphono-alpha-d-fructofuranose +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N AFQ 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O AFR alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride +C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N AFS n-[(1r)-1-phosphonoethyl]-l-alaninamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2 AFT aflatoxin b1 +c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4 AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide +c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5 AFV 2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide +COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F AFW [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N AFX (4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O AFY (3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid +[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N AFZ 2,4-bis(4-amidinophenyl)furan +[Ag+] AG silver ion +CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5 AG0 (6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+] AG1 ruthenium pyridocarbazole +C(CCNC(=N)N)CN AG2 agmatine +[H]/N=C(/N)\NCCCCNCCCN AG3 1-{4-[(3-aminopropyl)amino]butyl}guanidine +COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N AG4 n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N AG5 n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide +CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3 AG6 n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C AG7 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester +C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C AG8 s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate +C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O AG9 agmatidine +CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O AGA (1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 AGB n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O AGC alpha-d-glucose +c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N AGD 3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine +Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2 AGE (2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide +C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 AGF o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate +CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O AGG tirofiban +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O AGH n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O AGI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO AGJ n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide +C1[C@H]([C@H]([C@H](NN1)CO)O)O AGK (3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N AGL 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N AGM 5-methyl-arginine +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N AGN phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O AGO 2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O AGP 2-deoxy-2-amino glucitol-6-phosphate +[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N AGQ 3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O AGR [(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N AGS phosphothiophosphoric acid-adenylate ester +C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN AGT s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine +C(=N)(N)NN AGU aminoguanidine +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O AGV (2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol +c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O AGW [(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate +C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl AGX (1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate +CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3 AGY 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C AH0 2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid +c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 AH1 aha001 +C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AH2 1-deoxy-alpha-d-mannopyranose +CCOc1cc2c(cc1OC)CCN(C2)C=O AH3 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO AH4 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide +CCOc1cc2c(cc1OC)CN(CC2)C=O AH6 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO AH7 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide +C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O AH8 (2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol +COc1cc2c(cc1OC)CN(CC2)C=O AH9 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C(CCC(=O)O)CCN AHA 6-amino hexanoic acid +[C@H]([C@@H](C(=O)N)O)(C(=O)O)N AHB beta-hydroxyasparagine +c1cc(ccc1CCC(=O)O)N AHC 4-aminohydrocinnamic acid +C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN AHD 4-amino-1-hydroxybutane-1,1-diyldiphosphonate +C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N AHE 2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid +COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O AHF 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol +C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHG 2,5-anhydro-1,6-di-o-phosphono-d-glucitol +CCCC[C@H]([C@@H](C(=O)O)O)N AHH amino-hydroxyheptanoic acid +C(C[NH3+])CN/C(=N/O)/N AHI 3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium +CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3 AHK 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium +[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N AHL n-hydroxy-l-argininamide +C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O AHM 2,5-anhydro-1,6-di-o-phosphono-d-mannitol +CC(=O)NCCc1c[nH]cn1 AHN n-[2-(1h-imidazol-4-yl)ethyl]acetamide +CC(=O)N(CCC[C@@H](C(=O)O)N)O AHO n-acetyl-n-hydroxy-l-ornithine +CCCCC[C@@H](C(=O)O)N AHP 2-amino-heptanoic acid +C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O AHQ (2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid +C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O AHR alpha-l-arabinofuranose +CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O AHS (3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid +c1cc(ccc1C[C@@H](CCC(N)O)N)O AHT 4-(2,5-diamino-5-hydroxy-pentyl)-phenol +C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I AHU 1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol +CCc1ccc2ccc(cc2c1)OC AHW 2-ethyl-7-methoxy-naphthalene +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N AHX seryl-hydroxamate-adenosine monophosphate +CCCCCCC[C@H]([C@@H](C(=O)O)O)N AHY (2s,3r)-3-amino-2-hydroxydecanoic acid +Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AHZ adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4 AI (2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide] +c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O AI1 n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide +[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O AI2 3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol +COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5 AI3 2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N AI5 (2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid +CCCCCCCOc1cccc(c1)C(=O)O AI7 3-(heptyloxy)benzoic acid +CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O AI8 ceftaroline, bound form +C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AI9 [(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN AIA (1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine +CC(C)(C(=O)O)N AIB alpha-aminoisobutyric acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C AIC (2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O AIF [(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AIG hexyl 3-amino-3-deoxy-beta-d-galactopyranoside +C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIH (2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol +C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIJ (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C AIK n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide +c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3 AIL n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide +C1CC(=C2C=NC(=N2)N)CCC1N AIM 4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine +CC(=O)Oc1ccccc1C(=O)O AIN 2-(acetyloxy)benzoic acid +B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O AIO [(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid +c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N AIQ 2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N AIR 5-aminoimidazole ribonucleotide +c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N AIS 5-aminoimidazole ribonucleoside +C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5 AIT (2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O AIU (2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol +c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O AIV hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+) +c1ccc(cc1)C[SeH] AIW phenylmethaneselenol +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C AIX (2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl AIZ 3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid +CC(=O)Nc1ccc2c(c1)sc(n2)NC AJ1 n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide +Cc1cc(nc2c1cccc2)O AJ2 4-methylquinolin-2-ol +C=CC[S@@](=O)C/C=C/S AJ3 3-(prop-2-ene-1-sulfinyl)-propene-1-thiol +CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F AJ4 7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC AJ5 3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N AJ6 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 AJ7 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide +CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O AJ8 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid +CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C AJ9 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one +CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O AJA (6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid +Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C AJB 2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2 AJD 5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid +C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O AJE (3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid +CC(=O)N=C1Nc2ccc(cc2S1)C#N AJG n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide +c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O AJH 4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid +Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F AJI 3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide +CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O AJJ 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3 AJK (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4 AJL (1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O AJM ajmaline +C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC AJN ajmalicine +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 AJP digitonin +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O AJQ [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid +CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO AJR 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol) +c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2 AJU 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid +C1=CC2=C(C(=O)N=C2C(=C1)F)NO AJV 7-fluoro-3-(hydroxyamino)-2h-indol-2-one +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4 AJX (1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +Cc1cc\2c(cc1Br)NC(=O)/C2=N\O AJY (3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one +c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4 AJZ 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F AK0 (1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F AK1 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3 AK2 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea +Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F AK3 1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3 AK4 (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid +COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3 AK5 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide +COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4 AK6 4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide +c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F AK7 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea +Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F AK8 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O AKA 10-decarboxymethylaclacinomycin a (dcmaa) +CC(=O)[C@@H](C(=O)O)N AKB 2-amino-3-ketobutyric acid +CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O AKC 2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2 AKD 5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate +c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO AKE 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione +C(CC(=O)O)C(=O)C(=O)O AKG 2-oxoglutaric acid +c1cc2ccoc2c(c1)C(=O)O AKH 1-benzofuran-7-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6 AKI 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F AKJ 1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C/C=C\N AKK (1z)-prop-1-en-1-amine +C([C@@H](C(=O)CCl)N)C(=O)O AKL 3-amino-5-chloro-4-oxopentanoic acid +C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O AKM [(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N AKN (2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide +Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC AKO (1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3 AKP n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide +C=CC(=O)O AKR acrylic acid +CCCCCC(=O)NCCCCC#C AKS n-(hex-5-yn-1-yl)hexanamide +CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O AKT 10-decarboxymethylaclacinomycin t (dcmat) +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4 AKU (1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde +CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O AKV {3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O AKW [(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid +C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C AKX (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O AKY methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate +C([C@@H](C(O)O)N)C(=O)O AKZ (3s)-3-amino-4,4-dihydroxybutanoic acid +[Al+3] AL aluminum ion +C([C@@H](C(=O)O)N)N(N=O)O AL0 3-[hydroxy(nitroso)amino]-l-alanine +COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N AL1 3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL2 3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O AL3 3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC AL4 (r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL5 thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide) +COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N AL6 2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide +CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL7 (s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC AL8 (r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N AL9 n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide +C[C@@H](C(=O)O)N ALA alanine +C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 l-alaline c-terminal deprotonated fragment +C[C@@H](C(=O)O)[NH-] ALA_LEO2H l-alaline c-terminal protonated fragment +C[C@@H](C(=O)O)N ALA_LFOH l-alaline free neutral +C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW l-alaline free zwitterion +C[C@@H]([C-]=O)[NH-] ALA_LL l-alaline - linking embedded fragment +C[C@@H]([C-]=O)[NH3+] ALA_LSN3 l-alaline n-terminal protonated fragment +CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C ALB delta-2-albomycin a1 +C1CCC(CC1)C[C@@H](C(=O)O)N ALC 2-amino-3-cyclohexyl-propionic acid +CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ALD n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide +CNC[C@@H](c1ccc(c(c1)O)O)O ALE l-epinephrine +F[Al-](F)(F)F ALF tetrafluoroaluminate ion +[H]/N=C(\N)/NCCCC(=O)O ALG 4-carbamimidamidobutanoic acid +CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 ALH 6-phenyl[5h]pyrrolo[2,3-b]pyrazine +C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O ALI methyl n-acetyl allosamine +C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N ALJ cyclo-(l-arginine-l-proline) inhibitor +C[C@H](O)P(=O)(O)OC ALK methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O ALL beta-d-allopyranose +C[C@@H](C(=O)C)N ALM 1-methyl-alaninal +c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N ALN naphthalen-2-yl-3-alanine +C[C@@H]([C@@H](C(=O)O)N)O ALO allo-threonine +CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C ALP 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)C(=O)O ALQ 2-methyl-propionic acid +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O ALR alrestatin +[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N ALS (3s)-3-(sulfooxy)-l-serine +C[C@@H](C(=S)O)N ALT thioalanine +CC(=O)[P@](=O)(O)OC ALU methyl hydrogen (s)-acetylphosphonate +C[C@@H](C(O)O)N ALV (2s)-2-aminopropane-1,1-diol +CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC ALW methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O ALX 2-o-phosphono-alpha-d-glucopyranose +CC(=O)NCCCC[C@@H](C(=O)O)N ALY n(6)-acetyllysine +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN ALZ 2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester +[Am+3] AM americium ion +COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5 AM0 n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine +Cc1c(c(no1)C(=O)O)CC(C(=O)O)N AM1 (s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid +CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O AM2 apramycin +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O AM3 (3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +CS(=O)(=O)c1ccc(cc1)C(=N)N AM4 4-(methylsulfonyl)benzenecarboximidamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F AM5 4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide +Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F AM6 2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6 AM7 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one +Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C AM8 n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide +Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C AM9 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O AMA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +CO\C=C/[C@@H](C(=O)O)N AMB l-2-amino-4-methoxy-cis-but-3-enoic acid +C1CCC(CC1)C[NH3+] AMC aminomethylcyclohexane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N AMD aspartyl-2'-deoxy-adenosine-5'-monophosphate +CC(=O)N[C@@H](CCSC)C(=O)O AME n-acetylmethionine +CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O AMF (3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol +CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O AMG methyl alpha-d-galactopyranoside +C1CC(CCC1CN)C(=O)O AMH trans-4-aminomethylcyclohexane-1-carboxylic acid +CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O AMI allosamizoline +CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1 AMJ n~2~-acetyl-n-benzyl-o-methyl-l-serinamide +CCCCCN AML amylamine +CC(C)C[C@H](C[Si](CN)(O)O)C=O AMM (2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O AMN methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N AMO aspartyl-adenosine-5'-monophosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AMP adenosine monophosphate +Cc1c(c(no1)O)C[C@@H](C(=O)O)N AMQ (s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid +c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N AMR 3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide +c1cc(c(cc1S(=O)(=O)N)[Hg])N AMS 3-mercuri-4-aminobenzenesulfonamide +c1csc(n1)N AMT 2-aminothiazole +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C AMU n-acetyl-beta-muramic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C AMV methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N AMW adenosine monotungstate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O AMX amidocarboxymethyldethia coenzyme *a +CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AMY antimycin +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N AMZ aminoimidazole 4-carboxamide ribonucleotide +CCC[C@@H](C(=O)O)NC(=O)C AN0 n-acetyl-l-norvaline +Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O AN1 3-(10-methyl-anthracen-9-yl)-propionic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N AN2 amp phosphoramidate +c1ccc2cc3ccccc3cc2c1 AN3 anthracene +c1cc(cnc1)C2=NCCCC2 AN4 3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(cnc1)C(=O)CCCCN AN5 5-amino-1-pyridin-3-ylpentan-1-one +CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AN6 5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O AN7 (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid +CCCCCCC[C@@H](C(=O)O)N AN8 (2s)-2-aminononanoic acid +CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC AN9 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C ANA methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C ANB androsta-1,4-diene-3,17-dione +c1ccc2cc3c(cccc3N)cc2c1 ANC anthracen-1-ylamine +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C AND 3-beta-hydroxy-5-androsten-17-one +c1[nH]c2c(n1)c(ncn2)N ANE adenine +c1ccc2c(c1)cc3ccccc3c2O ANF anthrone +c12c([nH]c(n1)N)N=C(NC2=O)N ANG 8-aminoguanine +Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC ANH methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate +c1cc(ccc1C(F)(F)F)N ANI 4-(trifluoromethyl)aniline +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC ANJ (2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N ANK 9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine +c1ccc(cc1)N ANL aniline +CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O ANM anisomycin +COc1ccc(cc1)C(=O)O ANN 4-methoxybenzoic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ANO 5-beta-androstane-3,17-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N ANP phosphoaminophosphonic acid-adenylate ester +c1cc2cccc3c2c(c1)C(=O)C3=O ANQ acenaphthenequinone +CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C ANR anhydroretinol +CN(C)c1cccc2c1cccc2S(=O)(=O)O ANS 5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid) +Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O ANT anthramycin +C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O ANU 2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil +c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O ANV 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O ANW 2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-] ANX 2,5-dinitrophenol +CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC ANY 2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester +[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ANZ [(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate +CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C AO acridine orange +CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N AO1 (2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide +Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O AO2 n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O AO3 allosamidin +c1cnc(cc1C(=O)O)Cl AO4 2-chloropyridine-4-carboxylic acid +CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N AO5 n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide +CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O AO6 2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione +c1ccc2c(c1)C(=O)C=C(O2)C(=O)O AO7 4-oxo-4h-1-benzopyran-2-carboxylic acid +B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid +c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O AO9 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine +C(C(=O)O)ON AOA (aminooxy)acetic acid +c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N AOB (e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O AOC 5'-o-prop-2-yn-1-yladenosine +c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O AOD 5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O AOE n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O AOF n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O AOG octyl 3-amino-3-deoxy-beta-d-galactopyranoside +CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C AOH 8(1)-oh-chlorophyll af +C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOI androsterone +c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O AOJ (3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C AOK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine +C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N AOL (1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O AOM 5-alpha-androstane-3-beta,17beta-diol +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O AON 5-alpha-androstane-3-beta,17-alpha-diol +CCNc1nc(nc(n1)OC)NC(C)C AOO n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine +CCCCCONCC=O AOP pentyloxyamino-acetaldehyde +c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione +CC(=O)N[C@@H](CCCN)C(=O)O AOR n~2~-acetyl-l-ornithine +C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O AOS d-allose +c1ccc(cc1)NC(=O)C(=O)O AOT 2-oxidanylidene-2-phenylazanyl-ethanoic acid +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C AOU (2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N AOV adp orthovanadate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O AOW [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium +C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O AOX (3beta,5alpha)-3-hydroxyandrostan-17-one +c1ccc(cc1)N/C=C/2\CCCOC2=O AOY (3e)-3-[(phenylamino)methylidene]oxan-2-one +CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O AOZ histopine +c1cc2ccc3ccc(c4c3c2c(c1)cc4)N AP n-1-aminopyrene +CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O AP0 acetyl pyridine adenine dinucleotide, reduced +CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O AP1 {3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N AP2 phosphomethylphosphonic acid adenosyl ester +CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C AP3 2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N AP4 7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N AP5 bis(adenosine)-5'-pentaphosphate +c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2 AP6 2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N AP7 n1-protonated adenosine-5'-monophosphate +C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC AP8 (8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate +CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N AP9 (2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N APA (2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid +B(c1cccc(c1)N)(O)O APB m-aminophenylboronic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N APC diphosphomethylphosphonic acid adenosyl ester +Cc1cccc(c1)C[C@@H](C(=O)O)N APD 3-methylphenylalanine +c1ccc(cc1)C[C@H](N)NC(=O)O APE (1-amino-2-phenyl-ethyl)-carbamic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F APF 1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone) +C[C@](c1ccccc1)(C(=O)O)O APG atrolactic acid (2-phenyl-lactic acid) +c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N APH p-amidinophenyl-3-alanine +C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N API 2,6-diaminopimelic acid +c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2 APJ n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N APK 5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine +CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O APL n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide +c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N APM m-amidinophenyl-3-alanine +c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N APN 2-aminoethylglycine-carbonylmethylene-adenine +C([C@H](C(=O)O)N)P(=O)(O)O APO d-2-amino-3-phosphono-propionic acid +CC(=O)N1CCCC[C@H]1C(=O)O APP 1-acetyl-2-carboxypiperidine +CCCSCc1cc(cc2c1N=C(NC2=O)N)N APQ 2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N APR adenosine-5-diphosphoribose +C[C@@H](Cn1cnc2c1ncnc2N)O APS 9-hydroxypropyladenine, s-isomer +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O APT 2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N APU adenylyl-3'-5'-phospho-uridine-3'-monophosphate +C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O APV 6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N APW {5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N APX 2'-monophosphoadenosine-5'-diphosphoribose +c1ccnc(c1)CN APY 2-aminomethyl-pyridine +c1cc2c(cc1N)C(=O)NNC2=O APZ 4-aminophthalhydrazide +c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-] AQ0 2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one +CCCC1=CC(=O)NC(=N1)Nc2ccccc2F AQ1 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one +CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4 AQ2 n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O AQ3 n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine +COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C AQ4 [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5 AQ5 (6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O AQ6 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid +CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O AQ7 n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC AQ8 ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O AQ9 1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose +C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O AQA 4-deoxy-beta-l-threo-hex-4-enopyranuronic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C AQB n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N AQC 9,10-dioxo-9,10-dihydroanthracene-2-carboxamide +C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl AQD nemonapride +c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5 AQE 2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole +CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 AQG 4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N AQH [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O AQJ (3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C(C[C@@H](C(=O)O)NCC(=O)O)CN AQK (2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C AQM n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O AQN 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)NC(=N2)N AQO 2-aminoquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N AQP adenosine-5'-tetraphosphate +C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O AQQ (2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid +c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] AQS n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC AQT ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine +CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4 AQU 1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea +C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C AQV 2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl AQW 2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-] AQY n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 AQZ n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide +[Ar] AR argon +c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O AR0 4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O AR1 (2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium +[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N AR2 arginyl-benzothiazole-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O AR3 cytarabine +C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N AR4 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C AR5 n~2~-(tert-butoxycarbonyl)-l-arginine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N AR6 [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +C(C[C@@H](C(O)O)N)CNC(=[NH2+])N AR7 amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O AR8 n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O AR9 (2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O ARA alpha-l-arabinopyranose +C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O ARB beta-l-arabinopyranose +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO ARC 3,7,11,15-tetramethyl-hexadecan-1-ol +Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C ARD c15-(r)-methylthienyl rapamycin +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO ARE acarbose derived pentasaccharide +C(=O)N ARF formamide +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG arginine +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2 l-arginine c-terminal deprotonated fragment +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H l-arginine c-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH12 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH22 l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H_RNH1 l-arginine-c-terminal protonated fragment/side chain resonance alternate +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH12 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-] ARG_LEO2_DHH22 l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N ARG_LEO2_RNH1 l-arginine-c-terminal deprotonated fragment/side chain resonance alternate +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH l-arginine free neutral +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH12 l-arginine-free neutral/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH22 l-arginine-free neutral/with side chain deprotonated nh2 +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH_RNH1 l-arginine-free neutral/side chain resonance alternate +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW l-arginine free zwitterion +[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH12 l-arginine-free zwitterion/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+] ARG_LFZW_DHH22 l-arginine-free zwitterion/with side chain deprotonated nh2 +C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG_LFZW_RNH1 l-arginine-free zwitterion/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL l-arginine - linking embedded fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH12 l-arginine-linking embedded fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-] ARG_LL_DHH22 l-arginine-linking embedded fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N ARG_LL_RNH1 l-arginine-linking embedded fragment/side chain resonance alternate +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3 l-arginine n-terminal protonated fragment +[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH12 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1 +[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+] ARG_LSN3_DHH22 l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2 +C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N ARG_LSN3_RNH1 l-arginine-n-terminal protonated fragment/side chain resonance alternate +C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O ARH 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione +C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C ARI (2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N ARJ (2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone +c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O ARK n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C ARL 7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid +CC(=O)[C@H](CCCNC(=N)N)N ARM deoxy-methyl-arginine +C(CC=N)CC=O ARN 1-imino-5-pentanone +C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N ARO c-gamma-hydroxy arginine +C[C@H](Cn1cnc2c1ncnc2N)O ARP 9-hydroxypropyladenine, r-isomer +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O ARQ benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl ARR n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[As] ARS arsenic +[O-][As](=O)([O-])[O-] ART arsenate +CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O ARU 5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine +C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N ARV 5-n-allyl-arginine +CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O ARW methyl beta-d-arabinopyranoside +[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ARX (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide +C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N ARZ (3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N AS 2-deoxy-adenosine -5'-thio-monophosphate +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O AS0 4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O AS1 argininosuccinate +C(C=O)[C@H](C(=O)O)N AS2 (2r)-2-amino-4-oxobutanoic acid +CCCc1cc(cc(n1)N)C AS3 4-methyl-6-propylpyridin-2-amine +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O AS4 aldosterone +Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO AS6 {4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol +c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N AS7 n4-(4-cyanobenzyl)-l-asparagine +CC(=O)OS(=O)(=O)O AS8 acetylsulfate +C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O AS9 n-[hydroxy(methyl)phosphoryl]-l-aspartic acid +C([C@@H](C=O)N)C(=O)O ASA aspartic aldehyde +C([C@@H](C(=O)O)N)C(=O)OCC(=O)O ASB aspartic acid-4-carboxymethyl ester +C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ASC ascorbic acid +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C ASD 4-androstene-3-17-dione +CC(=O)NCCc1c[nH]c2c1cc(cc2)O ASE n-acetyl serotonin +CCCCS(=O)(=O)CCC(=O)O ASF 3-(butylsulphonyl)-propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O ASG 2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose +c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl ASH 3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine +C([C@@H](C(=O)[O-])N)C(=O)O ASI l-iso-aspartate +C([C@@H](CO)N)C(=O)O ASJ (3s)-3-amino-4-hydroxybutanoic acid +CC(=O)[C@H](CC(=O)O)N ASK dehydroxymethylaspartic acid +CC(C(=O)O)OC(=O)CC(C(=O)O)N ASL aspartic acid-4-carboxyethyl ester +c1ccn(c1)C(=O)C[C@@H](C(=O)O)N ASM 2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid +C([C@@H](C(=O)O)N)C(=O)N ASN asparagine +C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 l-asparagine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H l-asparagine c-terminal protonated fragment +C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH l-asparagine free neutral +C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW l-asparagine free zwitterion +C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL l-asparagine - linking embedded fragment +C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 l-asparagine n-terminal protonated fragment +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O ASO 1,5-anhydro-d-glucitol +C([C@@H](C(=O)O)N)C(=O)O ASP aspartic acid +C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 l-aspartic acid c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H l-aspartic acid c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH-])C(=O)[O-] ASP_LEO2_DHD2 l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH l-aspartic acid free neutral +C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 l-aspartic acid-free neutral/with side chain deprotonated od2 +C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW l-aspartic acid free zwitterion +C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] ASP_LFZW_DHD2 l-aspartic acid-free zwitterion/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL l-aspartic acid - linking embedded fragment +C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 l-aspartic acid-linking embedded fragment/with side chain deprotonated od2 +C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 l-aspartic acid n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2 +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O ASQ phosphoaspartate +c1cc(ccc1N)[As](=O)(O)O ASR 4-aminophenylarsonic acid +C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4 ASS (e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine +[O-][As]([O-])[O-] AST arsenite +C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O ASU 4'-thio-2'4'-dideoxyribofuranose-5'-phosphate +C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ASV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine +COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C ASW n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide +*=C(*)C[C@@H](C(=O)O)N ASX asp/asn ambiguous +CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O ASY (12e)-10-oxooctadec-12-enoic acid +CN(C)CCS(=O)(=O)O ASZ 2-(dimethylamino)ethanesulfonic acid +CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N AT1 (s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid +CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C AT2 ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate +CC(=O)SCC[N+](C)(C)C AT3 acetylthiocholine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N AT4 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine +C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl AT5 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone +Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N AT6 n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N AT7 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl AT8 2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F AT9 [[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C ATA atrazine glutathione conjugate +CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O ATC 9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O ATD thymidine-3'-phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C ATE 16,17-androstene-3-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N ATF phosphodifluoromethylphosphonic acid-adenylate ester +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N ATG phosphothiophosphoric acid-adenylate ester +C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-] ATH 4-hydroxy-aconitate ion +CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N ATI n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid +CCO[P@H](=O)O ATJ ethyl hydrogen phosphonate +c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O ATK (1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O ATL [(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-] ATM 3'-azido-3'-deoxythymidine-5'-monophosphate +CC(=O)CCl ATO chloroacetone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N ATP adenosine-5'-triphosphate +C1CSC(=N1)N ATQ 2-aminothiazoline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N ATR 2'-monophosphoadenosine-5'-diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N ATS gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate +CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S ATT 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2 ATU 9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4 ATV 2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O ATW (1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid +C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N ATX (2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C ATY 3'-o-acetylthymidine-5'-diphosphate +CCNc1nc(nc(n1)Cl)NC(C)C ATZ 2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine +[Au+] AU gold ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N AU1 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine +c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl AU2 2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium +[Au+3] AU3 gold 3+ ion +CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N AU4 4,4'-(aminomethylene)bis(n,n-dimethylaniline) +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5 AU5 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one +Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O AU6 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid +C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5 AU7 (2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl AU8 [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 AUB 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid +C(#N)[Au]C#N AUC gold (i) cyanide ion +CC1=CC(=O)NS(=O)(=O)O1 AUD acesulfame +c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N AUE 6-(3-chlorophenyl)pteridine-2,4,7-triamine +CC[P-](CC)(CC)[Au+] AUF triethylphosphanuidylgold(1+) +c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N AUG 6-(3-bromophenyl)pteridine-2,4,7-triamine +CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3 AUH 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine +CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O AUI 3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one +Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO AUJ 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C AUK 1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O AUL 2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate) +C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C AUN (2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O AUO (8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid +c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5 AUP 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine +C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC AUQ (2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide +CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C AUR aurovertin b +CCc1ccccc1c2c(cc(cc2Cl)CN)Cl AUT [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine +C1CC2C[C@H]1[C@@](C2)(C(=O)O)N AUU (1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid +c1ccc(c(c1)c2cccc(c2)C(=O)O)O AUV 3-(2-hydroxyphenyl)benzoic acid +CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl AUW 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine +C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O AUX 4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine +Cc1cc(sc1)CNc2cnccc2C(=O)O AUY 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid +Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C AUZ bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O AV0 2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N AV1 [(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N AV2 adenosine-5'-diphosphate-2',3'-vanadate +CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC AV3 4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline +CN(C)c1cccc(c1)c2cccc(c2)C(=O)O AV4 3-[3-(dimethylamino)phenyl]benzoic acid +CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O AV5 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O AV6 4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol +CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O AV7 3-(3-acetamidophenyl)benzoic acid +CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1 AV9 tivozanib +c1ccnc(c1)c2cccc(c2)C(=O)O AVA 3-pyridin-2-ylbenzoic acid +c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2 AVB (3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N AVC adenosine-5'-monophosphate-2',3'-vanadate +c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O AVD 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F AVE 4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid +c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O AVF 1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid +C(COCCN)[C@@H](C(=O)O)N AVG 2-amino-4-(2-amino-ethoxy)-butyric acid +C=C[C@@H]1CCC([C@@H](C1)O)O AVH (1r,2r,4r)-4-ethenylcyclohexane-1,2-diol +CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O AVI n,n-dimethyl-l-histidine +C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O AVJ n,n,n-trimethyl-histidine +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 AVK ~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine +CC(C)c1c(c2ccccn2n1)C(=O)C(C)C AVL 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3 AVM 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid +C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N AVN (2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2 AVO pyrrolidinohistidine +c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N AVP acyclovir triphosphate +Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O AVQ 2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N AVR (2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O AVT 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N AVU [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N AVV [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N AVW [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N AVX 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 AVY (1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3 AVZ (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium +Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C AW0 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O AW1 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine +CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW2 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O AW3 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl AW4 (1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1)O)C(=O)O AW5 3-methyl-5-oxidanyl-benzoic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl AW6 4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide +c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 AW7 2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine +CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O AW8 2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid +COC(=O)C=CC(=O)O AW9 (2z)-4-methoxy-4-oxobut-2-enoic acid +COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O AWA (6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C AWB [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate +c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O AWC 2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine +CN1CCN(CC1)C(=O)Nc2ccc(cc2)F AWD ~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide +c1cc(cc(c1)F)c2ccc(cc2Cl)CN AWE [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine +Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F AWF 2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol +c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2 AWG ~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine +CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O AWH 3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid +Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F AWJ (2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol +CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C AWK ~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine +Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl AWL 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone +CN1CCN(CC1)c2nc3ccccc3s2 AWM 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole +c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3 AWN 2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine +CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC AWO n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea +c1cnccc1CCNC(=O)NC2CCCCC2 AWP 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea +Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O AWQ 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid +COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F AWR 4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine +CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O AWS 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC AWT 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O AWU [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3 AWV 3-(azepan-1-ylmethyl)-1~{h}-indole +Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC AWW [2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C AWX n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide +CC(=O)NCCc1cccc2c1cc(cc2)OC AWY ~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC AWZ ~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C AX0 n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide +c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 AX1 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1(nc(nc(n1)N)N)N AX2 1,3,5-triazine-2,4,6-triamine +C1CC1Nc2nc(nc(n2)N)N AX3 n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine +Cc1ccc(cc1)Sc2cc(nc(n2)N)N AX4 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc(cc1)CSc2cc(nc(n2)N)N AX5 6-(benzylsulfanyl)pyrimidine-2,4-diamine +COc1ccc(cc1)CSc2cc(nc(n2)N)N AX6 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine +c1ccc2c(c1)[nH]c(n2)N AX7 1h-benzimidazol-2-amine +c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N AX8 1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2 AXA (5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide +c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N AXB n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide +Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4 AXC 5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline +CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN AXD 2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid +C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC AXE 6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O AXF (2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide +c1ccc(cc1)CN2CCC(CC2)n3cccc3 AXG 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC AXH 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine +CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4 AXI axitinib +CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C AXJ [(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol +c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AXK [(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C AXL 2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +C1C2CC3CC1CC(C2)(C3)CC(=O)NO AXM n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C AXN ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +C/C=N/O AXO (1e)-n-hydroxyethanimine +CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O AXP (1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O AXQ {(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester +CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O AXR methyl alpha-d-arabinofuranoside +c1cc(ccc1CNC[C@H]2CCCO2)F AXS 1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C AXT astaxanthin +Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C AXU 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one +c1ccc2c(c1)[nH]c(n2)NC#N AXV 1~{h}-benzimidazol-2-ylcyanamide +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F AXW 6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1 AXX 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4 AXY (2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid +c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O AXZ 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O AY0 (1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid +CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C AY1 [(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C AY2 ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +c1c[nH]nc1c2cc(cc(c2O)F)F AY4 2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol +c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O AY5 [(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl AY6 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl AY7 asciminib +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3 AY8 [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid +C1C(=O)C(=C[C@H](O1)CO)O AY9 ascopyrone m +C[C@@H](C(=O)O)NC(=O)C AYA n-acetylalanine +CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N AYB 5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H](C(=O)CCC(=O)O)NC(=O)C AYC alaremycin 2 +Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C AYD 4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate +C=CCN AYE prop-2-en-1-amine +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N AYG [(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O AYH (1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O AYI (1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester +CS(=O)(=O)N(CC(=O)N)C1CCCCC1 AYJ 2-[cyclohexyl(methylsulfonyl)amino]ethanamide +CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYK (3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide +c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O AYL 5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine +Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N AYM 3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide +c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N AYN 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide +CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4 AYO (4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O AYQ n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide +c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2 AYR (2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one +c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl AYS 2-[(4-chlorophenyl)amino]benzamide +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O AYT (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N AYU [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(CO)(CO)NC(=O)Nc1ccccc1 AYV 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea +Cc1cc(cc2c1C(=O)CO2)O AYW 4-methyl-6-oxidanyl-1-benzofuran-3-one +c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N AYX 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide +c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O AYZ 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid +CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O AZ0 ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +C(CCCC(=O)O)CCCC(=O)O AZ1 azelaic acid +CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O AZ2 (2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid +[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N AZ3 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide +c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F AZ4 n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide +Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl AZ5 5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine +C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N AZ6 3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile +c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl AZ7 (3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid +c1nc2c(nn1)NC(=O)NC2=O AZ8 pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +CN1C(=O)c2c(nncn2)NC1=O AZ9 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione +c12c([nH]nn1)NC(=O)NC2=O AZA 8-azaxanthine +CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O AZB 4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol +CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O AZC n-(acetylcarbamoyl)-beta-d-glucopyranosylamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZD 3'-azido-3'-deoxythymidine-5'-diphosphate +C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C AZE all-trans axerophthene +C1[C@H]([C@@H]([C@H](NN1)CO)O)O AZF azafagomine +c12c(nc(nc1O)N)nn[nH]2 AZG 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol +C(CN=[N+]=N)[C@@H](C(=O)O)N AZH azidohomoalanine +[N-]=[N+]=[N-] AZI azide ion +CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N AZJ ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate +C(CCN=[N+]=[N-])C[C@@H](CO)N AZK (s)-2-amino-6-azidohexanoic acid +CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN AZL 1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine +CC(=O)Nc1nnc(s1)S(=O)(=O)N AZM 5-acetamido-1,3,4-thiadiazole-2-sulfonamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O AZN alizarin red +CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC AZO methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate +CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O AZP (5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate +CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C AZQ azapropazone +C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O AZR 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid +C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-] AZS o-diazoacetyl-l-serine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-] AZT 3'-azido-3'-deoxythymidine-5'-triphosphate +CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O AZU 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate +CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N AZV n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine +c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O AZW 4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate +C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O AZX 4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide +c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O AZY 3-azido-l-tyrosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] AZZ 3'-azido-3'-deoxythymidine +CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3 B00 2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N B01 d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide +Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C B02 2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N B03 d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide +C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N B04 d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide +c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-] B05 n-[2-(benzyloxy)phenyl]-3-nitrobenzamide +c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F B06 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid +B(CNC(=O)c1c(cccc1OC)OC)(O)O B07 2,6 dimethoxybenzamidoboronic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B08 (1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid +CONS(=O)(=O)c1ccccc1 B09 n-methoxybenzenesulfonamide +c1ccc(cc1)OCC(=O)NC2CCCCC2 B0A ~{n}-cyclohexyl-2-phenoxy-ethanamide +CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C B0B (1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C B0C n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide +C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O B0D (2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol +c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O B0E 1,3-bis(oxidanyl)benzo[c]chromen-6-one +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7 B0F (4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide +c1ccc(cc1)COC(=O)N2CCC(CC2)O B0G (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate +Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C B0H ~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1cccc(c1)c2cccc(c2)C B0I 3,3'-dimethyl-1,1'-biphenyl +CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C B0J 4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol +c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine +C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O B0L 4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one +CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 B0M 1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone +Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO B0N [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol +C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C B0O (6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one +Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4 B0Q ~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F B0R 2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide +B(CCCCCCCCCCCCC)(O)O B0S tridecylboronic acid +CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O B0T (2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C(COCCOCCOCCN)C(=O)O B0U 3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid +Cc1cc(c(c(c1)C)NC(=O)COC)C B0V 2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O B0W 4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid +Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C B0X 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +CCc1ccc(s1)C(=O)NCc2cnn(c2)C B0Y 5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F B0Z (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5 B10 n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide +c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O B11 n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide +Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O B12 cobalamin +CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N B13 5-hydroxybenzimidazolylcob(iii)amide +c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N B14 1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine +c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N B15 [2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O B16 1,6-di-o-phosphono-beta-d-glucopyranose +c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B17 {1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper +C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C B18 (4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C B19 n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide +CC(=O)Nc1ccc(cc1)Nc2ccccc2 B1A ~{n}-(4-phenylazanylphenyl)ethanamide +CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl B1B (2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O B1C n-(tert-butoxycarbonyl)-l-tyrosine +Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N B1E 3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide +B([C@H](Cc1ccccc1)N)(O)O B1F phenylalanine boronic acid +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O B1H (1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol +c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4 B1I n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine +c1cc(ccc1n2cc(nn2)CO)Cl B1J [1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol +COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O B1K (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O B1L 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate +CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO B1M co-5-methoxybenzimidazolylcobamide +c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O B1N (1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol +Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C B1O 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O B1P 2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose +COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N B1Q (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B1R [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2 B1S (1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl B1T 2,2'-sulfanediylbis(4,6-dichlorophenol) +c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-] B1U 5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine +c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F B1V 2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol +c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N B1W (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N B1X 5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine +C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N B1Y (1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O B1Z adenosylcobalamin +c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N B2 (2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine +B1C=CC=CN1 B20 1,2-dihydro-1,2-azaborinine +COc1ccccc1c2ccc(o2)C(=O)O B21 5-(2-methoxyphenyl)-2-furoic acid +c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N B22 [2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper +c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-] B23 5-(2-nitrophenyl)-2-furoic acid +B1C=CC=CN1CC B24 1-ethyl-1,2-dihydro-1,2-azaborinine +[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N B25 5-nitro-1h-indole-2-carboximidamide +Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N B26 n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide +C[C@H]([C@@H](CS)N)O B27 (2r,3s) 3-amino-4-mercapto-2-butanol +c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O B28 (1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid +c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B29 [2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid +B([C@H](C)N)(O)O B2A alanine boronic acid +CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O B2B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O B2C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1 B2D 7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine +CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O B2E (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine +B([C@H](Cc1ccccc1)N)(O)O B2F phenylalanine boronic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O B2G galactobiose +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O B2H chromophore (thr, trp, gly) +B([C@H]([C@H](C)CC)N)(O)O B2I isoleucine boronic acid +CCSc1nc(nc(n1)N)C B2J 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine +Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C B2K 4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine +Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3 B2L 4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine +Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl B2M 6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide +C([C@@H](CN)C(=O)O)C(=O)N B2N (2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid +CC(C)(C(=O)O)Br B2P 2-bromo-2-methylpropanoic acid +CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC B2Q (2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine +Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C B2R 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate +CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO B2S (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one +CSc1nc(nc(n1)N)c2ccccc2Cl B2T 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl B2U n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine +B([C@H](C(C)C)N)(O)O B2V valine boronic acid +C1CN=C(C=CN1)C(F)(F)F B2W 5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine +CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4 B2X 4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)c2ccccc2CN B2Y 1-biphenyl-2-ylmethanamine +C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F B2Z (3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide) +c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N B30 {2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N B31 (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide +CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O B32 5'-s-[2-(decylamino)ethyl]-5'-thioadenosine +CCCNCCCNCCCNCC B33 n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine +CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O B34 (5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one +COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-] B35 4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6 B36 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline +Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6 B37 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline +Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5 B38 1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one +c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N B39 [(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate +C[C@@H](CC(=O)O)N B3A (3s)-3-aminobutanoic acid +c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O B3B 2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde +Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O B3C benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate +C(C(CC(=O)O)N)C(=O)O B3D 3-aminopentanedioic acid +C(CC(=O)O)[C@@H](CC(=O)O)N B3E (3s)-3-aminohexanedioic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl B3G (1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC B3H (2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate +c1c(cc(c(c1C(=O)O)I)I)I B3I 2,3,5-triiodobenzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3 B3J (1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(CCN)C[C@@H](CC(=O)O)N B3K (3s)-3,7-diaminoheptanoic acid +CC(C)C[C@@H](CC(=O)O)N B3L (3s)-3-amino-5-methylhexanoic acid +CSCC[C@@H](CC(=O)O)N B3M (3r)-3-amino-5-(methylsulfanyl)pentanoic acid +CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO B3N 4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide +C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 B3O (1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione +C(CNC(CO)(CO)CO)CNC(CO)(CO)CO B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol +C(CC(=O)N)[C@@H](CC(=O)O)N B3Q (3s)-3,6-diamino-6-oxohexanoic acid +c1cc(cc(c1)Br)O B3R 3-bromophenol +C([C@H](CO)N)C(=O)O B3S (3r)-3-amino-4-hydroxybutanoic acid +C[C@H]([C@@H](CC(=O)O)N)O B3T 3-amino-2,3,5-trideoxy-d-threo-pentonic acid +c1c([nH]c(n1)N)C[C@@H](C(=O)O)N B3U 2-amino-l-histidine +CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC B3V n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide +CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl B3W 4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide +C([C@@H](CC(=O)O)N)C(=O)N B3X (3s)-3,5-diamino-5-oxopentanoic acid +c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y (3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid +CCN(CC)CCNS(=O)(=O)c1ccccc1F B3Z n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide +C[C@@H](Cc1ccccc1)NC B40 (2s)-n-methyl-1-phenylpropan-2-amine +C[C@@H](Cc1ccc2c(c1)OCO2)NC B41 (2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine +CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C B42 n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 B43 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O B44 n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) +CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F B45 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one +C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4 B46 prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate +COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O B47 methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate +Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC B48 4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole +CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C B49 n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide +c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5 B4A 2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4 B4C benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate +C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl B4D (3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3 B4E cyclical inhibitor od36 +c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O B4F biotin-4-fluorescein +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O B4G galactotriose +C=NC(=O)c1cccc(c1)[N+](=O)[O-] B4H n-methylidene-3-nitrobenzamide +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1 B4J 3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide +CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O B4K ~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide +CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C B4L 3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C(Br)(Br)Br B4M tris(bromanyl)methane +c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] B4N bis(4-nitrophenyl) hydrogen phosphate +CC1=CC(=O)N(C(=C1)C2CCCCC2)O B4O 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B4P bis(adenosine)-5'-tetraphosphate +CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3 B4Q 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O B4R {4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N B4S 3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4T mono-pegylated sulfonatocalix[4]arene +Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C B4V 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide +c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4 B4W 2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O B4X di-pegylated sulfonatocalix[4]arene +CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B4Y (2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3 B4Z ~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide +CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4 B50 4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 B51 nickel/iron/sulfur cluster +C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O B52 (2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +C1(=C(N=C(NC1=O)N)N)N=O B53 2,6-diamino-5-nitrosopyrimidin-4(3h)-one +c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O B54 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid +c12c([nH]c(n1)S)N=C(NC2=O)N B55 2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one +CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O B56 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid +C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-] B57 2,6-diamino-5-nitropyrimidin-4(3h)-one +c1[nH]c2c(n1)c(nnc2N)N B58 1h-imidazo[4,5-d]pyridazine-4,7-diamine +CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O B59 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde +c1c2c(ncnc2n(n1)CC3CCNCC3)N B5A 1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3 B5B 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole +CC(=O)Oc1ccc2c(c1)SC(=O)O2 B5C 2-oxo-2h-1,3-benzoxathiol-5-yl acetate +C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl B5D (3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3 B5E 2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine +c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B5F biphenyl 2,3',4,5',6-pentakisphosphate +CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1 B5G (2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide +c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2 B5H (5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione +C[P+](c1ccccc1)(c2ccccc2)c3ccccc3 B5J methyltriphenylphosphonium +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O B5K 3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid +C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+] B5L n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium +Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5M 9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F B5N [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1 B5O (6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O B5P n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 B5Q [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B5R (2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3 B5S 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium +c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N B5T 4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide +Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C B5U 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide +c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5V 9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3 B5W (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium +CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1 B5X (6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one +Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O B5Y 9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5 B5Z ~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide +CN1CC=NC2=C1N=C(NC2=O)N B60 2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one +CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O B61 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one +C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N B62 (6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one +c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N B63 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid +COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O B64 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid +c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O B65 (1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid +C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O B66 4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile +C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B67 (2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide +CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O B68 (2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B69 tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate +c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4 B6A [2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone +COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N B6B [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone +Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl B6C 2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C B6D 2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose +c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F B6E ~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2 B6F [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron +CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N B6G (2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate +CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N B6H ~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O B6J 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol +c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O B6K biphenyl 3,3',4,4',5,5'-hexakisphosphate +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O B6L 2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide +C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N B6M (1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside +c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F B6N 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one +CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6O 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N B6P p1,p6-di(adenosine-5') hexaphosphate +CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N B6Q ~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide +COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F B6R 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc2c(cc1S(=O)(=O)O)scn2 B6S 1,3-benzothiazole-6-sulfonic acid +CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O B6T 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O B6U 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl B6W 2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide +CCCCCC[C@H](CC(=O)O)SCC(=O)O B6X (3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O B6Y (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N B6Z [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone +c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K] B70 tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate +CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B71 3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium +Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O B72 {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid +CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O B73 3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium +Cc1cccc(c1)CO B74 (3-methylphenyl)methanol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O B75 1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid +c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O B76 [1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid) +Cc1ccc(c(c1)OCc2ccccn2)OC B77 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine +Cc1ccc(cc1OCc2ccncc2)OC B78 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine +CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5 B79 (8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7A 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) +CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N B7B 4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide +C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O B7C 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl B7D (3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5 B7E compound 28 +C(C(C(C(F)(F)F)(F)F)(F)F)O B7F 2,2,3,3,4,4,4-heptafluorobutan-1-ol +CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O B7G heptyl beta-d-glucopyranoside +Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N B7H 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile +c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4 B7I 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole) +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7J 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) +CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C B7K 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4 B7L 2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid +CCC\C=C/C=C/CCCCCCCCC=O B7M (10e,12z)-hexadeca-10,12-dienal +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC B7N (1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4 B7O ~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O B7P 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl B7Q 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1c(cc2c(c1O)C(=O)C=CO2)O B7S 5,7-dihydroxy-4h-1-benzopyran-4-one +Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC B7T (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine +C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2 B7U (2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide +COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N B7V 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4 B7W 3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O B7X (3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) +CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 B7Z 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O B80 n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C B81 (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol +CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O B82 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid +C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C B83 2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC B84 (2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide +c1ccc(cc1)CP(=O)(O)O B85 benzylphosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O B86 2'-deoxy-5-fluorocytidine +c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5 B87 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine +C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O B88 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid +CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O B89 (5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one +B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N B8B cobaltcarborane +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O B8C (~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO B8D 4-o-methyl-alpha-d-glucopyranose +Cc1c(nc(s1)c2ccccc2)CC(=O)OC B8E methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate +C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O B8F (5beta)-3-oxours-12-en-28-oic acid +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8H [(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7 B8J 1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8K 7-acetyl, guanosine-5'-monophosphate +CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC B8L 3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate +CCCCC\C=C/C=C/CCCCCCCO B8M (8e,10z)-hexadeca-8,10-dien-1-ol +CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8N (2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5 B8O 2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O B8P 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N B8Q 3-methyl, cytidine-5'-monophosphate +CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N B8R (2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8S n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O B8T 4-methyl, cytidine-5'-monophosphate +COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O B8V (2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B8W 6-methyl, guanosine-5'-monophosphate +CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO B8X 2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl B8Y n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide +Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2 B90 n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine +Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F B91 3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4 B92 (3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5 B93 (3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl B94 (3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid +c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br B95 n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5 B96 1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea +Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C B97 (10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one +COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN B98 (3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N B99 (2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine +c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O B9A macrocyclic-bis-9-amino-acridine +CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O B9B 6-propyl, guanosine-5'-monophosphate +CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5 B9C n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide +C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O B9D 5-fluoro-alpha-l-idopyranose +C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2 B9F [(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron +CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N B9H 2'-methyl, 3-propyl, cytidine-5'-monophosphate +Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 B9K 4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO B9L n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide +CCCC#C\C=C\CCCCCCCCCO B9M (10e)-hexadec-10-en-12-yn-1-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O B9N (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC B9O n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 B9P 1-biotinylpyrene +C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5 B9Q ~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC B9R n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide +CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C B9S (2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol +C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F B9T ~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O B9U (2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide +CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F B9W 2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide +CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N B9X [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate +c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F B9Y 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one +COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O B9Z (2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid +[Ba+2] BA barium ion +CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5 BA0 (7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O BA1 balanol +CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O BA2 5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N BA3 bis(adenosine)-5'-triphosphate +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O BA4 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +COC(=O)C1=C(c2cccnc2N(C1=O)O)N BA5 methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate +C(CC[C@@H](CO)O)CCO BA6 (2s)-heptane-1,2,7-triol +c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O BA7 [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate +c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl BA8 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol +CC(C)(O)O BA9 propane-2,2-diol +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C BAA (tert-butyloxycarbonyl)-alanyl-alanyl-amine +c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N BAB bis(5-amidino-benzimidazolyl)methane +c1cc(ccc1CNC=O)I BAC n-(4-iodo-benzyl)-formamide +CC(C)(C)C(=O)NC BAE n-methyltrimethylacetamide +C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C BAF (tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide +c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N BAG n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O BAH bis(5-amidino-2-benzimidazolyl)methane ketone hydrate +c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N BAI (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane +CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C BAJ 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine +c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N BAK bis(5-amidino-2-benzimidazolyl)methane ketone +C(CN)C(=O)O BAL beta-alanine +c1ccc(cc1)C(=[NH2+])N BAM benzamidine +C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO BAN honh-benzylmalonyl-l-alanylglycine-p-nitroanilide +c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N BAO bis(5-amidino-2-benzimidazolyl)methanone +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BAP 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene +C1CC(=O)NC1 BAQ pyrrolidin-2-one +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O BAR 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC[C@H](c1ccccc1)NC=O BAS n-(1-phenyl-propyl)-formamide +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC BAT 4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide +c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO BAU 1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C BAV (3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F BAW 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl BAX 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C BAY n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide +[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N BAZ bis(5-amidino-benzimidazolyl)methane zinc +CC(=O)c1ccc2cc(ccc2c1)N(C)C BB0 1-[6-(dimethylamino)naphthalen-2-yl]ethanone +CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C BB1 2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide +CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO BB2 actinonin +CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br BB3 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide +c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO BB4 2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide +C/C(=C(\C(=O)O)/N)/S BB6 (2z)-2-amino-3-sulfanylbut-2-enoic acid +COC/C(=C(\C(=O)O)/N)/S BB7 (2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid +c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O BB8 (2s,3s)-beta-hydroxy-phenylalanine +C(=C(\C(=O)O)/N)/S BB9 (2z)-2-amino-3-sulfanylprop-2-enoic acid +c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N BBA 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one +c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O BBB 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione +[H]/N=C(\CO)/C[S@@](=O)CCCCN BBC 3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol +Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N BBE n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide +c1(c(c(c(c(c1F)F)Br)F)F)F BBF 1-bromo-2,3,4,5,6-pentafluorobenzene +COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3 BBH 1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide +CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I BBI (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone +c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F BBJ n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O BBK 2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose +C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 BBL n-[(benzyloxy)carbonyl]-l-alanine +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O BBM 5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide +B1(c2ccccc2C=NN1C(=O)N)O BBN 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4 BBO 2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl BBP (5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol +B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O BBQ cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C(C(=O)CBr)OP(=O)(O)O BBR (3-bromo-2-oxo-propoxy)phosphonic acid +CC(C)(C)c1ccc(cc1)S(=O)(=O)O BBS 4-tert-butylbenzenesulfonic acid +c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO BBT 2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione +CCCCBr BBU 1-bromobutane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O BBV benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside +Cc1ccc2c(c1)ncnc2N BBW 7-methylquinazolin-4-amine +CCBr BBX 1-bromoethane +Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3 BBY 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine +CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C BBZ 2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O BC benzo[g]chrysene +CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1 BC0 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine +CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O BC1 3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC BC2 macbecin +c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N BC3 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BC4 (3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N BC5 4'-aminobiphenyl-4-sulfonamide +C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C BC6 (4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate +CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1 BC7 2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone +C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O BC8 beta-citryl-l-glutamic acid +C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C BC9 (1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O BCA 4-hydroxybenzoyl coenzyme a +C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C BCB bacteriochlorophyll b +c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N BCC (3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O BCD beta-cyclodextrin +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O BCE (2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide +c1(c(c(c(c(c1F)F)Cl)F)F)F BCF 1-chloro-2,3,4,5,6-pentafluorobenzene +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O BCG 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid +CCCC(=O)SCC[N+](C)(C)C BCH 2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium +CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C BCJ (4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one +Cn1c(c(cn1)CO)c2ccccc2 BCK (1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol +CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BCL bacteriochlorophyll a +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O BCM bicyclomycin +C(CO)N(CCO)CC(=O)O BCN bicine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O BCO butyryl coenzyme a +c1[nH]c2c(n1)nc(nc2Cl)Br BCP 2-bromo-6-chloro-purine +CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 BCQ n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C BCR beta-carotene +c1ccc(cc1)CSC[C@@H](C(=O)O)N BCS benzylcysteine +C(=O)(O)[O-] BCT bicarbonate ion +c1ccc2c(c1)C[C@@H](CO2)CO BCU (3r)-3,4-dihydro-2h-chromen-3-ylmethanol +C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N BCV d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O BCW 6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-d-glucopyranose +C([C@H](CS)N)C(=O)O BCX (3r)-3-amino-4-sulfanylbutanoic acid +C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N BCY carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one +CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C BCZ 3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid +c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl BD0 (1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium +C1C=CC[C@@H]2[C@H]1OC(O2)O BD1 3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one +c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O BD2 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate +[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C BD3 nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide +Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C BD4 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4 BD5 n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5 BD6 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4 BD7 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD8 n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4 BD9 n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O BDA 4-methylbenzyl-n-bis[daunomycin] +B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O BDB 4,4'-biphenyldiboronic acid +CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C BDC bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide +C(CCCCCCBr)CCCCCO BDD bromo-dodecanol +c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br BDE n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide +C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O BDF beta-d-fructopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N BDG 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N BDH l-beta-aspartylhistidine +CCCCc1[nH]c2c(n1)C(=O)NNC2=O BDI 2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione +[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C BDJ (2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one +CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3 BDK 2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide +CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2 BDL n-(biphenyl-4-ylsulfonyl)-d-leucine +COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N BDM brodimoprim-4,6-dicarboxylate +c1ccc(cc1)C(=N)N BDN benzamidine +[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C BDO (2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O BDP beta-d-glucopyranuronic acid +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C BDQ 1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O BDR beta-d-ribofuranose +c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2 BDS 2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid +C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C BDT 5-beta-dihydrotestosterone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O BDU me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C BDV 1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea +[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5 BDW (4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one +[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3 BDX (2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one +c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl BDY n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O BDZ 6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-d-glucopyranose +C1CCN(CC1)S(=O)(=O)N BE0 piperidine-1-sulfonamide +CC(=O)N(CCOP(=O)(O)O)Br BE1 n-bromoacetyl-aminoethyl phosphate +c1ccc(c(c1)C(=O)O)N BE2 2-aminobenzoic acid +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O BE3 n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O BE4 (2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O BE5 (2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O BE6 (2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide +c1cc(ccc1C(=O)O)[Hg]Cl BE7 (4-carboxyphenyl)(chloro)mercury +B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O BE8 [(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid +c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2 BE9 phenyl n-sulfamoylmorpholine-4-carboximidoate +Cc1cccc2c1n3cn[nH+]c3s2 BEA 5-methyl-1,2,4-triazolo[3,4-b]benzothiazole +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEB n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4 BEC [5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O BED n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4 BEE n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +[Be-](F)(F)F BEF beryllium trifluoride ion +c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BEG 2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide] +c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5 BEH 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide +CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2 BEI n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane] +CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4 BEJ n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] +COc1c(c(c(c(c1F)F)C(=O)N)F)F BEK 2,3,5,6-tetrafluoro-4-methoxy-benzamide +c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O BEL 2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide +[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O BEM beta-d-mannopyranuronic acid +[H]/N=C(\c1ccccc1)/N BEN benzamidine +CC=CC(=O)O BEO butenoic acid +CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3 BEP 1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] BEQ n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt +COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5 BER berberine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O BES 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid +C[N+](C)(C)CC(=O)O BET trimethyl glycine +CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N BEU n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide +C1CS/C(=N\S(=O)(=O)N)/N1 BEV n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide +c1cc[n+](c(c1)S)O BEW 1-hydroxy-2-sulfanylpyridinium +COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2 BEX n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide +c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O BEY (2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid +c1ccc(cc1)C(=O)O BEZ benzoic acid +COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O BF0 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate +[Be](F)F BF2 beryllium difluoride +c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O BF3 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +[Be-2](F)(F)(F)F BF4 beryllium tetrafluoride ion +C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-] BF5 (3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate +c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O BF6 [(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1C[C@H](C(=O)O)N)Br BF7 4-bromo-d-phenylalanine +O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51 BF8 fe(4)-ni(1)-s(5) cluster with oxygen +C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O BF9 [(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br BFA 9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide +[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1 BFB n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide +CCCCCCCCCCC[C@H](CC=O)O BFC (r)-3-hydroxytetradecanal +[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F BFD aspartate beryllium trifluoride +c1ccc(cc1)C(=O)NCCS BFE n-(2-sulfanylethyl)benzamide +c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br BFF 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide +c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2 BFG 3,3-diphenyl-n-(2-sulfanylethyl)propanamide +c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O BFH 1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br BFI 2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone +Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C BFK [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol +C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O BFL 2-(1,1'-biphenyl-4-yl)propanoic acid +C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O BFM 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O BFN 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O BFO benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O BFP beta fructose 1,6-diphosphate +CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O BFQ ibandronate +[H]/N=C(\NCCCC)/N=C(N)N BFR n-butyl-n'-(diaminomethylidene)guanidine +C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F BFS n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide +Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2 BFT s-benzoylthiamine o-monophosphate +CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F BFU 1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1 BFV n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +c1cc(oc1)CNC2=CC=NC(=O)N2 BFW 4-n-furfurylcytosine +c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl BFX 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br BFZ 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one +COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N BG0 (4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile +CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC BG1 o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O BG2 8-bromoguanosine +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O BG3 3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O BG4 5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid +C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO BG5 5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BG6 6-o-phosphono-beta-d-glucopyranose +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C BG7 n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide +c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O BG8 2-(benzoylamino)-2-deoxy-beta-d-glucopyranose +c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O BG9 (2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid) +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O BGC beta-d-glucopyranose +c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N BGD n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide +Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 BGE 4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N BGF 2,5-bis(4-guanylphenyl)furan +c1ccc(cc1)COC(=O)O BGG carbonic acid monobenzyl ester +CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC BGH [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1 BGJ 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine +c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O BGK 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde +CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGL 2-o-octyl-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O BGM 8-bromo-2'-deoxyguanosine-5'-monophosphate +CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BGN 2-(butanoylamino)-2-deoxy-beta-d-glucopyranose +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O BGO 3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O BGP 6-o-phosphono-beta-d-galactopyranose +C(CO)[C@H](C[O])O BGQ 2-hydroxy butane-1,4-diol +[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O BGR [[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide +CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BGS (1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol +CC(C)(C)OC(=O)[C@H](CCC(=O)N)N BGT tert-butyl d-alpha-glutaminate +c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N BGU 2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 BGV (3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate +c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O BGW 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid +C[C@@H]1C=CN[C@H]1C(=O)O BGX 4-methyl-pyrroline-5-carboxylic acid +CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2 BGY tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O BGZ [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O BH0 3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile +CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C BH1 bacteriopheophytin +[C@H]([C@H](C(=O)O)O)(C(=O)O)N BH2 (3r)-3-hydroxy-l-aspartic acid +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-] BH3 hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BH4 (6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin +CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-] BH5 hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +B(CNC(=O)c1ccccc1Cl)(O)O BH6 {[(2-chlorobenzoyl)amino]methyl}boronic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 BH7 e-amino biotinyl caproic acid +CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-] BH8 hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4 BH9 4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +c1cc(c(cc1N)O)C(=O)O BHA 2-hydroxy-4-aminobenzoic acid +CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N BHB 2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one +c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O BHC benzene hexacarboxylic acid +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N BHD (3s)-3-hydroxy-l-aspartic acid +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O BHE octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside +c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2 BHF 2-phenyl-4h-benzo[h]chromen-4-one +CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O BHG hexyl beta-d-galactopyranoside +CCCCNC(=N)NO BHH n-butyl-n'-hydroxyguanidine +C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O BHI 4-bromo-3-hydroxy-3-methyl butyl diphosphate +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1 BHJ {(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O BHK (2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid +C(CCCBr)CCO BHL 6-bromohexan-1-ol +C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O BHM (r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O BHN 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +c1ccc(cc1)C(=O)NO BHO benzhydroxamic acid +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3 BHP (s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid +CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O BHQ 2,5-ditert-butylbenzene-1,4-diol +c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O BHR 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid +C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O BHS 6s-5,6,7,8-tetrahydrobiopterin +c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O BHT n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium +B(CNC(=O)[C@H](C)CS)(O)O BHU [[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid +CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C BHV tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O BHW coumermycin a1 +C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O BHX (2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid +C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C BHY n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide +c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O BHZ 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid +CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5 BI1 3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI2 3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI3 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione +C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 BI4 3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione +c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3 BI5 4-phenoxy-n-(pyridin-2-ylmethyl)benzamide +CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C BI6 (3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl BI7 3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN BI8 3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl BI9 2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide +c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F BIA 1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one +C[C@@H](CN)C(=O)[O-] BIB beta-amino isobutyrate +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N BIC 3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one +C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C BID bistramide a +c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O BIE (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N BIF (r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid +CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N BIG (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol +c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O BIH naphthalene-2,6-disulfonic acid +CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl BII 2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide +CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl BIJ 7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one +c1cc(cc2c1cc(c(c2)C(=O)O)O)O BIK 3,7-dihydroxy-2-naphthoic acid +CC[C@H](C)[C@@H](CC(=O)O)N BIL (3r,4s)-3-amino-4-methylhexanoic acid +CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O BIM bis-(indole)maleimide pyridinophane +CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C BIN 2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium +C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O BIO biopterin +c1ccc(cc1)C[C@@H](CI)C(=O)O BIP 2-benzyl-3-iodopropanoic acid +CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4 BIQ benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O BIR n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N BIS 1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester +Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BIT (-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one +C[C@@H](CCBr)[C@@H](C(=O)O)N BIU 5-bromo-l-isoleucine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O BIV 21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e) +c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O BIW 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid +C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O BIX (2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid +CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C BIY (3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C BIZ bizelesin +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O BJ1 (1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O BJ2 (2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid +Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2 BJ4 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN BJ5 desferrioxamine b +S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 BJ8 double cubane cluster +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N BJA (2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide +c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2 BJB 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid +CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O BJC (1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJD n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine +C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O BJE 2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil +CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O BJF {2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl BJG 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide +B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O BJH 1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O BJI 1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid +CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1 BJJ n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine +COc1ccc(cc1O)C[NH3+] BJK (4-methoxy-3-oxidanyl-phenyl)methylazanium +CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O BJL n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine +C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N BJM (2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone +c1cc(cnc1)CC[NH3+] BJN 2-pyridin-3-ylethylazanium +C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O BJO (4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O BJP (1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid +COC(=O)[C@H](Cc1ccccc1)[NH3+] BJQ [(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium +C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N BJS 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide +COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C BJV n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8 BJW 4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid +CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 BJX repaglinide +CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1 BJY 5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium +CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl BJZ 6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid +CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N BK1 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N BK2 1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N BK3 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N BK4 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N BK5 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK6 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N BK7 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5 BK8 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine +CCOc1c2ccccc2ncn1 BK9 4-ethoxyquinazoline +CCCCC(=O)CC(=O)O BKA 3-oxoheptanoic acid +C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O BKC bongkrekic acid +CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1 BKD 1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one +COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4 BKE 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O BKF (1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate +c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl BKH (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br BKI 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1 BKJ 1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O BKK (2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O BKL (1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione +CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C BKM (2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CCOC(=O)CCCC(=O)C BKN ethyl 5-oxohexanoate +c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O BKO 1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N BKP 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)CCC(=O)C BKQ ethyl levulinate +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O BKR deacetyltaxol +c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl BKS 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O BKU (1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name) +c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br BKV 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O BKW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O BKX (1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) +c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O BKY 4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid +CC(=O)CCc1ccc(cc1)O BKZ 4-(4-hydroxyphenyl)butan-2-one +CN(C)c1nnc(s1)CS(=O)(=O)N BL0 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide +C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl BL1 4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide +CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C BL2 n-(tert-butoxycarbonyl)-l-leucine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL3 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O BL4 (3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2 BL5 2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide +Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O BL6 (3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O BL7 (3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BL8 3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLA biliverdine ix alpha +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O BLB bleomycin b2 +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O BLD brassinolide +B([C@H](CC(C)C)N)(O)O BLE leucine boronic acid +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl BLF 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BLG 4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine +c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N BLI 4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide +C[As](=O)(CC[C@@H](C(=O)O)N)O BLJ (2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N BLK [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate +c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O BLL (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O BLM bleomycin a2 +CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2 BLN morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N BLO 1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O BLP (5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate +c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O BLQ (3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O BLR 3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N BLS blasticidin s +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O BLT 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C BLV biliverdin ix gamma chromophore +B([C@H](CCCC[NH3+])N)(O)O BLY lysine boronic acid +C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC BLZ 5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide +CCCCn1cc[n+](c1)C BM0 1-butyl-3-methyl-1h-imidazol-3-ium +Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3 BM1 (r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one +c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N BM2 s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O BM3 2-acetamido-2-deoxy-alpha-d-mannopyranose +CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O BM4 3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol +COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4 BM5 (r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester +CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C BM6 4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O BM7 2-acetamido-2-deoxy-beta-d-mannopyranose +Cc1cc(ccc1N)c2nc3ccccc3s2 BM8 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline +[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3 BM9 [s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O BMA beta-d-mannopyranose +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC BMB (3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O BMC 3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CCCC(=O)N BMD butyramide +C(CS)O BME beta-mercaptoethanol +CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C BMF bromosporine +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O BMG (4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate +C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O BMH 5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))- +Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5 BMI 3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one +CC[C@@H](C)CCCCCCCCCCC(=O)O BMJ (12r)-12-methyltetradecanoic acid +C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4 BMK (5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene +c1cc(ccc1O)Br BML 4-bromophenol +CBr BMM bromomethane +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O BMN (1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol +c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6 BMO n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O BMP 6-hydroxyuridine-5'-phosphate +C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O BMQ 1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid +COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O BMR ((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C BMS 4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid +C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O BMT 4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl BMU 1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea +c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5 BMV 3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile +c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6 BMW 3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O BMX 2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O BMZ 2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine +Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N BN1 (s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid +c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl BN2 7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid +c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN3 4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid +Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C BN4 4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid +Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl BN5 5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O BN6 (2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid +CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 BN7 2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O BNA bis-(naphthyl-1-methyl) acetic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C BNB n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide +CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C BNC 5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O BND methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N BNE 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile +c1ccc(cc1)CNC=O BNF n-benzylformamide +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BNG nonyl beta-d-glucopyranoside +CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O BNH [(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-] BNI 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide +c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 BNJ n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl BNK 2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)c2ccccc2 BNL biphenyl +c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4 BNM n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide +[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N BNN acetyl-p-amidinophenylalanine +B([C@H](CCCC)N)(O)O BNO norleucine boronic acid +c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4 BNP (3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine +c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4 BNQ ~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C BNR bis-daunorubicin +c1ccc(cc1)S(=O)(=O)O BNS benzenesulfonic acid +CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br BNT 2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone +CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O BNU 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid +CC[C@H](C)CCCCCCCCCCC(=O)O BNV (12s)-12-methyltetradecanoic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C BNW udp-n-acetyl-muramic acid-4'phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O BNX 2-o-phosphono-beta-d-glucopyranose +Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O BNY 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid +c1ccccc1 BNZ benzene +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO BO0 (1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol +c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N BO1 n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine +B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O BO2 n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide +B(O)(O)O BO3 boric acid +[B-](O)(O)(O)O BO4 borate ion +CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O BO5 (9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione +C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C BO6 3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole +COc1cccc(c1C(=O)O)OC BO7 2,6-dimethoxybenzoic acid +[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O BO8 (d-alpha-aminopimelylamino)-d-1-ethylboronic acid +B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O BO9 n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide +c1[nH]c2c(n1)nc(nc2O)Br BOA 2-bromo-6-hydroxy-purine +CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O BOB (s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid +CC(C)(C)OC(=O)O BOC tert-butyl hydrogen carbonate +COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N BOD 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3 BOE 2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate +Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C BOF (3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BOG octyl beta-d-glucopyranoside +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N BOH (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide +CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BOI [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3 BOJ 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)c2ccccc2I BOL 2-iodo-n-phenylbenzamide +CCC\C=C/C=C/CCCCCCCCCO BOM hexadeca-10,12-dien-1-ol +B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N BON n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide +COc1ccc(cc1)Br BOP 1-bromo-4-methoxybenzene +CCOC(=O)c1cc(oc1CN)C(C)(C)C BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate +B([C@H](CCCNC(=N)N)N)(O)O BOR (1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid +c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S BOS n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide +c1ccc2c(c1)ncs2 BOT benzothiazole +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C BOU (2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCCCCCCOS(=O)(=O)N BOW octyl sulfamate +c1ccc(cc1)C(=O)O BOX benzoic acid +Cc1ccc(cc1)[C@H](O)P(=O)(O)O BOY [(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid +c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N BOZ bis(5-amidino-benzimidazolyl)methanone zinc +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BP (-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C(CSCCc1nnc(s1)N)c2nnc(s2)N BP0 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine) +c1[nH]c2c(n1)ncnc2Br BP1 6-bromo-7h-purine +CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C BP2 (+)-bornyl diphosphate +c1ccc(c(c1)c2cccc(c2O)O)Cl BP3 2'-chloro-biphenyl-2,3-diol +c1ccc(cc1)c2ccc(cc2)CC(=O)O BP4 biphenyl-4-ylacetic acid +c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N BP5 3-(2,2'-bipyridin-5-yl)-l-alanine +c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl BP6 2',6'-dichloro-biphenyl-2,6-diol +c1ccc(cc1)c2ccc(c(c2)O)O BP7 1,1'-biphenyl-3,4-diol +C(CCc1nnc(s1)N)CCc2nnc(s2)N BP8 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine) +C(CCc1nnc(s1)N)Cc2nnc(s2)N BP9 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine) +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O BPA 7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene +C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPB bacteriopheophytin b +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O BPC (7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol +c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F BPD n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid +C(CN)CSC[C@@H](CO)N BPE (2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol +CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N BPF n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium +c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 BPG 9-(4-hydroxybutyl)-n2-phenylguanine +CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C BPH bacteriopheophytin a +c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O BPI (1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O BPJ (1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol +Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO BPK {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol +CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5 BPL 1-benzo[a]pyren-6-yl-3-methyl-urea +c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O BPM 4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen +c1cc(ccc1CO)[N+](=O)[O-] BPN paranitrobenzyl alcohol +[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N BPO 3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide +[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N BPP 2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide +CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N BPQ tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate +B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O BPR (2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide +c1ccc(cc1)c2ccccc2[S@](=O)O BPS 1,1'-biphenyl-2-sulfinic acid +C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl BPT bis(trans-platinum ethylenediamine diamine chloro)complex +c1cc2n(c1)-c3ccc(cc3NC2=O)Br BPU 7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one +C(C(=O)C(=O)O)Br BPV bromopyruvate +c1cc(ccc1CCCN)Cl BPW 3-(4-chlorophenyl)propan-1-amine +c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O BPX (2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid +c1ccc(cc1)c2cccc(c2O)O BPY biphenyl-2,3-diol +c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O BPZ 4,4'-cyclohexane-1,1-diyldiphenol +Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6 BQ0 (3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O BQ1 bedaquiline +c1ccc2c(c1)CCN(C2)C(=O)CO BQ2 1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone +CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N BQ3 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate +c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O BQ4 (2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid +c1ccc(cc1)n2c3c(c(n2)CN)CCC3 BQ5 (1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine +Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N BQ6 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N BQ7 (3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C BQ8 (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC BQ9 (2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate +c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F BQA n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine +c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-] BQB 5-(4-nitrophenylazo)-3-iodosalicylic acid +c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5 BQC 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione +CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O BQD (3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide +CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N BQE (~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide +c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2 BQF 4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid +CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2 BQH (2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C BQJ 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O BQK (2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O BQL [(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N BQM 3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline +c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 BQN 4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine +C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O BQO [(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F BQP 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N BQQ (2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC BQR n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide +CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6 BQS 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one +C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N BQT (2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide +c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N BQU 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid +CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2 BQV n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide +[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C BQW (2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N BQX 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea +COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O BQY 2-methoxyphenyl beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O BQZ galactinol +[Br-] BR bromide ion +c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-] BR0 (3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid +c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O BR1 (1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol +COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F BR2 2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide +Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-] BR3 (6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate +c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O BR4 6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid +CCOCC[P@H](=O)[O-] BR5 2-ethoxyethylphosphinate +[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N BR6 (e)-4-((4-bromophenylimino)methyl)benzimidamide +C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C BR7 bromomemantine +C1C(=O)NC(=O)NC1=O BR8 barbituric acid +c1c(cnc(c1N)N)Br BR9 5-bromopyridine-2,3-diamine +CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6 BRA 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine +c1cc(ccc1CO)Br BRB para-bromobenzyl alcohol +C(CCCCCC(=O)O)CCCCCBr BRC 12-bromododecanoic acid +C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O BRD 1-beta-ribofuranosyl-1,3-diazepinone +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O BRE 2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O BRF 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid +c12c(nc([nH]1)Br)N=C(NC2=O)N BRG 8-bromoguanine +C(c1c(c(no1)O)Br)C(C(=O)O)N BRH (s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid +C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC BRI (o4)-methyl-2-deoxyfucose +C(CBr)O BRJ 2-bromoethanol +COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N BRK {(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone +CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3 BRL 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl) +C(C(=O)O)Br BRM 2-bromoacetyl group +c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N BRN berenil +[Br-] BRO bromo group +C=C(CO)Br BRP 2-bromo-2-propene-1-ol +c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N BRQ {[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone +CCCC[C@H](CN(C=O)O)C(=O)O BRR (2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid +C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-] BRS 2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol +c1c(cncc1Br)C(=O)N BRT 5-bromonicotinamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O BRU 5-bromo-2'-deoxyuridine-5'-monophosphate +c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O BRV 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid +c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2 BRW 6-bromoindirubin-3'-oxime +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-] BRX bromamphenicol +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2 BRY (2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate +CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O BRZ 6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one +c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4 BS0 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one +C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C BS1 (3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane +c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6 BS2 (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane +[Bi+3] BS3 bismuth(iii) ion +c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N BS4 n-[(4-aminophenyl)sulfonyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BS5 5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine +CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C BS6 2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide +c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O BS7 8-hydroxyquinoline beta-galactopyranoside +c1cncc(c1c2ccnc3c2[nH]c(n3)N)F BS8 7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine +c1ccc(cc1)C(=O)NCCS(=O)(=O)O BSA 2-(benzoylamino)ethanesulfonic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N BSB n-benzyl-4-sulfamoyl-benzamide +CCCCS(=N)(=O)CC[C@@H](C(=O)O)N BSC (2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O BSD n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +C([C@@H](CO)C(=O)O)N BSE beta-3-serine +B(CNS(=O)(=O)Cc1ccccc1)(O)O BSF {[(benzylsulfonyl)amino]methyl}boronic acid +B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O BSG 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid +B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O BSH 3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O BSI 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O BSJ (3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC BSM 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2 BSO biotin-d-sulfoxide +c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O BSP 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion +CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N BST 6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid +c1ccc(cc1)NC(=O)Nc2ccccc2 BSU 1,3-diphenylurea +Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2 BSV (2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1c[nH]c2c1c(ccn2)c3ccncc3F BSW 4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(c(c1)CCN)F BSX 2-(2-fluorophenyl)ethanamine +O[Se](=O)[O-] BSY biselenite ion +COc1ccc(cc1Cl)S(=O)(=O)O BSZ 3-chloro-4-methoxybenzenesulfonic acid +CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC BT0 2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6 BT1 {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone +c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6 BT2 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene +c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6 BT3 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BT5 biotinyl-5-amp +c1ccc(cc1)S BT6 benzenethiol +CCC(CC)n1cc(cn1)[C@@H](C(F)F)O BT7 (1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol +CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C BT8 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole +c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O BT9 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid +CCC[C@@H](C(=O)O)N BTA 4-demethyl-leucine +C(CO)N(CCO)C(CO)(CO)CO BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol +C([C@@H](C(=O)O)N)S BTC cysteine +c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br BTD 5-bromothienyldeoxyuridine +c1cc(c2c(c1)nsn2)N BTE 2,1,3-benzothiadiazol-4-amine +CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 BTF iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O BTG ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside +CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4 BTH 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2 BTI 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal +C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O BTJ n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide +CCCC(=O)NCCCC[C@@H](C(=O)O)N BTK n~6~-butanoyl-l-lysine +C[N+](C)(C)CC=O BTL betaine aldehyde +CC[N+](CC)(CC)Cc1ccccc1 BTM n-benzyl-n,n-diethylethanaminium +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 BTN biotin +c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O BTO 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid +c1ccc(cc1)C[C@H](CS)C(=O)O BTP 2-thiomethyl-3-phenylpropanoic acid +C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2 BTQ epi-biotin +c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N BTR 6-bromo-tryptophan +c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O BTS 3-(2-benzothiazolylthio)-1-propanesulfonic acid +c1c(c(cc(c1O)O)O)O BTT benzene-1,2,4,5-tetrol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O BTU 3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose +c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O BTV 4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid +C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S BTW (2s,3r)-2-benzyl-3-sulfanylbutanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N BTX ((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate +Cc1cc2n(n1)C(=NC(=O)N2)N BTY 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one +[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2 BTZ n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide +C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O BU0 6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide +C(CCO)CO BU1 1,4-butanediol +C[C@@H](CCO)O BU2 1,3-butanediol +C[C@H]([C@@H](C)O)O BU3 (r,r)-2,3-butanediol +C[C@H](CCO)O BU4 (3r)-butane-1,3-diol +c1c[nH]c2c1c(ccn2)c3nc(cs3)CO BU5 [2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol +c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F BU6 5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide +CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S BU7 (5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +c1cc2c(nc1)nc([nH]2)N BU8 1~{h}-imidazo[4,5-b]pyridin-2-amine +C[C@H]([C@H](C)O)O BU9 meso-2,3-butanediol +CCCC(=O)O BUA butanoic acid +B(CCCC)(O)O BUB 1-butane boronic acid +CCCCSSC[C@@H](C(=O)O)N BUC s,s-butylthiocysteine +C[C@@H]([C@H](C)O)O BUD (2s,3s)-butane-2,3-diol +CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C BUE nerylneryl pyrophosphate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O BUF bufalin +CC(C)(C)[C@@H](C(=O)O)N BUG 3-methyl-l-valine +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F BUH ~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide +CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUI (3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate +CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C BUJ (3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br BUK n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O BUL bulgecin a +CC(C)(C)[C@@H](C(=O)NC)N BUM 2-amino-n,3,3-trimethylbutanamide +c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O BUN (2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one +CC(=O)C(=O)C BUO butane-2,3-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br BUP 5-bromouridine 5'-(tetrahydrogen triphosphate) +CC(=O)CCO BUQ 4-hydroxy-2-butanone +CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BUR 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea +CCCC BUT butyl group +c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-] BUU (2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid +c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUV 4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid +CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3 BUW r-ethopropazine +c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione +c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl BUY 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O BV0 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-] BV1 [3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N BV2 1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV3 1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N BV4 1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane +c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2 BV5 3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O BV6 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol +C1CNCCC1CCC(=O)O BV7 3-(4-piperidyl)propanoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7 BV8 3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid +Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N BV9 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide +c1ccc(cc1)C2=O[V](ON2)(O)(O)O BVA trihydroxy[(n-hydroxybenzamidato)oxo]vanadate +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br BVB 5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol +c1cscc1CN BVC 1-thien-3-ylmethanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O BVD 5-bromovinyldeoxyuridine +c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5 BVE 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide +Cc1ccnc(c1)N BVF 4-methylpyridin-2-amine +c1cnc([nH]1)CO BVG 1h-imidazol-2-ylmethanol +C=C[C@H]1CC[C@H]([C@@H](C1)O)O BVH (1r,2r,4s)-4-ethenylcyclohexane-1,2-diol +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5 BVI 8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine +COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5 BVJ methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate +c1cc(ccc1CC(=O)O)CN BVK 2-[4-(aminomethyl)phenyl]ethanoic acid +CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C BVL (2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one +CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl BVM 4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid +CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-] BVN 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate +c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O BVO 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O BVP (e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate +CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N BVQ norpseudo-b12 +B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O BVR [4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron +Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O BVS (2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid +CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8 BVT 3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid +c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F BVU 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione +c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N BVV amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium +CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C BVX 3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 BVY (3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one +[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O BVZ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide +CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O BW0 [[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N BW1 ~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N BW2 n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid +CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O BW3 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C BW4 methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate +C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N BW5 (2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid +C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C BW6 (3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one +CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4 BW7 (2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol +CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O BW8 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C BW9 chromium protoporphyrin ix +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 BWA n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea +C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O BWB (2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid +Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F BWC 5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br BWD 2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C BWE (2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O BWF (2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BWG n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O BWH albicidin +Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N BWI 1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile +c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O BWJ {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) +Cn1c([nH+]nn1)CC(=O)N[NH3+] BWK [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O BWL (2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +Cc1nnc(n1c2ccccc2CNC(=O)C)C BWM n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide +CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O BWO (2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BWP (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C BWQ ~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate +c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N BWR ~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide +C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N BWS l-gamma-glutamyl-l-alanylglycine +c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+] BWT [[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1 BWU tetraphenylporphycene contating cobalt +[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N BWV n~5~-(n-butylcarbamimidoyl)-l-ornithine +c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F BWW 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid +C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O BWX (2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid +CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C BWY 10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine +c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2 BWZ [[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium +COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N BX1 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 BX2 (5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O BX3 (+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid +c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N BX4 3'-aminobiphenyl-4-sulfonamide +C(Cc1n[nH]nn1)CC(=O)N[NH3+] BX5 [4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium +B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O BX6 [(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid +c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I BX7 n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide +B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BX9 [(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +C(C(=O)O)Br BXA bromoacetic acid +c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl BXB n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O BXC (3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside +CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C BXD (3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +C(CC(=O)N[NH3+])c1n[nH]nn1 BXE [3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O BXF 2-deoxy-2-fluoro-beta-d-xylopyranose +COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-] BXG 2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide +CCOC(=O)Cc1n[nH]nn1 BXH ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate +CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O BXI 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol +Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6 BXJ n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide +CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O BXK (2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N BXL (3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C BXM 4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide +Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl BXN 4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CCC\C=N/O BXO (1z)-butanal oxime +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O BXP 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O BXQ (3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide +c1cc(c(cc1Cl)CCN)n2cnnn2 BXR 2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine +c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2 BXS (2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid +CCN(C)C(=O)OC[C@@H](C(=O)O)N BXT (2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid +B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O BXU [(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid +c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F BXV 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid +c1cc2c(cc1C(=O)O)SCC(=O)N2 BXW 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O BXX beta-d-arabinofuranose +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O BXY alpha-d-arabinofuranose +c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br BXZ 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol +B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O BY0 [(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid +Cc1ccc(cc1)S(=O)(=O)/C=C/C#N BY1 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile +CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O BY2 [3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate +Cc1cccc2c1[C@H](C(=O)N2)N BY4 (3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one +c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F BY5 (~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O BY6 [(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C BY7 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O BY8 (3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O BY9 12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione +c1ccc(cc1)C(=O)NCCC(=O)O BYA n-(phenylcarbonyl)-beta-alanine +c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F BYB (2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O BYC benzoyl coenzyme a +c1cc(ccc1C(=O)NO)C(=O)NO BYD n,n'-dihydroxybenzene-1,4-dicarboxamide +C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F BYE 1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] BYG l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine +CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3 BYH 1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione +Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC BYJ 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine +C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 BYK [(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl BYL (3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol +c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F BYM (5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C BYN hydroxylated prenyl-fmn +C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4 BYO (3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione +CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O BYP (2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol +c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O BYR 3-bromo-l-tyrosine +c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O BYS 2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 BYT biocytin +Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C BYU n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC BYV 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile +c1cc(ccc1CC(=O)NO)CC(=O)NO BYX 2,2'-(1,4-phenylene)bis(n-hydroxyacetamide) +C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2 BYY 5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid +c1c(cn[nH]1)Br BYZ 4-bromo-1h-pyrazole +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N BZ0 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide +CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC BZ1 (+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide +c1ccc2c(c1)cc(o2)C(=O)O BZ2 1-benzofuran-2-carboxylic acid +COc1ccc2c(c1)cc[nH]2 BZ3 5-methoxy-1h-indole +c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2 BZ4 n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide +c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O BZ5 (1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid +COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4 BZ6 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole +CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3 BZ7 n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide +CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl BZ8 4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol +Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5 BZ9 n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine +c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1 BZA 1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol +B(c1cc2ccccc2s1)(O)O BZB benzo[b]thiophene-2-boronic acid +COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N BZC 2-(3'-methoxyphenyl) benzimidazole-4-carboxamide +c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BZD n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2nc(nc(n2)N)N BZE 6-phenyl-1,3,5-triazine-2,4-diamine +c1ccc2c(c1)cco2 BZF benzofuran +c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O BZG 6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N BZH 5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid +c1ccc2c(c1)[nH]cn2 BZI benzimidazole +c1ccc2cc(c(cc2c1)C(=O)O)O BZJ 3-hydroxynaphthalene-2-carboxylic acid +CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O BZK (2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid +c1ccc(cc1)COC(=O)c2ccccc2 BZM benzoic acid phenylmethylester +CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3 BZN n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide +c1ccc(cc1)COC=O BZO carbobenzoxy group +C1CN(CCN1)C(=O)O BZP n1-carboxypiperazine +c1ccc(cc1)C(=O)c2ccccc2 BZQ diphenylmethanone +c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1 BZR 1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O BZS l-benzylsuccinic acid +c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6 BZT 3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol +CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC BZU (4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide +CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N BZW 4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc2c(cc1O)OCO2 BZX 1,3-benzodioxol-5-ol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N BZY (2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide +c1ccc(cc1)CNN BZZ benzylhydrazine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C cytidine-5'-monophosphate +Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4 C00 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione +CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C C01 (2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate +Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4 C02 4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine +Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC C03 (2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid +C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C04 (6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3 C05 (2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide +C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O C06 [[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O C07 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one +[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F C08 difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron +CCOCc1[nH]c2c3ccccc3nc(c2n1)N C09 2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine +CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C C0A 3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O C0D (2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F C0E 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid +c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O C0F (4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O C0G (2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide +c1ccc(c(c1)Nc2ncnc(n2)N)Cl C0H ~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine +c1ccnc(c1)CCNc2cccc(c2C#N)F C0J 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O C0K {(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid +C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O C0L methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate +c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N C0M n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide +C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N C0O (~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid +c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl C0P 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine +CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O C0Q anilinopyrimidine ligand +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O C0R corticosterone +c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F C0S 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO C0T calicheamicin t0 +c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O C0V (2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid +c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S C0W (~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid +CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C C0X (2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid +CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2 C0Y (3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone +CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl C0Z 6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +CCCCCCCCCCOCCOCCOCCOCCOCCOCCO C10 hexaethylene glycol monodecyl ether +CCCCCCCCCCC[P@H](=O)OCCCC C11 undecyl-phosphinic acid butyl ester +C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O C12 2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate +c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl C13 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea +CCCCCCCCCCCCCC C14 tetradecane +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O C15 n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate +Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N C16 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile +c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O C17 7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde +CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl C18 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one +CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N C19 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one +[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N C1A (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate) +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N C1B (2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid +c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O C1C 1,1'-binaphthalene-2,2'-dicarboxylic acid +CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O C1D 1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl C1E (2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C C1F 3-carboxy-4-methyl-5-propyl-2-furanpropionic +C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN C1G n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide +c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-] C1H 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate +C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O C1I cortistatin a +[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N C1J n~5~-(n-octylcarbamimidoyl)-l-ornithine +C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO C1K (1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC C1L 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline +c1cc(ccc1n2cnnn2)Cl C1M 1-(4-chlorophenyl)-1h-tetrazole +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 C1N n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide +O=[Cu] C1O cu-o linkage +CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3 C1P n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O C1Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide +C1CNCCC1CCCC=O C1R 4-piperidinebutyrate +C=CCSSC[C@@H](C(=O)O)N C1S 3-(prop-2-en-1-yldisulfanyl)-l-alanine +CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O C1T s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine +C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C1U 2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile +c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F C1W 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O C1X (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine +CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N C1Y (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N C1Z guanosine 3'-diphosphate 5'-triphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C C20 acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl +c1cc(sc1)C(=O)O C21 thiophene-2-carboxylic acid +C([C@@H](C(=O)O)N)Cl C22 3-chloro-l-alanine +Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4 C23 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one +CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N C24 3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C25 cytidine-5'-monophosphate +CCCC[C@@H](CC)COS(=O)(=O)O C26 (2r)-2-ethyl-1-hexanesulfonic acid +C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC C27 (6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F C28 n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide +CN1CCOc2c1ccc(c2)C(=O)O C29 4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid +c1cc(cc(c1)Cl)CN C2A 1-(3-chlorophenyl)methanamine +c1cc(ccc1CN)Cl C2B 1-(4-chlorophenyl)methanamine +Cl([Cu])[Cu] C2C cu-cl-cu linkage +c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl C2D 6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N C2E 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one) +C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O C2F 5-methyl-5,6,7,8-tetrahydrofolic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O C2G [cytidine-5'-phosphate] glycerylphosphoric acid ester +C#C C2H acetylene +c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O C2I 9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one +c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O C2J n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide +c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl C2K (3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O C2L 5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate +Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl C2M 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine +C([C@H](C(=O)O)N)Cl C2N 3-chloro-d-alanine +O([Cu])[Cu] C2O cu-o-cu linkage +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O C2P cytidine-2'-monophosphate +Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O C2Q [(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O C2R 5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O C2S cytidine-5'-dithiophosphorate +CC[N+](C)(C)NCCC(=O)O C2T 3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid +c1c(cc(c(c1C(=O)O)O)Cl)Cl C2U 3,5-dichloro-2-hydroxybenzoic acid +CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4 C2V n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide +COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N C2W (3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide +CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N C2X 9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one) +COC(=O)c1c[nH]c2c1cccc2 C2Y methyl 1h-indole-3-carboxylate +c1cc(oc1c2cc(on2)O)P(=O)(O)O C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C C30 2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN C31 2'-o-3-aminopropyl cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O C32 5-bromo-2'-deoxy-cytidine-5'-monophosphate +CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C33 2alpha-propyl-1alpha,25-dihydroxyvitamin d3 +CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C34 n4-methyl-2'-deoxy-cytidine-5'-monophosphate +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C C35 n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide +C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O C36 5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O C37 5-fluoro-2'-deoxy-cytidine-5'-monophosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O C38 5-iodo-2'-deoxy-cytidine-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O C39 n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4 C3A allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C3B 4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one +c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O C3D (5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol +c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N C3E (3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O C3F 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C3G 4-nitrophenyl beta-d-glucopyranosiduronic acid +CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N C3H 2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid +CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F C3J 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide +CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3 C3K (3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide +C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O C3L 2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid +c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N C3M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide +CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O C3O 2alpha-propoxy-1alpha,25-dihydroxyvitamin d3 +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O C3P cytidine-3'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4 C3Q n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide +C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C C3R carolacton +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C C3S cholest-5-en-3-yl hydrogen sulfate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC C3T (3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide +Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C C3V 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one +CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O C3W 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid +C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C3X (2r)-oxiran-2-ylmethyl beta-d-xylopyranoside +C[C@](NO)(O)SC[C@@H](C(=O)O)N C3Y s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine +c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 C3Z 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O C40 n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide +CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N C41 aliskiren +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N C42 3'-amino-2'-deoxy-cytidine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C43 2'-o-methyoxyethyl-cytidine-5'-monophosphate +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O C44 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O C45 n4-methoxy-2'-deoxy-cytidine-5'-monophosphate +C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O C46 6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O C47 methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate +CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2 C48 n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide +[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F C49 4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate +CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3 C4A ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O C4B 1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione +CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2 C4C n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine +CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C C4D 4,4'-diaponeurosporene +c1ccc(cc1)Nc2c[nH]c3c2cccn3 C4E n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine +COc1cccc(c1)Cc2c[nH]c3c2cccn3 C4F 3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN C4G n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS C4H n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide +CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O C4J (5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5 C4K ~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +CCCC(=O)N[C@@H](CCO)C(=O)O C4L n-butanoyl-l-homoserine +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC C4M n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl C4N ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3 C4P n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide +c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3 C4Q 4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline +C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N C4R (r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium +C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O C4S 2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate) +CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4 C4T ~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O C4V (1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O C4W 1-azido-beta-n-acetyl-d-glucosamine +C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C4X 3,4-epoxybutyl-beta-d-xyloside +c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N C4Y 1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O C4Z (2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C C50 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine +C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N C51 (2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide +CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N C52 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one +[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1 C53 2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one +C1C[C@H](C=C1)C(=O)O C54 (1r)-cyclopent-2-ene-1-carboxylic acid +CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C56 4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] C57 4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide +c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N C58 (2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine +C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N C5A (1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid +C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N C5B (1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid +C1CCC(C1)SSC[C@@H](C(=O)O)N C5C s-cyclopentyl thiocysteine +CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C C5D (1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol +C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 C5E (1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one +CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl C5F 2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O C5G [cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester +C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O C5H (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid +c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N C5I 3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile +C(=O)(N)NC(=O)N C5J dicarbonimidic diamide +C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O C5K (2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC C5L 2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate) +Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC C5M n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC C5N ~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C5P cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4 C5Q 5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid +CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C C5R (2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid +C([C@H](C(=O)O)NC=O)C(=O)O C5S n-formyl-d-aspartic acid +CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC C5U dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5 C5V (1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O C5W 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid +C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O C5X 3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside +CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O C5Y 5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC C5Z methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate +CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C C60 [[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O C61 (2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide +c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N C62 4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC C63 (2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate +c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4 C64 n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide +c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO C65 (2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide +C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O C66 2-aminoethyllysine-carbonylmethylene-cytosine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O C67 n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine +CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O C68 (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid +COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br C69 (2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O C6A n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide +C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O C6B [(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate +C1CCC(CC1)SSC[C@@H](C(=O)O)N C6C s-cyclohexyl thiocysteine +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO C6D n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine +CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5 C6F 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N C6G 6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl C6H 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one +C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6J [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid +COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl C6K 1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one +CCCCCC(=O)N[C@@H](CCO)C(=O)O C6L n-hexanoyl-l-homoserine +CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O C6M [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid +C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O C6N 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C C6O 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O C6P n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O C6Q n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide +C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C6R n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O C6S (3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O C6T 2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine +C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl C6U n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide +CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F C6V lsz102 +C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1 C6W 3-cyclohexyl-1-propylphosphocholine +CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N C6X 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide +c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S C6Z 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol +c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F C7 n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide +c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl C70 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide +C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN C71 n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide +c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl C72 2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl C73 2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1 C75 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O C76 2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide +CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C C77 5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine +c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N C78 [1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester +CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N C79 (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl C7A n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide +c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl C7B 2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide +c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl C7C 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N C7G [(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 C7H 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N C7J (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O C7K 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N C7L (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O C7M (2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium +CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1 C7N 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol +C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7O n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl C7P cis-diammine(pyridine)chloroplatinum(ii) +[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2 C7Q (3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7R 2'-deoxy-5'-o-thiophosphonocytidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O C7S 2'-deoxy-5'-o-thiophosphonocytidine +c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl C7T (3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7U (3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F C7V 4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC C7W (3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF C7X n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5 C7Y n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C C7Z (1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol +CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O C80 (2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate +Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F C81 (4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one +c1cc(ccc1Nc2cnn[nH]2)Cl C82 ~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine +C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F C83 n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O C84 [(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid +[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1 C85 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide +C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF C86 n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N C87 momelotinib +Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N C88 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C C89 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one +c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O C8A {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) +CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-] C8B (3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione +c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N C8C 2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one +B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-] C8D n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide +CCCCCCCCOCCOCCOCCOCCO C8E (hydroxyethyloxy)tri(ethyloxy)octane +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O C8F 8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide +CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl C8G 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one +CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4 C8H (3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione +c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O C8J (2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2 C8K ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O C8L cucurbit[8]uril +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N C8M 3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e +C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8N [(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN C8O 2-(2-azanylethylamino)-5-nitro-benzoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O C8P n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide +COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 C8Q (3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O C8R 8-amino-n1-cyclic inosine 5'-diphosphoribose +C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N C8S (2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one +CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC C8U methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O C8V (2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N C8W 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid +c1cc(ccc1C(=O)OCCO)C(=O)OCCO C8X bis(2-hydroxyethyl) benzene-1,4-dicarboxylate +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N C8Y (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile +c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4 C8Z 4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O C90 n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide +c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5 C91 n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide +Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3 C92 n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide +c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O C93 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1 C94 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide +[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1 C95 4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid +[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1 C96 4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide +c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN C97 n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O C98 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid +C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O C99 {(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl C9A 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate +c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4 C9B (3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine +c1cc(ccc1C(=O)O)C(=O)OCCO C9C 4-(2-hydroxyethyloxycarbonyl)benzoic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2 C9D (2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide +CCOC(=O)c1ccnc2c1cc[nH]2 C9E ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate +CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC C9F [(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O C9G 2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +CCCCCSc1[nH]ncn1 C9H 5-(pentylsulfanyl)-1h-1,2,4-triazole +CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O C9J 2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one +C[C@@H](CNCCO)N C9K 2-[[(2~{s})-2-azanylpropyl]amino]ethanol +CCc1c(nc(nc1N2CCCCC2)N)NC C9L 5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +COC/C=C/c1ccc(c(c1)OC)O C9M 2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol +C[C@@H](CN(C)CCO)N C9N 2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F C9O ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide +B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O C9P 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid +CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl C9Q 4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide +COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F C9R ~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide +CCCCCC[C@@H](C)C(=O)O C9T (2~{r})-2-methyloctanoic acid +CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5 C9U 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F C9V [(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron +Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N C9W 4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide +CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5 C9X 2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate +c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O C9Y {2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC C9Z (9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +[Ca+2] CA calcium ion +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N CA0 5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine +CCC(=O)OCC CA1 ethyl propionate +c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O CA2 (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O CA3 coa-s-trimethylene-acetyl-tryptamine +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C CA4 cyproterone acetate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O CA5 coa-s-acetyl 5-bromotryptamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O CA6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CA7 7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O CA8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate +C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O CA9 (1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol +CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAA acetoacetyl-coenzyme a +C([C@@H](C(=O)O)N)C(C=O)(O)O CAB 4,4-dihydroxy-5-oxo-l-norvaline +C[As](=O)(C)[O-] CAC cacodylate ion +C[As](=O)(C)O CAD cacodylic acid +CC1(C2CCC1(CC2)C)C CAE camphane +C[As](=O)(C)SC[C@@H](C(=O)O)N CAF s-dimethylarsinoyl-cysteine +C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O CAG guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester] +CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C CAH 5-exo-hydroxycamphor +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O CAI carbomycin a +CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CAJ ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O CAK [(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CAL 5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid +CC1([C@@H]2CC[C@]1(C(=O)C2)C)C CAM camphor +C(CON)[C@@H](C(=O)O)N CAN canaline +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O CAO oxidized coenzyme a +C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O CAP 2-carboxyarabinitol-1,5-diphosphate +c1ccc(c(c1)O)O CAQ catechol +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O CAR cytosine arabinose-5'-phosphate +C[As](C)SC[C@@H](C(=O)O)N CAS s-(dimethylarsenic)cysteine +CCCCCCCCCCCC[N+](C)(C)C CAT dodecane-trimethylamine +CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O CAU (2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol +CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O CAV 5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid +c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CAW n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide +C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O CAX (2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone +C([C@@H](C(=O)O)N)SCC(=O)O CAY carboxymethylenecysteine +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O CAZ acylated ceftazidime +C(=C\Br)\Br CB0 cis-dibromoethene +c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N CB1 5-(aziridin-1-yl)-2,4-dinitrobenzamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CB2 phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O CB3 10-propargyl-5,8-dideazafolic acid +B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O CB4 pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate +[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153 CB5 cobalt bis(1,2-dicarbollide) +Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O CB6 (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid +c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5 CB7 (1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate +c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4 CB8 (1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C CB9 (2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O CBA n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate +[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N CBB 1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester +c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl CBC n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O CBD cibacron blue +CC1=C(SCCO1)C(=O)Nc2ccccc2 CBE 2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O CBF (2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide +CCC=O CBG propanal +C(CCSCC[C@@H](C(=O)O)N)CC(=O)O CBH s-(d-carboxybutyl)-l-homocysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBI cellobiose +c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CBJ 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O CBK 4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose +c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl CBL chlorambucil +CC(=O)O CBM carboxymethyl group +Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O CBN clorobiocin +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBO carbenoxolone +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO CBP 2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide +c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O CBQ [(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O CBR 5-bromo-2'-deoxy-cytidine-5'-monophosphate +c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl CBT n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine +C1(C(C(C(C(C1O)O)O)O)O)O CBU (1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br CBV 5-bromocytidine 5'-(dihydrogen phosphate) +CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C CBW (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid +C(=O)O CBX carboxy group +CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O CBY cob(ii)inamide +c1ccc(cc1)COC=O CBZ carbobenzoxy group +C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C CC0 (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid +CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N CC1 {4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid +Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4 CC2 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one +c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F CC3 n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide +C=C(C[SeH])C(=O)O CC4 2-(selanylmethyl)prop-2-enoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N CC5 beta-d-erythrofuranosyl-adenosine +c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O CC6 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O CC7 4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one +C[C@H](CS)C(=O)O CC8 (2s)-2-methyl-3-sulfanylpropanoic acid +COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O CC9 curcumin +C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC CCA 2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester +C1CCC(C1)N(C=O)C2CCC2 CCB cyclobutyl(cyclopentyl)formamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O CCC cytidine-5'-phosphate-2',3'-cyclic phosphate +C[C@H](CCC[N+](C)(C)C)O CCD (4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium +C[N+](C)(C)CCOC(=O)N CCE 2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C CCH [7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron +CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O CCI calicheamicin gamma-1-oligosaccharide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O CCK [1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid +C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N CCL n~6~-[(cyclopentyloxy)carbonyl]-d-lysine +CC1(CCCC1)C(=O)O CCM 1-methyl-1-carboxy-cyclopentane +CC#N CCN acetonitrile +c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O CCO carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol +CCCCP(=O)(O)O CCP butylphosphonate +CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O CCQ l-carnitinyl-coa inner salt +Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC CCR [n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine +C([C@@H](C(=O)O)N)SCC(=O)O CCS carboxymethylated cysteine +Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N CCT 5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +C(=C/C(=O)O)/C=C\C(=O)O CCU (2z,4z)-hexa-2,4-dienedioic acid +CC1=C(NC(=O)NC1=O)CC(CO)CO CCV 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione +CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N CCW (s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid +c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N CCX 3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide +c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O CCY 2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one +[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N CCZ phenyl (4-carbamimidoylbenzyl)phosphonate +[Cd+2] CD cadmium ion +CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O CD0 2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol +[OH2][Cd+2] CD1 cadmium ion, 1 water coordinated +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid +[OH2][Cd+2]([OH2])[OH2] CD3 cadmium ion, 3 waters coordinated +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC CD4 (2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate +[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2] CD5 cadmium ion, 5 waters coordinated +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2 CD6 (2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O CD7 (2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide +CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2 CD8 (2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4 CD9 5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F CDA 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide +Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C CDB 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide +C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O CDC [2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium +c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F CDD 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide +CC(C)[C@@H](C)N CDE 1,2-dimethyl-propylamine +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDF 4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O CDG methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside +CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N CDH d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline +C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO CDI 2c-methyl-d-erythritol 2,4-cyclodiphosphate +c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl CDJ 5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one +CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC CDK 4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC CDL cardiolipin +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O CDM 4-diphosphocytidyl-2-c-methyl-d-erythritol +CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O CDN cardiolipin +[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N CDO 2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CDP cytidine-5'-diphosphate +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 CDQ 6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR (2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol +Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O CDS (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CSCC[C@H](C(=O)O)NC(=O)N CDT 4-methylsulfanyl-2-ureido-butyric acid +CCCCCCCCCCNC(=O)NC1CCCCC1 CDU n-cyclohexyl-n'-decylurea +CC(C)[C@H](C(=O)O)NC(=O)N CDV 3-methyl-2-ureido-butyric acid +C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O CDW (4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one +C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 CDX (s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione +c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N CDY 2-chlorodideoxyadenosine +CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O CDZ 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one +[Ce+3] CE cerium (iii) ion +CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O CE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO CE1 o-dodecanyl octaethylene glycol +CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+] CE2 3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O CE3 (6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O CE4 (2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CE5 cellopentaose +C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CE6 cellohexaose +C([C@@H](C(O)(O)O)N)C(=O)N CE7 (3s)-3-amino-4,4,4-trihydroxybutanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O CE8 cellooctaose +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CE9 dodecyl nona ethylene glycol ether +C([C@@H](C(=O)O)N)SO CEA s-hydroxy-cysteine +CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CEB 2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine +C(CCl)NC=O CEC chloroethylcarbamoyl group +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CED 5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)CCCl CEE (2-chloroethyl)benzene +CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O CEF cefotaxime, c3' cleaved, open, bound form +C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O CEG 4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C CEH 5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O CEI n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide +C1CC(=O)CC1=O CEJ cyclopentane-1,3-dione +CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O CEK (9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F CEL 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide +C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O CEM n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O CEN 7beta-(4carboxybutanamido) cephalosporanic acid +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 CEO 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O CEP cephalothin group +CC[Si](C)(C)C CEQ ethyl-trimethyl-silane +C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O CER (2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O CES 2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC CET 2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine +CNc1cc(nc(n1)N)N2CCN(CC2)C CEU n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N CEV ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O CEW (2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O CEX alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O CEY alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4) -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O CEZ 4-o-beta-d-glucopyranosyl-d-gluconic acid +[Cf+3] CF californium ion +CF CF0 fluoromethane +COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F CF1 2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O CF2 2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine +c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F CF3 9,9,9-trifluoro-8-oxo-n-phenylnonanamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O CF4 [4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O CF5 coformycin 5'-phosphate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C CF6 n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N CF7 (2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide +c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S CF8 (~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid +c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-] CF9 2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate +c1cc(c(cc1Cl)Cl)OCC(=O)O CFA (2,4-dichlorophenoxy)acetic acid +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N CFB 2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine +CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O CFC 1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene +C[C@H](\C=C(/C)\[C@@H](C)N)C=O CFD (2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O CFE (8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +Cn1cnc2c1C(=O)N(C(=O)N2C)C CFF caffeine +CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3 CFG n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide +C(C(F)(F)F)(C(F)(F)F)O CFH 1,1,1,3,3,3-hexafluoropropan-2-ol +c1ccc(cc1)N(N=O)O CFI 1-hydroxy-2-oxo-1-phenylhydrazine +CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N CFJ (3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide +c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N CFK 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFL 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one +S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48 CFM fe-mo-s cluster +N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 CFN fe(7)-mo-s(9)-n cluster +O([Fe])[Fe]Cl CFO chloro diiron-oxo moiety +c1[nH]c2c(n1)c(nc(n2)F)Cl CFP 6-chloro-2-fluoropurine +C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine +C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N CFS 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid +C(F)(F)F CFT trifluoromethane +CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O CFU (2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O CFV [(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid +CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 CFX cefoxitin +c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N CFY [(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F CFZ 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) +c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N CG 4-amidinoindan-1-one-2'-amidinohydrazone +CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3 CG0 n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O CG1 5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N CG2 cytidyl-2'-5'-phospho-guanosine +c1ccc(c(c1)[N+](=O)O)O CG3 hydroxy(2-hydroxyphenyl)oxoammonium +COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O CG4 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid +CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC CG5 (9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide +C[C@H]([C@@H](C(=O)O)N)S CG6 beta-methyl-cysteine +Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid +CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CG8 (2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid +c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 CG9 6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine +C(CC(=O)OCC(=O)O)C(C(=O)O)N CGA carboxymethylated glutamic acid +C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O CGB calystegine b2 +c1ccc2c(c1)nc(s2)O CGD 1,3-benzothiazol-2-ol +COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2 CGE clopidogrel +C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O CGF c-(1-azido-alpha-d-glucopyranosyl) formamide +c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O CGG chlorogenic acid +C1CCCC(CC1)NCC(=O)O CGH n-cycloheptylglycine +Cc1nnc2n1-c3ccccc3COC2 CGJ 1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N CGK 3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid +C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N CGL cystine-glutathione +CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C CGM (4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside +C1CC(=O)N[C@@H]1C=O CGN 5-oxo-pyrrolidine-2-carbaldehyde +c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+] CGO sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N CGP 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate +c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N CGQ 3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium +C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O CGR cyclic guanosine diphosphate-ribose +CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC CGS n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride +c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO CGT carba-glucotropaeolin +C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N CGU gamma-carboxy-glutamic acid +C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O CGV s-[(r)-carboxy(hydroxy)methyl]-l-cysteine +C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CGW (2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid +CCc1c(nc(nc1N2CCCCC2)N)NC3CC3 CGX n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O CGY (1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol +C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N CH n3-protonated cytidine-5'-monophosphate +CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C CH0 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O CH1 3'-deoxy-cytidine-5'-triphosphate +[CH2] CH2 methylene group +C CH3 methyl group +C(CNCC(CNCCN)C=O)N CH4 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal +C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O CH5 2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium +CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N CH6 {(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O CH7 [(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc(cc1)Oc2ccc(cc2O)Cl CH8 5-chloro-2-phenoxyphenol +c1ccc(cc1)c2ccccc2O CH9 2-hydroxybiphenyl +C1CCC(CC1)C[C@@H](CO)N CHA 1-hydroxy-2-amino-3-cyclohexylpropane +c1cc(c(cc1C(=O)O)Cl)O CHB 3-chloro-4-hydroxybenzoic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O CHC 6-ethyl-chenodeoxycholic acid +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHD cholic acid +C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N CHF cyclohexylfluorostatone +C1CCC(CC1)[C@@H](C(=O)O)N CHG cyclohexyl-glycine +CC(=O)CCC[N+](C)(C)C CHH n,n,n-trimethyl-4-oxopentan-1-aminium +c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F CHI 5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide +CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl CHJ 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one +C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O CHK 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O CHL chlorophyll b +C(C(=O)CCl)Cl CHM 1,3-dichloro-propan-2-one +C1CC(CCC1CN)N CHN 4-aminomethyl-cyclohexylamine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHO glycochenodeoxycholic acid +c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O CHP 3-chloro-4-hydroxyphenylglycine +c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2 CHQ cyclo-(l-histidine-l-proline) inhibitor +Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC CHR neocarzinostatin-chromophore +C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N CHS 4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid +C[N+](C)(C)CCO CHT choline ion +CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC CHU n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide +c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl CHV 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O CHW 3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde +C1CCCCC1 CHX cyclohexane +c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O CHZ 1,8-dihydroxyanthracene-9,10-dione +c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI1 (2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C CI2 (5beta)-pregnane-3,20-dione +c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O CI3 (2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid +c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O CI4 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one +c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O CI9 n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid +CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 CIA 6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C CIB 2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O CIC citryl-thioether-coenzyme *a +c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl CID 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC CIE 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester +c1c(nc(cn1)Cl)N CIG 2-amino-6-chloropyrazine +C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O CIH (2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide +CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2 CII n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F CIJ 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione +CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C CIL cilastatin +c1cc(ccc1\C=C\C(=O)O)C(=O)O CIN 4-carboxycinnamic acid +COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N CIO cilomilast +C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O CIP inositol-2-methylene-1,2-cyclic-monophosphate +CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC CIQ 2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine +C(C[C@@H](C(=O)O)N)CNC(=O)N CIR citrulline +CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O CIS (15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide +C(C(=O)O)C(CC(=O)O)(C(=O)O)O CIT citric acid +c1cc(ccc1NC(=O)NC2CCCCC2)I CIU n-cyclohexyl-n'-(4-iodophenyl)urea +c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O CIV 2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide +c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 CIW 5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O CIX n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide +COc1cc(ccc1O)/C=C/C=O CIY (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal +C/C(=C/C(=O)O)/C(=O)O CIZ (~{z})-2-methylbut-2-enedioic acid +CNc1cc(nc(n1)N)N2CCOCC2 CJ0 n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O CJ1 7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol +COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F CJ2 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide +B1(c2ccccc2C=NN1C(=S)N)O CJ3 1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide +CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F CJ4 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F CJ5 1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea +CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3 CJ6 n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine +Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F CJ7 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole +CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O CJ8 (2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide +c1c(nc(nc1N2CCCCC2)N)NC3CC3 CJ9 n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2 CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CJB 1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl CJC 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one +CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC CJD 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOC(=O)[C@H](C)C(=O)C CJE ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate +c1c(nc(nc1N2CCOCC2)N)NC3CC3 CJF n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine +Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl CJG 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one +CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N CJH (2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide +c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N CJJ 5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide +Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N CJK 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4 CJL n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO CJM 2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol +CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C CJN ~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine +C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O CJO [(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN CJP 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine +c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5 CJQ 2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide +CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3 CJR n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine +CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N CJT 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide +CNc1cc(nc(n1)N)N2CCCCC2 CJU n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine +CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC CJV methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate +c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CJW 6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N CJX (2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol +c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O CJY 3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl CJZ 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N CK0 (2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1cnc(nc1c2cc(sc2Cl)Cl)N CK1 4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N CK2 4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O CK3 n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F CK4 4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O CK5 3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O CK6 4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol +Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] CK7 [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine +Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C CK8 n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O CK9 2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol +c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O CKA 7-chlorokynurenic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CKB 1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione +CC(=O)[C@H](CCCCN)N CKC (3s)-3,7-diaminoheptan-2-one +c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKD (s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide +CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN CKE 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine +c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2 CKG 8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F CKH 2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide +c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl CKI n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide +CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F CKJ 1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine +c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F CKK n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide +COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N CKL 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide +C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKM n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C CKN (3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide +CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 CKO e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide +C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O CKP 6-o-phosphono-beta-d-psicofuranosonic acid +c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKQ 4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid +c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N CKR 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKS n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O CKT cys-ketimine +CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O CKU (3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid +C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5 CKV n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CKW (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O CKX (2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid +C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CKY n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide +c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O CKZ (2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol +[Cl-] CL chloride ion +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL0 chlorophyll a isomer +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL1 alpha chlorophyll a +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C CL2 beta chlorophyll a +CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4 CL3 n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide +c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-] CL4 n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide +C(CNCC(=O)O)C=O CL5 n-(3-oxopropyl)glycine +c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 CL6 1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole +CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C CL7 chlorophyll d +c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CL8 chloramphenicol succinate +c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N CL9 2-chloro-2'-deoxyadenosine +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C CLA chlorophyll a +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLB d-para-chlorophenyl-1-acetamidoboronic acid alanine +CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O CLC n-acetyl-p-nitrophenylserinol +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N CLD d-para-chlorophenyl-1-acteamidoboronic acid alanine +CC(C)C[C@@H](C(=O)N)N CLE leucine amide +[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLF fe(8)-s(7) cluster +C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N CLG 2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid +C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N CLH 2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid +c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl CLI 3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid +Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C CLJ calicheamicin alpha3i +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N CLK alpha-n-dichloroacetyl-p-aminophenylserinol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C CLL cholesteryl linoleate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] CLM chloramphenicol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O CLN sulfur substituted protoporphyrin ix +[Cl-] CLO chloro group +[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71 CLP fe-s cluster +CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl CLQ n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CLR cholesterol +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O CLS cephalothin +c1ccc(cc1)CCCC(=O)O CLT 4-phenyl-butanoic acid +c1cc(c(c(c1)Cl)N=C2NCCN2)Cl CLU 2,6-dichloro-n-imidazolidin-2-ylideneaniline +C[C@@H](C1N=CC(=O)N1CC(=O)O)N CLV {(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2c(cc1Cl)NC(=O)O2 CLW chlorzoxazone +C(=O)C(Cl)(Cl)Cl CLX tri-chloro-acetaldehyde +CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl CLY clindamycin +c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N CLZ 5-chloryl-2,4,6-quinazolinetriamine +CC(=O)O CM carboxymethyl group +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O CM0 5-(carboxymethoxy) uridine-5'-monophosphate +C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O CM1 carboxymycobactin s +c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O CM2 carboxymycobactin t +C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5 CM3 (2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol +C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O CM4 (2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol +C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CM5 5-cyclohexyl-1-pentyl-beta-d-maltoside +c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4 CM6 (2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide +CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O CM7 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O CM8 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide +CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2 CM9 cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide +C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N CMA n2-(carboxyethyl)-l-arginine +Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl CMB 1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O CMC carboxymethyl coenzyme *a +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O CMD 3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin +C(CSSC[C@@H](C(=O)O)N)O CME s,s-(2-hydroxyethyl)thiocysteine +c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5 CMF 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 CMG 6-o-cyclohexylmethyl guanine +C[Hg]SC[C@@H](C(=O)O)N CMH s-(methylmercury)-l-cysteine +[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N CMI 1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide +CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC CMJ (20s)-20-methyldotetracontane +C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O CMK cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid +C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O CML (2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC CMM 2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CMN (1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +[C-]#[O+] CMO carbon monoxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N CMP adenosine-3',5'-cyclic-monophosphate +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2 CMQ n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O CMR 2'-deoxy-cytidine-5'-rp-monomethylphosphonate +CN(CC(=O)O)C(=O)N CMS carbamoyl sarcosine +COC(=O)[C@H](CS)N CMT o-methylcysteine +[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl CMU 5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil +CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CMV (2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2 CMW 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O CMX carboxymethyldethia coenzyme *a +C(CCCNC(=O)O)CCN CMY (6-aminohexyl)carbamic acid +Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C CMZ (2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol +C#N CN cyanide +C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O CN0 (2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid +O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O CN1 oxo-iron cluster 2 +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC CN2 2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide +CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC CN3 (2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F CN4 n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide +CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O CN5 (5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate +CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC CN6 (2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate +Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6 CN7 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid +CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC CN8 (4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide +Cc1c2c(ccn1)c3ccccc3[nH]2 CN9 1-methyl-9h-pyrido[3,4-b]indole +c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N CNA carba-nicotinamide-adenine-dinucleotide +O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O CNB oxo-iron cluster 1 +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O CNC cyanocobalamin +c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O CND 5-beta-d-ribofuranosylnicotinamide adenine dinucleotide +CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC CNE (3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid +O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O CNF oxo-iron cluster 3 +C1CCCC(CCC1)NCC(=O)O CNG n-cyclooctylglycine +CC(C)(C#N)O CNH 2-hydroxy-2-methylpropanenitrile +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N CNI 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile +c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CNK (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol +CC1(C2CCC(O1)(CC2)C)C CNL 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane +CC(=O)N CNM acetamide +C(#N)N CNN cyanamide +CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O CNO 2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O CNP 2-propenyl-n-acetyl-neuraminic acid +c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N CNQ 3-(4-chlorophenyl)quinoxaline-5-carboxamide +C[C@@H](C(=O)O)Cl CNR (2s)-2-chloropropanoic acid +CCCCCCCCCCCCCCCCOC(=O)CCCCCCC CNS hexadecyl octanoate +CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O CNT n-methyl-meta-chloro-tyrosine +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N CNU 5-cyano-uridine-5'-monophosphate +CCC#N CNV propanenitrile +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N CNW 7-diethylamino-2-oxo-chromene-3-carboxamide +CCCCCCC#N CNX heptanenitrile +C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N CNY 13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside +c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] CNZ l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine +[Co+2] CO cobalt (ii) ion +CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O CO0 (3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione +C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C CO1 17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol +C(=O)=O CO2 carbon dioxide +C(=O)([O-])[O-] CO3 carbonate ion +Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC CO4 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine +[OH2][Co+3]([OH2])([OH2])([OH2])[OH2] CO5 cobalt ion,5 waters coordinated +CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO6 isobutyryl-coenzyme a +C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O CO7 s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CO8 octanoyl-coenzyme a +C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N CO9 1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O COA coenzyme a +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O COB co-methylcobalamin +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC COC cocaine +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O COD dephospho coenzyme a +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O COE furo[2,3d]pyrimidine antifolate +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O COF trifluoroacetonyl coenzyme a +CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N COG 2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O COH protoporphyrin ix containing co +CC(C)CC(=O)C(=O)O COI 2-oxo-4-methylpentanoic acid +C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O COJ hydrogenobyrinic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O COK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O COL 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid +C(CS(=O)(=O)O)S COM 1-thioethanesulfonic acid +[NH3][Co+3]([NH3])([NH3])[NH3] CON cobalt tetraammine ion +CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O COO crotonyl coenzyme a +c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O COP n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid +CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N COQ 2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N COR 2,4-diamino-1,5-diphenyl-3-hydroxypentane +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O COS coenzyme a persulfide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O COT coa-s-acetyl tryptamine +c1ccc2c(c1)C=CC(=O)O2 COU coumarin +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C COV (1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O COW anthraniloyl-coenzyme a +Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N COX 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O COY co-(adenin-9-yl-pentyl)-cobalamin +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O COZ coenzyme a +C(=O)(N)OP(=O)(O)O CP phosphoric acid mono(formamide)ester +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7 CP0 (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate +CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N CP1 2-(methylamino)-ethylglycine-carbonylmethylene-cytosine +C[C@@H](CCl)Cl CP2 1,2-dichloro-propane +Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C CP3 coproporphyrinogen iii +c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl CP4 bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol +c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-] CP5 (2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate +CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl CP6 5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine +CCc1c(c(nc(n1)N)N)c2ccccc2 CP7 6-ethyl-5-phenylpyrimidine-2,4-diamine +C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4 CP8 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid +Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O CP9 3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N CPA 2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate +C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O CPB 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one +C[C@H]1C[C@]1(C(=O)O)NC CPC 2-methyl-1-methylamino-cyclopropane carboxylic acid +CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl CPD [1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester +c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4 CPF 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N CPG guanosine-5'-phosphate +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O CPH (1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose +C1CCN[C@H](C1)C(=O)O CPI 6-carboxypiperidine +CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O CPJ bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane +CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O CPK bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CPL 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine +CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O CPM s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane +C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O CPN 2-aminoethylglycine-carbonylmethylene-cytosine +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO CPO coprogen +C[C@@H](CC1CC1)C=O CPP 2-cyclopropylmethylenepropanal +C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CPQ n,n-bis(3-d-gluconamidopropyl)deoxycholamide +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl CPR 6-chloropurine riboside, 5'-monophosphate +C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPS 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate +[NH3][Pt]([NH3])(Cl)Cl CPT cisplatin +c1ccc(cc1)CCCNC(=O)NC2CCCCC2 CPU n-cyclohexyl-n'-(propyl)phenyl urea +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O CPV 5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid +C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N CPW (s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid +CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4 CPX n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide +C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N CPY 1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one +c1cc(ccc1c2cnc[nH]2)Cl CPZ 4-(4-chlorophenyl)imidazole +Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4 CQ0 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O CQ1 [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O CQ2 {(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl CQ3 n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide +[O-][Cr](=O)(=O)[O-] CQ4 chromate +C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4 CQ5 3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one +CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3 CQ6 7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine +Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6 CQ7 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide +CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3 CQ8 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide +CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4 CQ9 (3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione +CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl CQA 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol +CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O CQB (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid +CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C CQC 5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione +c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3 CQD 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione +CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F CQE n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide +Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C CQF (6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine +c1cnccc1O CQG pyridin-4-ol +CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-] CQH 5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC CQI [(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +Cc1ccnc(c1)O CQJ 4-methylpyridin-2-ol +c1cnc(cc1c2n[nH]nn2)C(=O)NO CQK ~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +c1cc2c(cc(c(c2nc1)O)I)Cl CQL 5-chloro-7-iodoquinolin-8-ol +C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O CQM citramalyl-coa +CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3 CQN bepridil +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN CQO 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine +c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl CQP (4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 CQQ 4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CQR [(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N CQS 2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3 CQT ~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide +Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3 CQU n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCCc1ccc(nc1)C(=O)O CQV 5-butylpyridine-2-carboxylic acid +c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl CQW 5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CQX (2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol +CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-] CQY (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone +c1cnc(cc1C(=O)O)NCCCO CQZ 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid +[Cr+3] CR chromium ion +CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O CR0 [2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde +COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CR1 n-(methoxycarbonyl)-beta-d-glucopyranosylamine +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O CR2 {(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N CR3 2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate +c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] CR4 2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate +C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O CR5 (2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium +CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CR6 1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O CR7 [(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N CR8 2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate +C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F CR9 2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate +COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N CRA 1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide +C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O CRB [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid +CCCCCCCCCC(=O)O CRC capric acid +C\C=C\C=O CRD (2e)-but-2-enal +CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C CRE germacrene a +C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O CRF [(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O CRG [2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC CRH 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene +Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO CRI 5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide +c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F CRJ n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide +CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O CRK 4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate +C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2 CRL n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide +C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O CRM 3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid +CN(CC(=O)O)C(=N)N CRN n-[(e)-amino(imino)methyl]-n-methylglycine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O CRO {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl CRP ((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O CRQ [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid +c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5 CRR 3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid +Cc1cccc(c1)O CRS m-cresol +C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC CRT spirilloxanthin +[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O CRU 4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid +c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F CRV n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N CRW [2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N CRX [2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid +C(C(CO)O)O CRY propane-1,2,3-triol +c1ccc2c(c1)c3ccccc3n2CCCC(=O)O CRZ 4-(9h-carbazol-9-yl)butanoic acid +[Cs+] CS cesium ion +C(CSC[C@@H](C(=O)O)N)O CS0 s-(2-hydroxyethyl)-l-cysteine +c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N CS1 s-(2-anilinyl-sulfanyl)-cysteine +C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O CS2 d-mannonic acid +c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N CS3 s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine +c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl CS4 s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C CS5 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C CS7 n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide +CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CS8 3-thiaoctanoyl-coenzyme a +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C CS9 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide +CC(=O)CSC[C@@H](C(=O)O)N CSA s-acetonylcysteine +C([C@@H](C(=O)O)N)S[Pb+] CSB cys bound to lead ion +CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O CSC 4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium +C([C@@H](C(=O)O)N)[S@@](=O)O CSD 3-sulfinoalanine +C([C@@H](C(=O)O)N)[SeH] CSE selenocysteine +CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O CSF cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N CSG 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) +c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O CSH [2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid +[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O CSI amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid +c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N CSJ s-[(2-aminophenyl)carbonyl]-l-cysteine +C[Se]SC[C@@H](C(=O)O)N CSK s-(methylselanyl)-l-cysteine +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O CSL (d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate +COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O CSM 1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O CSN n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium +C([C@@H](C(=O)O)N)SO CSO s-hydroxycysteine +C([C@@H](C(=O)O)N)SP(=O)(O)O CSP s-phosphocysteine +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSQ o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate +C([C@@H](C(=O)O)N)S[As](=O)(O)O CSR s-arsonocysteine +C([C@@H](C(=O)O)N)SS CSS s-mercaptocysteine +C([C@@H](C(=O)O)N)SS(=O)(=O)O CSU cysteine-s-sulfonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O CSV o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate +C([C@@H](C(=O)O)N)S(=O)O CSW cysteine-s-dioxide +C([C@@H](C(=O)O)N)[S@H]=O CSX s-oxy cysteine +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O CSY [(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C([C@@H](C(=O)O)N)S[SeH] CSZ s-selanyl cysteine +c1csc(n1)NC(=O)C(=O)NC2CCCC2 CT0 n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide +CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C CT1 (1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate +CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2 CT2 1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CT3 beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine +CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4 CT5 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol +c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4 CT6 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine +CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl CT7 (5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine +c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4 CT8 (5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N CT9 4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide +c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O CTA cyclotheonamide a +B(CNC(=O)Cc1cccs1)(O)O CTB n-2-thiophen-2-yl-acetamide boronic acid +C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O CTC 7-chlorotetracycline +C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTD 3-deazacytidine +c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N CTE 7-chlorotryptophan +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC CTF (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate +C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O CTG (5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate +C([C@H]([C@@H](C(=O)O)N)O)Cl CTH 4-chlorothreonine +C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5 CTI 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O CTJ 1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium +CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O CTK 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid +c1ccc2c(c1)CC[C@@H]([C@@H]2O)N CTL cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O CTM (2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CTN 4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O CTO triacetylchitotriose +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O CTP cytidine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O CTR cellotriose +C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O CTS castanospermine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O CTT beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7 CTU 3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one +CC(=CCC/C(=C\C#N)/C)C CTV (2z)-3,7-dimethylocta-2,6-dienenitrile +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F CTW n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 CTX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O CTY clarithromycin +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O CTZ c2-hydroxy-coelenterazine +[Cu+2] CU copper (ii) ion +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O CU0 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[Cu+] CU1 copper (i) ion +[Cu+3] CU3 copper (iii) ion +CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F CU4 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide +COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O CU5 s-dihydrowogonin +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 CU6 [cuii(biot-et-dpea)]2+ +C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O CU7 (2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate +Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N CU8 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C CU9 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium +[Cu][Cu] CUA dinuclear copper ion +CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+] CUB cu(i)-s-mo(iv)(=o)o-nbic cluster +C1CCC(CC1)[C@@H](C(=O)O)N CUC cyclohexylglycyl +C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N CUD 3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine +c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O CUE coumestrol +c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F CUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii) +CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O CUG (2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O CUH 2,3,4-trihydroxybenzophenone +S1[Cu]S([Cu]1)([Cu])[Cu] CUK [4cu:2s] cluster +Cl[Cu]Cl CUL copper (ii) chloride +O[Mo+6](=O)S[Cu+] CUM cu(i)-s-mo(vi)(=o)oh cluster +O[Mo+4](=O)S[Cu+] CUN cu(i)-s-mo(iv)(=o)oh cluster +O1[Cu]O[Cu]1 CUO cu2-o2 cluster +c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3 CUP (n-salicyliden-l-phenylalanato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(c(c2)O)O CUQ [3,4-bis(oxidanyl)phenyl]-phenyl-methanone +COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O CUR (1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one +CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2 CUS (n-salicyliden-l-leucinato)-copper(ii) +c1ccc(cc1)C(=O)c2ccc(cc2O)O CUT [2,4-bis(oxidanyl)phenyl]-phenyl-methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N CUU [(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate +S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni] CUV fe(4)-ni(1)-s(4) cluster, oxidized +C(C[C@H]([C@@H](C(=O)O)N)O)CN CUW (2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid +c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl CUX 2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal +CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CUY tetracosyl octadecanoate +S123[Cu]4[Cu]15[Cu]24[Cu]35 CUZ (mu-4-sulfido)-tetra-nuclear copper ion +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C CV0 mesoporphyrin ix containing rh +c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N CV1 (2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide +C=C(c1ccccc1)[C@@H](N)P(=O)(O)O CV2 (s)-(1-amino-2phenylallyl)phosphonic acid +CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O CV3 (3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione +CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F CV4 n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3 CV5 (3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid +CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F CV6 tezacaftor +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O CV7 desisobuytyryl ciclesonide +C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC CV8 2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O CV9 (2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 CVA 2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide +B(c1ccc(cc1)\C=C\C(=O)O)(O)O CVB 4-(carboxyvin-2-yl)phenylboronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O CVC [(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate +COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O CVD (2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol +C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 CVE (3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid +CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O CVF 3-[4-(2-acetamidoethyl)phenyl]benzoic acid +Cc1ccc(nn1)O CVG 6-methylpyridazin-3-ol +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C CVI crystal violet +CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3 CVJ (1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide +CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4 CVK 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline +CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C CVL 5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one +C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CVM cymal-4 +c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F CVN 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one +C1CNCCC1COC(=O)N2CCC(CC2)(CN)F CVO piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate +c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4 CVP 4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide +COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC CVQ 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol +[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O CVR cyclic adenosine 5'-diphosphocarbocyclic ribose +COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3 CVT 3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide +C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O CVU l-fuculose open form +c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O CVV n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide +Cc1ccc2c(c1)c(c[nH]2)CCN CVW 2-(5-methyl-1~{h}-indol-3-yl)ethanamine +CCCCO[P@@](=O)(C)O CVX o-butlylmethylphosphonic acid ester group +CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] CVZ 3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione +c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F CW0 piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O CW1 cotylenin a +C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl CW2 n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide) +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C CW4 (4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC CW5 1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea +CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O CW6 2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol +CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O CW7 cotylenin a +CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C CWA (4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one +Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C CWB 1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide +CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3 CWC 4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl CWD 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CWE r-naringenin +C[C@@H](CCCCCCC(=O)O)N CWF (8s)-8-azanylnonanoic acid +Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C CWG 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine +C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C CWH [(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate +Cc1cc2cc(ccc2[nH]1)OC CWJ 5-methoxy-2-methyl-1h-indole +c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWK 3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile +C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N CWL (3r)-3-[(1r)-1-azanylethyl]nonanedioic acid +Cc1[nH]c2c(n1)cccc2O CWM 2-methyl-1h-benzimidazol-7-ol +Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C CWN ntme polyamide +[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] CWO co(ii)-substituted wells-dawson +Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C CWP n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine +C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O CWQ 2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium +CC1=NCN(C1=O)CC(=O)O CWR (4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid +Cc1ccc2c(c1)c(ncn2)N CWS 6-methylquinazolin-4-amine +CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C CWT (5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O CWU 5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O CWV [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br CWW 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CWX 4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide +COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N CWY (1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid +c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5 CWZ n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N CX0 [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4 CX1 n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O CX2 2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5 CX3 [2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+) +c1cc2c(cc1Cl)ncnc2NCC3CC3 CX4 7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine +c1cc2c(cc1C(=O)N3CCCCC3)nccn2 CX5 piperidin-1-yl(quinoxalin-6-yl)methanone +c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O CX6 2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one +C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O CX7 cotylenol +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5 CX8 [2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C CX9 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione +c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N CXA phenylalanine-n-sulfonamide +B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O CXB [(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N CXC [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl CXD 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide +CCCCCCCCCCOCCOCCOCCOCCOCCO CXE pentaethylene glycol monodecyl ether +C1CCC(CC1)NC=O CXF cyclohexylformamide +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O CXG methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +c1cc(c(cc1NC(=O)CS)Cl)Cl CXH ~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide +c1c(cc(cc1F)F)[C@@H](C(=O)O)O CXJ (2s)-(3,5-difluorophenyl)(hydroxy)acetic acid +C1CCC(CC1)O CXL cyclohexanol +CSCC[C@@H](C(=O)O)NC(=O)O CXM n-carboxymethionine +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O CXN cloxacillin +C1CCC(=O)C(=O)C1 CXO cyclohexane-1,2-dione +C1CCC(CC1)CCC(=O)O CXP cyclohexane propionic acid +CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4 CXQ benztropine +[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O CXR cyclic adenosine diphosphate-ribose +C1CCC(CC1)NCCCS(=O)(=O)O CXS 3-cyclohexyl-1-propylsulfonic acid +CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O CXT carboxyatractyloside +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXU cloxacillin (open form) +Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O CXV (2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O CXW 2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol +CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CXX 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O CXY cytidine-5'-diphospho-beta-d-xylose +c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl CXZ 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol +c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N CY0 s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine +CC(=O)NCSC[C@@H](C(=O)O)N CY1 acetamidomethylcysteine +C([C@@H](C(=O)N)N)S CY3 2-amino-3-mercapto-propionamide +CCCC(=O)SC[C@@H](C(=O)O)N CY4 s-butyryl-cystein +CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C CY6 n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide +CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N CY7 s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine +C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 CY8 cyclopamine +C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O CY9 (3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate +O.O CYA two oxygen atoms bound to sg of cys +CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C CYB phycourobilin +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C CYC phycocyanobilin +C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYD 2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid +Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C CYE 45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene +c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O CYF 5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid +C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N CYG 2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid +C1CCC(=O)CC1 CYH cyclohexanone +[C-]#[N+]C1CCCCC1 CYI cyclohexyl isocyanide +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O CYJ (z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine +CCCCCC(=O)N[C@@H](CCS)C(=O)O CYK n-hexanoyl-l-homocysteine +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO CYL valienamine +CSC[C@@H](C(=O)O)N CYM s-methylcysteine +[C-]#N CYN cyanide ion +O.O.O CYO oxygens bound to cys sg +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N CYP 9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene +C([C@@H](C(=O)O)N)SCP(=O)(O)O CYQ 2-amino-3-phosphonomethylsulfanyl-propionic acid +C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N CYR n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate +C([C@@H](C(=O)O)N)S CYS cysteine +C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 l-cysteine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])S CYS_LEO2H l-cysteine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg +C([C@@H](C(=O)O)N)S CYS_LFOH l-cysteine free neutral +C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG l-cysteine-free neutral/with side chain deprotonated sg +C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW l-cysteine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG l-cysteine-free zwitterion/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH-])S CYS_LL l-cysteine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG l-cysteine-linking embedded fragment/with side chain deprotonated sg +C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 l-cysteine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg +C1=C(NC(=O)N=C1)N CYT 6-aminopyrimidin-2(1h)-one +C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O CYU calyculin a +CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C CYV ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate +C[C@H](C(=O)SC[C@@H](C(=O)O)N)O CYW s-[(2r)-2-hydroxypropanoyl]-l-cysteine +C=C(CCP(=O)(O)O)C=O CYX (3-formyl-but-3-enyl)-phosphonic acid +C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N CYY 2-deoxystreptamine +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4 CYZ cyclothiazide +CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O CZ0 8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one +C([C@@H](C(=O)O)N)S[As](O)O CZ2 s-(dihydroxyarsino)cysteine +C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC CZ3 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole] +Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl CZ4 5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3 CZ5 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide +B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N CZ6 2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid +B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O CZ7 ({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ8 ({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid +B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O CZ9 n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide +CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O CZA (6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO CZB (2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZC [(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN CZD (8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide +c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O CZE (2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O CZF [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-] CZG 2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide +c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O CZH c2-hydroperoxy-coelenterazine +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO CZI (2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O CZJ (3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O CZK (2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24 CZL l-cluster (fe8s9) +Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C CZM 'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine' +c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO CZN (2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one +C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O CZO [(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid +c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O CZP (8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one +C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F CZQ 2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone +c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N CZS 3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine +C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O CZT (2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O CZU [[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F CZV 6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cccc(c1C)[C@H](C)c2c[nH]cn2 CZX 4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole +C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C CZY 6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C([C@@H](C(=O)O)N)S[As]O CZZ thiarsahydroxy-cysteine +CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D00 2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate) +c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-] D01 2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide +COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F D02 methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4 D03 (s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3 D04 4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide +CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O D05 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one +CNc1c2cnn(c2nc(n1)Cl)C D07 6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO D08 2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide +C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D09 5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F D0A n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC D0B 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one +c1cc(ccc1C[C@H](C(=O)O)N)Cl D0C 4-chloro-d-phenylalanine +COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4 D0E 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3 D0F (2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CC[C@H](C)CCCCCCCCCCCCC(=O)O D0G (14s)-14-methylhexadecanoic acid +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C D0H 6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide +COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O D0J (2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol +CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC D0K 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide +CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O D0L (2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +CCC(CC)N D0M pentan-3-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O D0N (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C D0O (4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid +c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O D0P n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N D0Q 5-methyl-l-tryptophan +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O D0R n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide +CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5 D0S n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide +CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O D0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c(cc1N)S)C(=O)O D0U 4-azanyl-2-sulfanyl-benzoic acid +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D0V (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0W sampatrilat-asp +CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl D0X [ru(eta(6)-p-cymene)cl-2(pta) +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl D0Y (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O D0Z sampatrilat +CCCCCCCCCC D10 decane +C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O D11 d-phosphothreonine +CCCCCCCCCCCC D12 dodecane +C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I D13 4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine +C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1 D14 7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide +c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl D15 n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide +CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O D16 tomudex +c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3 D17 n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid +CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N D18 2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5 D19 2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] D1A n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N D1B 2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride +c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N D1C 4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide +C1[C@H]([C@@H](CSS1)O)O D1D (4s,5s)-1,2-dithiane-4,5-diol +CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1F 1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CN(C)Cc1ccc(o1)c2cccnc2 D1G n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine +Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C D1H 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1I 3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one +CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1J 1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione +CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D1K 3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl D1L 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D1M 5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)ccc(c2O)O D1N naphthalene-1,2-diol +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O D1P 2'-deoxy-ribofuranose-5'-phosphate +CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1 D1Q 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4 D1R nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC D1S (4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +CCCCCCCCCCS D1T decane-1-thiol +CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C D1U 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide +c1ccc2c(c1)C(=O)NC(=N2)S D1V 2-mercapto(3h)quinazolinone +CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 D1W 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine +C1C(=CC(=O)NC1=O)C(=O)O D1X 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid +c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O D1Y (2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5 D1Z ~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide +COCCNC(=N)NCCC[C@@H](C(=O)O)N D20 n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC D21 (2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate +CCCCCCCCNCCCCCCCC D22 n-octyloctan-1-amine +CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N D23 6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5 D24 2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan +c1ccc(cc1)c2cc(on2)c3cc[nH]n3 D25 3-phenyl-5-(1h-pyrazol-3-yl)isoxazole +c1ccc(cc1)c2ncc(s2)c3cc[nH]n3 D26 phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole +COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O D27 2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid +Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O D28 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid +c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F D29 (z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol +[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N D2A 2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine +CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2B 5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O D2C (2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide +CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2D 5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4 D2E 5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine +CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2F 5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +CNCc1ccc(o1)c2cccnc2 D2G n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine +CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC D2H 5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O D2J 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid +CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2K ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate +CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC D2L [(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate +COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC D2M 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol +CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2N ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4 D2O 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +C([C@@H](CCl)Cl)O D2P (2s)-2,3-dichloropropan-1-ol +CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC D2Q ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC D2R 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid +c1cc(c(cc1O)O)SSc2ccc(cc2O)O D2S 4,4'-disulfanediyldibenzene-1,3-diol +CS[C@H]([C@@H](C(=O)O)N)C(=O)O D2T (3r)-3-(methylsulfanyl)-l-aspartic acid +Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C D2U (2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D2V (3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol +CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC D2W 4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide +Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O D2X 3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O D2Y methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside +C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2 D2Z 2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium +c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3 1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole +CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F D30 [(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid +c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5 D31 2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide +Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C D32 (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid +c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O D33 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5 D34 2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan +c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5 D35 2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan +CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D36 n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 D37 n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide +CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O D38 n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC D39 (2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid +COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl D3A (1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid +Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C D3B 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F D3C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC D3D (19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate +C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O D3E n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] D3F 2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene +c1cc(cnc1)c2ccc(o2)CN D3G (5-(pyridin-3-yl)furan-2-yl)methanamine +c1cc(ccc1N)NC(=O)CN D3H ~{n}-(4-aminophenyl)-2-azanyl-ethanamide +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D3J (2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3K (2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine +COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3 D3L (5-methoxy-1h-indol-2-yl)-phenyl-methanone +COc1c(ccc(c1C(=O)O)Cl)Cl D3M 3,6-dichloro-2-methoxybenzoic acid +c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O D3N 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one +[2H][O+]([2H])[2H] D3O trideuteriooxidanium +c1c(cc(cc1O)O)[C@H](C(=O)O)N D3P (2r)-amino(3,5-dihydroxyphenyl)acetic acid +COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3 D3Q (2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O D3R ~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O D3S (6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D3T 2',3'-dideoxy-thymidine-5'-triphosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D3U 2-pcpa derivative +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O D3V 1a,20s-dihydroxyvitamin d3 +COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 D3W (2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine +COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO D3X n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide +c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O D3Y 3'-deoxy-3'-(d-tyrosylamino)adenosine +C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O D3Z 1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O D40 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3 D41 7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide +Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C D42 1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea +CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O D43 ~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate +CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3 D44 n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide +CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C D45 6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1 D46 n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl D47 (3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione +c1ccc2cc(c(cc2c1)O)O D48 naphthalene-2,3-diol +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O D49 2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl D4A (6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O D4B [(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O D4D 2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O D4F [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate +c1cnccc1SSc2ccncc2 D4G 4,4'-dipyridyl disulfide +Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4H (2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine +CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O D4I methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl D4J (2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one +COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 D4K (2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine +Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6 D4L 2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O D4M [(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate +C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N D4N 1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O D4O (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +c1cc(ccc1[C@@H](C(=O)O)N)O D4P (2s)-amino(4-hydroxyphenyl)acetic acid +c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N D4Q 2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide +CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC D4R (4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline +c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl D4S (6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one +CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O D4T 2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate +c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O D4U (3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +Cc1cccnc1O D4V 3-methylpyridin-2-ol +c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl D4W 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol +C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O D4X (3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one +c1cc2c(cc1F)[C@@H](C(=O)N2)O D4Y (3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one +c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4 D4Z 2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O D50 n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine +Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N D51 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N D52 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1ccc(cc1)CNCCS(=O)(=O)O D53 2-(benzylamino)ethanesulfonic acid +C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O D54 4-deoxy-l-threo-hex-5-ulosuronic acid +CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC D55 4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide +CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C D56 4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O D57 dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate +C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4 D58 4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide +Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl D59 n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide +c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+] D5B [8-(azaniumylmethyl)anthracen-1-yl]methylazanium +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N D5C n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N D5E paromamine +C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O D5F 3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one +CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2 D5G (2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O D5H 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid +c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3 D5I n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N D5M 2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F D5N (2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O D5O 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one +Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC D5Q 4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C D5T 1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione +COc1ccccc1C(=O)CCc2ccccc2C(=O)O D5U 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D5V (1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C D5W (2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide +CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D5X (2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate +COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N D5Y methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N D5Z (4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O D60 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid +c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3 D61 (2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N D62 (4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N D63 4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N D64 6-(4-methylphenyl)quinazoline-2,4-diamine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F D65 2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O D66 n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine +Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F D67 2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C D68 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione +[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O D69 [[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F D6A (3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol +CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC D6C [(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate +C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO D6D (1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O D6E (2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid +CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC D6F 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O D6G 2-deoxy-6-o-phosphono-alpha-d-glucopyranose +CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4 D6I 6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine +CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3 D6J (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide +C[C@@H]1C[C@H](OC(O1)(C)C)O D6K (4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O D6M n-hexadecanoyl-l-glutamic acid +C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81 D6N fev +C(=C\C(=O)O)\C(=O)NC=O D6O (~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid +C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O D6P (3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid +c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F D6Q 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC D6R 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O D6S (1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC D6T ~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5 D6U 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3 D6V 2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole +CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5 D6W 2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide +Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C D6X n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine +CC(C)(C)c1cc(no1)CC2(COC2)N D6Y 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine +c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F D6Z 2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D70 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4 D71 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl D72 (2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid +[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O D73 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate +Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D74 (1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O D75 daidzein-7-o-glucuronide +C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1 D76 (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide +C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O D77 methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC D78 (5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide +Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C D79 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol +COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N D7A n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5 D7B (s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C D7C 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone +CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2 D7D n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide +CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F D7E 4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide +CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C D7F 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC D7G ((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester +CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N D7H (s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O D7I 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate +CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2 D7J tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O D7K 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O D7L 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one +CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2 D7M tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F D7N 2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N D7P d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide +CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O D7Q 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid +Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7R 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C D7S (5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid +Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C D7T 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone +Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C D7U 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one +CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3 D7V (3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine +CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl D7W 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea +Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C D7X n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide +CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 D7Y tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate +C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl D7Z ptcl2(1(r),2(r)-dach) +CCCCc1nc2c(o1)c3ccccc3nc2N D80 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine +CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3 D81 s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N D82 beta-saxitoxinol +[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N D83 2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide +c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F D84 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one +C1CCN(CC1)C(=[NH2+])N D86 [azanyl(piperidin-1-yl)methylidene]azanium +CCCCc1cc2c3ccccc3nc(c2o1)N D87 2-butylfuro[2,3-c]quinolin-4-amine +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC D88 4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C D89 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one +C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O D8A (1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol +Cc1cccc(n1)C#Cc2cccc(c2)OC D8B 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine +Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C D8C n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide +CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O D8D 1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline +Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C D8E ~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide +CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] D8F (4-nitrophenyl) hexanoate +Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F D8G 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one +Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC D8H 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +COc1cccc(c1)CNCCS(=O)(=O)O D8I 2-[(3-methoxybenzyl)amino]ethanesulfonic acid +c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F D8J 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol +Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO D8K ~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide +CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O D8L (2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid +c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O D8M 2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide +CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2 D8N ~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide +Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C D8P [(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol +CN1C=C(C=CC1=O)C(=O)NCCN D8Q ~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1ccc2c(c1)ccc3c2sc(c3)C(=O)O D8S benzo[g][1]benzothiole-2-carboxylic acid +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O D8T d-arabinonic acid +[2H+] D8U deuterium(1+) +CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O D8V 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol +c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N D8W 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide +CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O D8X (2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate +c1cc(cc(c1)Cl)CCc2cccnc2N D8Y 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine +C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C D8Z artemether +C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D90 n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide +CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl D91 5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D92 n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 D93 n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7 D94 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine +C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C D95 artesunate +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O D96 n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid +c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5 D97 (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N D98 2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide +CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O D99 (3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl D9A n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid +CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C D9B ~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC D9C 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one +c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO D9D (1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O D9F (3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one +CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] D9G n-dodecyl-n,n-dimethylglycinate +c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N D9H 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide +Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2 D9K ~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine +CC(=O)NCCSC(=O)CCC(=O)O D9L 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid +c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4 D9M (1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC D9N methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate +C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O D9O 4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5 D9P 1-desthiobiotinylpyrene +CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 D9Q 1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide +CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4 D9S 2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide +CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N D9T ~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN D9U 1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9V (1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br D9W ~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 D9Y 1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea +c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DA 2'-deoxyadenosine-5'-monophosphate +c1cc(ncc1N)N DA1 pyridine-2,5-diamine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C DA2 ng,ng-dimethyl-l-arginine +C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N DA3 (2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid +C#Cc1cccc(c1)S(=O)(=O)N DA4 3-ethynylbenzenesulfonamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br DA5 5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br DA6 6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide +CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F DA7 5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide +CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O DA8 octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside +C(CS)NC(=O)CN=[N+]=[N-] DA9 2-azido-n-(2-sulfanylethyl)ethanamide +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N DAA 8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride +C(CN)[C@@H](C(=O)O)N DAB 2,4-diaminobutyric acid +CCCCCCC\C=C/C(=O)SCCNC(=O)C DAC 2-decenoyl n-acetyl cysteamine +c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N DAD 2',3'-dideoxyadenosine-5'-triphosphate +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAE o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride +C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O DAF 4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N DAG 4-amino-4,6-dideoxy-beta-d-glucopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O DAH 3,4-dihydroxyphenylalanine +CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO DAI (3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione +Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+] DAJ decarbamoyl-2,7-diaminomitosene +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O DAK 4-(n,n-dimethylamino)cinnamoyl-coa +C[C@H](C(=O)O)N DAL d-alanine +CNC(=C)C(=O)O DAM n-methyl-alpha-beta-dehydroalanine +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O DAN 2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid +CCCCCCCCCCCC(=O)O DAO lauric acid +c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N DAP 6-amidine-2-(4-amidino-phenyl)indole +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F DAQ o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride +C(C[C@H](C(=O)O)N)CNC(=[NH2+])N DAR d-arginine +C([C@H](C(=O)O)N)C(=O)O DAS d-aspartic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N DAT 2'-deoxyadenosine-5'-diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O DAU 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose +C(CC[NH3+])CC(=O)O DAV delta-amino valeric acid +c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N DAW n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide +C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br DAX 5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide +C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C DAY 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone +N[Zn]N DAZ diaminozinc +C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3 DB0 n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine +c1cc(c(c(c1)O)O)C(=O)N DB1 2,3-dihydroxybenzamide +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O DB3 (11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC DB4 (2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate +C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O DB5 [(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O DB6 (11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide +CCCCOC(=O)c1ccccc1C(=O)OCCCC DB7 dibutyl benzene-1,2-dicarboxylate +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N DB9 2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide +Cc1cccc(c1OCC(=O)O)C DBA (2,6-dimethyl-phenoxy)-acetic acid +CC[C@H](C(=O)O)N DBB d-alpha-aminobutyric acid +C([C@@H]1[C@H](OC(O1)O)CS)S DBC (4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol +c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3 DBD 7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +c1cc(ccc1C(=O)c2ccc(cc2)O)O DBE bis(4-hydroxyphenyl)methanone +c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O DBF dibenzofuran-4,6-dicarboxylic acid +c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O DBG 3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester +c1cc(c(c(c1)O)O)C(=O)O DBH 2,3-dihydroxy-benzoic acid +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O DBI phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c2c(c1)OCCO2)CO DBJ 2,3-dihydro-1,4-benzodioxin-5-ylmethanol +CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C DBK (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O DBM 9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine +c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6 DBN 6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole +Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O DBO n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide +c1cc(cc(c1)N)CN DBP 1,3-diaminobenzyl phenylalanine +c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O DBQ debromohymenialdisine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DBR adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O DBS 2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid +CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O DBT 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione +C\C=C(\C(=O)O)/N DBU (2z)-2-aminobut-2-enoic acid +Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O DBV 15,16-dihydrobiliverdin +c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O DBW 4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol +c1cc(c(cc1O)S(=O)(=O)O)O DBX 2,5-dihydroxybenzenesulfonic acid +c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N DBY 3,5 dibromotyrosine +c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N DBZ 3-(benzoylamino)-l-alanine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DC 2'-deoxycytidine-5'-monophosphate +CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N DC0 n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine +CC1(CC(=O)CC(=O)C1)C DC1 5,5-dimethylcyclohexane-1,3-dione +CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O DC2 n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine +Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N DC3 (2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine +c1ccc2c(c1)c3cc(ccc3o2)Cl DC4 2-chlorodibenzofuran +c1ccc(cc1)c2c(cccc2Cl)Cl DC5 2,6-dichlorobiphenyl +CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O DC7 4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol +c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O DC8 (3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCA desulfo-coenzyme a +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F DCB 2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside +CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O DCC dodecyl-coa +CCN(CC)C(=S)S DCD diethylcarbamodithioic acid +C(CCl)Cl DCE 1,2-dichloroethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O DCF 2'-deoxycoformycin +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DCG 2'-deoxy-guanosine-5'-monophosphate +CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4 DCH 3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester +CC[C@H](C)CN DCI 2-methyl-butylamine +C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O DCJ n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium +C[N+](C)(C)C[C@H](CC(=O)O)O DCK (2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium +CC(C)C[C@@H](CO)N DCL 2-amino-4-methyl-pentan-1-ol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DCM 2'-deoxycytidine-5'-monophosphate +c1cc(ccc1Oc2ccc(cc2O)Cl)Cl DCN diclosan +C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O DCO 3,3-dichloro-2-phosphonomethyl-acrylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O DCP 2'-deoxycytidine-5'-triphosphate +CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C DCQ 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione +CCCCCCCCCCCCCCCCCCCC(=O)O DCR icosanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O DCS d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DCT 2',3'-dideoxycytidine 5'-triphosphate +C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N DCU 3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium +CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O DCV [(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid +C1CCC(CC1)NC(=O)NC2CCCCC2 DCW dicyclohexylurea +CCCCCCCCCCP(=O)(C)C DCX decyl(dimethyl)phosphine oxide +C([C@H](C(=O)O)N)S DCY d-cysteine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O DCZ 2'-deoxycytidine +c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F DD1 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N DD2 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine +C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N DD3 5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine +Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O DD4 (3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol +c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F DD5 (2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol +CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C DD6 (3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4 DD7 (1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5 DD8 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one +CCCCCCCCC DD9 nonane +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O DDA beta-d-olivopyranose +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O DDB 3-methyl-2,6-dideoxy-beta-d-allopyranose +c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O DDC 7-hydroxy-2-phenyl-chroman-4-one +C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O DDD (5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid +C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N DDE {3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium +c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O DDF 5,10-dideazatetrahydrofolic acid +c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N DDG 2',3'-dideoxy-guanosine-5'-monophosphate +Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C DDH [7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron +c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N DDI spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci) +COc1cc(ccc1N)c2ccc(c(c2)OC)N DDJ 3,3'-dimethoxybiphenyl-4,4'-diamine +C(CC[C@@H](C[SeH])C(=O)O)CCN DDK (2r)-7-amino-2-(selanylmethyl)heptanoic acid +C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O DDL 2,6-dideoxy-beta-d-galactopyranose +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DDM 2-hydroxymethyl-piperidine-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O DDN 3,4-dihydro-2'-deoxyuridine-5'-monophosphate +C(CCO)C[C@H](C(=O)O)N DDO 6-hydroxy-d-norleucine +c1(c(nc(nc1O)N)O)N DDP 2,4-diamino-4,6-dihydroxypyrimidine +CCCCCCCCCC[N+](C)(C)[O-] DDQ decylamine-n,n-dimethyl-n-oxide +CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC DDR (2s)-3-hydroxypropane-1,2-diyl didecanoate +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N DDS 2',3'-dideoxyadenosine triphosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O DDT n,o-didansyl-l-tyrosine +C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O DDU 2'-5'dideoxyuridine +c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O DDV (1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol +C(CC[C@@H](CS)C(=O)O)CCN DDW (2r)-7-amino-2-(sulfanylmethyl)heptanoic acid +C1=C[C@H](O[C@@H]1COP(=O)(O)O)O DDX 2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate +C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N DDY 2',3'-dideoxycytosine-5'-diphosphate +[C@H](C(O)O)(C(=O)O)N DDZ 3,3-dihydroxy l-alanine +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN DE0 1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine +CCCCCCCCCCO DE1 decan-1-ol +CC(=O)[C@H](CO)O DE2 1-deoxy-l-erythrulose +CCN(CC)C(=O)c1cccc(c1)C DE3 n,n-diethyl-3-methylbenzamide +c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO DE4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol +c1csc(n1)NC(=O)CN DE5 2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN DE6 1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO DE7 (2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol +Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C DE9 3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid +c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N DEA d-eritadenine +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C DEB 6-deoxyerythronolide b +C(CCCCC(=O)O)CCCC(=O)O DEC sebacic acid +CN(C)CCO[P@@](=O)(O)OP(=O)(O)O DED 2-dimethylamino-ethyl-diphosphate +CCOC(=O)c1c([nH]nc1C)C DEE 3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester +CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C DEF deferoxamine mesylate fe(iii) complex +CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DEG butyl alpha-d-mannopyranoside +COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O DEH 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium +CS\C=C(\C(=O)O)/O DEI (2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid +CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3 DEJ tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO DEL 4-deoxylactose +CCCCCCCCCCOCO DEM decyloxy-methanol +c1ccc2c(c1)CC=C2 DEN indene +CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O DEO 2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid +CCOP(=O)OCC DEP diethyl phosphonate +Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N DEQ dequalinium +C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DER d-4-phosphoerythronic acid +CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O DES diethylstilbestrol +CCCCCCCCCCC[N+](C)(C)[O-] DET undecylamine-n,n-dimethyl-n-oxide +Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O DEU co(iii)-(deuteroporphyrin ix) +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3 DEV tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1csc2c1CN(CC2)C(=O)CN DEW 2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C DEX dexamethasone +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N DEY (2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide +C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O DEZ 4-phospho-d-erythronate +c1ccc(cc1)c2ccc(cc2F)CC(=O)O DF0 (2-fluorobiphenyl-4-yl)acetic acid +C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O DF1 (2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O DF2 (2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol +c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5 DF3 n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide +CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O DF4 (3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate +COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N DF5 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium +COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 DF6 n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide +c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO DF7 [4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol +c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N DF8 (2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N DF9 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc(cc1)C(c2ccccc2)C(=O)O DFA diphenylacetic acid +c1cc(c(c(c1)F)F)CO DFB 2,3-difluorobenzyl alcohol +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O DFC 2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate +CCCCCCCCCCOC=O DFD decyl formate +CC(OCC(F)(F)F)(F)F DFE 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N DFF 4-benzoyl-d-phenylalanine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DFG 2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate +CC(c1ccccc1)(c2ccccc2)O DFH 1,1-diphenylethanol +CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N DFI 2,2-difluorostatine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O DFJ n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N DFK d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide +c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O DFL 2-(4-hydroxy-phenyl)-chroman-4-one +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N DFM n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide +Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O DFN 3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N DFO 2,2-difluoro-3-hydrostatine +CC(C)OP(=O)OC(C)C DFP diisopropyl phosphonate +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC DFQ (2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide +C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O DFR 3-deoxy-3-methyl-beta-d-fructofuranose +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F DFS 2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide +Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DFT 1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate +C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O DFU (2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol +c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O DFV 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O DFW n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine +C1[C@H]([C@@H]([C@H](CO1)F)O)O DFX 1,5-anhydro-2-deoxy-2-fluoro-d-xylitol +CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4 DFY (5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO DFZ 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DG 2'-deoxyguanosine-5'-monophosphate +[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O DG0 4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid +c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O DG1 (4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide +C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O DG2 (2r)-2,3-diphosphoglyceric acid +c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N DG3 2'-3'-dideoxyguanosine-5'-triphosphate +C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O DG4 phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate +C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O DG6 2-deoxy-glucitol-6-phosphate +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4 DG7 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N DG8 2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate) +CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N DG9 5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC DGA diacyl glycerol +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 DGB (2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O DGC 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC DGD digalactosyl diacyl glycerol (dgdg) +C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O DGF (2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC DGG 1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol +c1cc(ccc1[C@H](C(=O)O)N)O DGH (2r)-amino(4-hydroxyphenyl)acetic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGI 2'-deoxyguanosine-5'-diphosphate +C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O DGJ (2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol +C(CC(=O)O)[C@H](C(=O)O)N DGL d-glutamic acid +[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O DGM d-glucopyranosylium +C(CC(=O)N)[C@H](C(=O)O)N DGN d-glutamine +C1=CO[C@@H]([C@H]([C@@H]1O)O)CO DGO d-glucal +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N DGP 2'-deoxyguanosine-5'-monophosphate +[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O DGQ (s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid +c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O DGR (e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid +C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O DGS 3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N DGT 2'-deoxyguanosine-5'-triphosphate +C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O DGU d-galacturonic acid +c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl DGV 1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide +Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl DGW (5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O DGX digoxin +C([C@H](C(=O)O)O)O DGY (2r)-2,3-dihydroxypropanoic acid +C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O DGZ n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide +COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O DH1 2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine +c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DH2 (2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N DH3 2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine +CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C DH4 2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N DH5 n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc(cc1)/C=C/C(=O)N DH6 cinnamide +CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C DH7 (6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene +C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4 DH8 (2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate +CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O DH9 (2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid +C=C(C(=O)O)N DHA 2-amino-acrylic acid +c1cc(c(cc1C(=O)O)O)O DHB 3,4-dihydroxybenzoic acid +c1cc(c(cc1\C=C\C(=O)O)O)O DHC caffeic acid +C(C(=O)C(=O)O)C(=O)C(=O)O DHD 2,4-dioxo-pentanedioic acid +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O DHE heme d +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N DHF dihydrofolic acid +CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO DHG phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester +C(CCC(O)O)C[C@@H](C(=O)O)N DHH (s)-2-amino-7,7-dihydroxyheptanoic acid +c1c([nH+]c[nH]1)C[C@H](C(=O)O)N DHI d-histidine +C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O DHJ 4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid +C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O DHK 3-dehydroshikimate +C(CS)N DHL 2-amino-ethanethiol +C[C@H](CCCC(C)(C)O)C=C DHM 2,6-dimethyl-7-octen-2-ol +C(C[C@@H](C(=O)O)N)CO DHN 5-hydroxy norvaline +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DHO deoxycholic acid +CCCCCCCCCCC1=C(C(=O)NC1=O)O DHP 3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline +Cc1cccc2c1CCNC2=O DHQ 3,4-dihydro-5-methyl-isoquinolinone +c1cc(ccc1[C@@H](C#N)O)O DHR (2s)-hydroxy(4-hydroxyphenyl)ethanenitrile +C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O DHS 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DHT 5-alpha-dihydrotestosterone +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O DHU 5,6-dihydrouridine-5'-phosphate +CC(C)([C@H](C(=O)O)N)O DHV 3-hydroxy-d-valine +c1cc(c(cc1CC(=O)O)O)O DHY 2-(3,4-dihydroxyphenyl)acetic acid +C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O DHZ 3,4-dihydro-1h-pyrimidin-2-one nucleoside +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O DI 2'-deoxyinosine-5'-monophosphate +CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O DI0 dirithromycin +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C DI1 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI2 ac-(d)phe-pro-borolys-oh +B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI3 ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh +B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI4 ac-(d)phe-pro-borohomolys-oh +B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O DI5 ac-(d)phe-pro-borohomoornithine-oh +C(CC(=O)O)[C@H]1C(=O)NC(=O)N1 DI6 3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid +Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O DI7 2,6-dimethyl-l-tyrosine +c1ccc2c(c1)C[C@H](NC2)C(=O)O DI8 (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid +C1CCC(C1)OP(=O)(N)OC2CCCC2 DI9 dicyclopentyl phosphoramidate +C(CCCCN)CCCN DIA octane 1,8-diamine +CN(C)CCCN DIB 3-amino-(dimethylpropylamine) +c1ccc2c(c1)C(=C(OC2=O)Cl)Cl DIC 3,4-dichloroisocoumarin +c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N DID 4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide +CCc1cccc(c1O)CC DIE 2,6-diethylphenol +c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl DIF 2-[2,6-dichlorophenyl)amino]benzeneacetic acid +C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DIG 2,5-dideoxy-2,5-imino-d-glucitol +c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO DIH 7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one +CC(C)OP(=O)(C)OC(C)C DII methylphosphonic acid diisopropyl ester +CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C DIK 5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid +CC[C@@H](C)[C@H](C(=O)O)N DIL d-isoleucine +Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O DIM diimidazole lexitropsin +c1cc2cc(ccc2c(c1)O)O DIN 1,6-dihydroxy naphthalene +C1COCCO1 DIO 1,4-diethylene dioxide +CCCCCNCCCCC DIP dipentylamine +C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O DIQ 2-methyl-decahydro-isoquinoline-3-carboxylic acid +C([C@@H](C(=O)O)N)N/C(=N/O)/N DIR 3-{[(e)-amino(hydroxyimino)methyl]amino}alanine +O DIS disordered solvent +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC DIT ditercalinium +c1c(cc(c(c1C(=O)O)O)I)I DIU 2-hydroxy-3,5-diiodo-benzoic acid +CC[C@](C)(C(=O)O)N DIV d-isovaline +CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C DIW 1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium +CNCCCC1CCCC1 DIX methyl(cyclopentyl-propyl)amine +CCCC[C@@H]1CCCNC1 DIY 5-butylpiperidine +c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl DIZ (4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid +c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4 DJ1 tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N DJ2 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O DJ3 5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F DJ4 [2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol +c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl DJ6 2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide +Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl DJ8 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea +COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4 DJ9 2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C DJB 3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F DJC 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal +Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N DJD 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O DJE 2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid +[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O DJF [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F DJH 2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O DJJ 5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br DJK n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide +CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+] DJL (1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium +Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C DJM 2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide +CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO DJN n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO DJO (phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate +c1c(cnc(n1)O)F DJP 5-fluoropyrimidin-2-ol +c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7 DJQ 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC DJR (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate +CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O DJS 2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl DJT (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3 DJU n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O DJV n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F DJW 1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one +CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4 DJX n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine +[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N DJY 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N DJZ 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile +C[C@H](Cc1ccccc1)O DK0 (2~{r})-1-phenylpropan-2-ol +c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl DK1 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid +c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O DK2 2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid +CCCCCCCCC[C@@H](CC(=O)OC)O DK3 methyl (3s)-3-hydroxydodecanoate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F DK4 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F DK5 1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +CCC(O)O DK6 propane-1,1-diol +CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O DK7 n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C DK8 2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione +CCCCC(O)O DK9 pentane-1,1-diol +CCCCCCCCCC(=O)O DKA decanoic acid +c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O DKD (2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid +CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O DKE fcmaytansine +CCCCCC(O)O DKF hexane-1,1-diol +Cc1ccnnc1 DKG 4-methylpyridazine +Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C] DKH 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide +c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F DKI 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide +C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C DKJ n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide +[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N DKK n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide +CCCCCCC(O)O DKL heptane-1,1-diol +CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O DKM 5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid +C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C DKN disorazole z +CCCCCCCC(O)O DKO octane-1,1-diol +CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O DKP 2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +[H]/N=C(/c1ccc(cc1)Cl)\N DKQ 4-chloranylbenzenecarboximidamide +Cc1ccc(cc1)CNC(=O)c2ccc[nH]2 DKR n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl DKS 2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O DKT 4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O DKU 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl DKV 2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O DKW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKX 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O DKY 1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O DKZ 4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one +Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl DL0 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one +COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4 DL1 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl DL2 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one +CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 DL3 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C DL4 (14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N DL5 spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O DL6 n-(azidoacetyl)-beta-d-glucopyranosylamine +C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C DL7 (5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid +c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O DL8 n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine +c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO DL9 (e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol +C[C@H](C(=O)O)O DLA d-lactic acid +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O DLB 3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid +C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O DLC (3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O DLD 2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside +CC(C)C[C@H](C(=O)O)N DLE d-leucine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O DLF 2-deoxy-alpha-l-fucopyranose +CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O DLG hexyl 3-deoxy-beta-d-galactopyranoside +c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl DLH 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F DLI (3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DLJ 2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC DLK 2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione +c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O DLL 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine +c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O DLM 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium +CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N DLN 3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol +CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC DLP 1,2-dilinoleoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4 DLR (2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C DLS di-acetyl-lysine +C[N+](C)(CCCC(=O)O)CCF DLT 3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium +C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O DLU (4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide +CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O DLW (5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one +C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C DLX 2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione +C(CCN)C[C@H](C(=O)O)N DLY d-lysine +CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C DLZ 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol +CN(C)CCCC[C@@H](C(=O)O)N(C)C DM0 n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM1 daunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O DM2 doxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O DM3 6-deoxydaunomycin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O DM4 1-o-demethyl-6-deoxydoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O DM5 idarubicin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O DM6 4'-epidoxorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I DM7 4'-deoxy-4'-iododoxorubicin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O DM8 2'-bromo-4'-epidaunorubicin +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O DM9 n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin +CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C DMA dimethylallyl diphosphate +Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O DMB 2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid +CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O DMC 3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid +Cc1cc2c(cc1C)nc[nH]2 DMD 5,6-dimethylbenzimidazole +C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C DME decamethonium ion +CN(C)C=O DMF dimethylformamide +CN(C)CC(=O)O DMG n,n-dimethylglycine +CN(C)C(=O)C[C@@H](C(=O)O)N DMH n4,n4-dimethyl-asparagine +Cc1[nH+]ccn1C DMI 2,3-dimethylimidazolium ion +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DMJ 1-deoxymannojirimycin +CC(C)([C@@H](C(=O)O)N)C(=O)O DMK 3,3-dimethyl aspartic acid +[CH3].[CH3] DML terminal dimethyl +C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O DMM 3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin +CNC DMN dimethylamine +C(CC(C(F)F)(C(=O)O)N)CN DMO alpha-difluoromethylornithine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O DMP [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O DMQ [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone +C([C@H](C(=O)O)O)C(=O)O DMR 2-hydroxy-succinic acid +CS(=O)C DMS dimethyl sulfoxide +C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O DMT 3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid +CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O DMU decyl-beta-d-maltopyranoside +CC[C@](C)([C@H](C(=O)O)O)O DMV 2,3-dihydroxy-valerianic acid +CC1=C(C(=O)c2ccccc2C1=O)C DMW 2,3-dimethyl-1,4-naphthoquinone +C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1 DMX 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O DMY distamycin a +Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3 DMZ 4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)O DN unknown 2'-deoxynucleotide +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4 DN0 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide +CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN1 3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O DN2 3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid +CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 DN3 3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O DN4 [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DN5 (2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3 DN6 n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +c1ccnc(c1)Oc2ccc(cc2)C(=O)O DN7 4-[(pyridin-2-yl)oxy]benzoic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3 DN8 3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O DN9 (2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)O DNA 1,4-dihydroxy-2-naphthoic acid +c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N DNB (2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol +c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-] DNC 3,5-dinitrocatechol +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O DND nicotinic acid adenine dinucleotide +CCCC[C@H](C(=O)O)N DNE d-norleucine +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O DNF 2,4-dinitrophenol +CCCC[C@H](C(=O)O)NC=O DNG n-formyl-d-norleucine +C1CC[C@H]([C@@H](C1)N)N DNH 1r,2r-diaminocyclohexane +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O DNJ 1-deoxy-nojirimycin +CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DNK (2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +C(CCC=O)CCN DNL 6-amino-hexanal +CCCC[C@H](C(=O)O)NC DNM n-methyl-d-norleucine +C[C@@H]([C@@H](CCCCCC(=O)O)N)N DNN 7,8-diamino-nonanoic acid +C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O DNO d-mannose +C([C@@H](C(=O)O)N)[NH3+] DNP 3-amino-alanine +C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-] DNQ 6,7-dinitroquinoxaline-2,3-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O DNR 2'-deoxy-n3-protonated cytidine-5'-monophosphate +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N DNS n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine +CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] DNT 2-[1-methylhexyl]-4,6-dinitrophenol +Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O DNV 2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N DNW 3-[(2,4-dinitrophenyl)amino]-l-alanine +c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-] DNX 3,4-dinitrophenol +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl DNY 2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N DNZ (2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DO1 2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +C(CC(C=O)(O)O)[C@@H](C(=O)O)N DO2 5,5-dihydroxy-6-oxo-l-norleucine +C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O DO3 10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid +C(CC(=O)C(=O)O)C=O DO4 2,5-dioxopentanoic acid +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O DO5 (2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC DO6 (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O DO7 [(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O DO8 3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid +c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4 DO9 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea +C(CCCCCC(=O)O)CCCCCN DOA 12-amino-dodecanoic acid +c1cc(c(cc1O)O)C(=O)O DOB 2,4-dihydroxybenzoic acid +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N DOC 2',3'-dideoxycytidine-5'-monophosphate +[2H]O[2H] DOD deuterated water +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO DOE (s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-] DOF (s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O DOG digoxigenin +[C@H]([C@@H](C(=O)O)O)(C(=O)O)N DOH beta-hydroxy aspartic acid +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DOI 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine +C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3 DOJ n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea +CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 DOK (2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one +CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C DOL 5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O DOM 2'-deoxymaltose +C(CC(=O)CN=N)[C@@H](C(=O)O)N DON 6-diazenyl-5-oxo-l-norleucine +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5 DOO 6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine +CCCCCCCCOP(=O)(O)OCCCCCCCC DOP dioctylphosphate +C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O DOQ (2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid +C1[C@H](NC(=O)NC1=O)C(=O)O DOR (4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DOS delta-bis(2,2'-bipyridine)imidazole osmium (ii) +c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N DOT 3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate +CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N DOV 1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O DOW (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside +C1COCCO1 DOX dioxane +c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O DOY [(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid +CN(C)[Zn]O DOZ (dimethylamino)(hydroxy)zinc' +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O DP [(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C DP0 disopyramide +C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-] DP1 l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide +C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N DP2 l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide +C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-] DP3 n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine +C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-] DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O DP5 1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop yranose +C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O DP6 (3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid +[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C DP7 ac-(d)phe-pro-boroarg-oh +CN(C)CCOc1ccc(cc1)Oc2ccccc2 DP8 n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine +C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N DP9 l-n(omega)-nitroarginine-(4r)-amino-l-proline amide +COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O DPA 4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate) +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O DPB (s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C DPC 5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid +CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3 DPD n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine +CCCCCCCCCCC[P@@H](=O)OC DPE n-undecanylphosphonate methyl ester group +CCOP(=O)(O)OCC DPF diethyl hydrogen phosphate +CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C DPG phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester +C[C@@H](Cc1ccccc1)C(=O)O DPH deamino-methyl-phenylalanine +CCOP(=S)(O)OCC DPJ o,o-diethyl hydrogen thiophosphate +C[C@H](Cc1ccccc1)N(C)CC=C DPK deprenyl +C1[C@H](NCC1=O)C(=O)O DPL 4-oxoproline +Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O DPM 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +c1ccc(cc1)C[C@H](C(=O)O)N DPN d-phenylalanine +[O-]P(=O)([O-])OP(=O)([O-])[O-] DPO diphosphate +C([C@@H](C(=O)O)N)N DPP diaminopropanoic acid +C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O DPQ (s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid +C1C[C@@H](NC1)C(=O)O DPR d-proline +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O DPS 3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid +Cc1ccnc2c1ccc3c2nccc3C DPT 4,7-dimethyl-[1,10]phenanthroline +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N DPU mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid +CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C DPV dodecyl 2-(trimethylammonio)ethyl phosphate +CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C DPW decyl 2-trimethylazaniumylethyl phosphate +Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C DPX mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester +c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O DPY 2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate +c1c(cc(c2c1C(=O)NNC2=O)N)N DPZ 3,5-diaminophthalhydrazide +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O DQ0 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid +CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N DQ1 ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate +c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DQ2 [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl DQ3 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O DQ5 2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol +Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ6 (2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3 DQ7 (2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid +CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN DQ8 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O DQ9 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid +C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O DQA 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid +c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N DQB 4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid +CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F DQD n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O DQF 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid +c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl DQG 2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid +c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O DQH (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one +CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3 DQJ n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide +c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O DQK (2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid +c1c(cc2c(c1O)nc(s2)N)S DQL 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DQM (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC1=C(C(=O)C(=C(C1=O)C)C)C DQN duroquinone +c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl DQO 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br DQP {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O DQQ 2,5-dideoxy-2,5-imino-d-mannitol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O DQR beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C DQS 5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O DQT methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside +c1cc2c(cc1N)c(nc(n2)N)O DQU 2,6-diamino-3h-quinazolin-4-one +c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O DQV [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +C[C@@H](COC[C@H](C)O)O DQW (2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol +c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F DQX 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline +CS(C)CCC(=O)O DQY 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid +c1cc(ccc1CCC(=O)O)Br DQZ 3-(4-bromophenyl)propanoic acid +CCCCCC[N+](C)(C)CO DR0 n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium +Cn1c2ccccc2cc-3nc4ccccc4c13 DR1 5-methyl-5h-indolo[3,2-b]quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O DR2 6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose +CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O DR3 6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O DR4 methyl 9-(beta-d-talopyranosyloxy)nonanoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O DR5 methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO DR6 alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl) +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC DR7 (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester +CC#CC#CC#C[N+](C)(C)C DR8 n,n,n-trimethylhepta-1,3,5-triyn-1-aminium +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC DR9 1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O DRA 11-deoxy-beta-rhodomycin +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 DRB delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N DRC 9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5 DRD 2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid +C(CCCNCCCCCCN)CCN DRE n-(6-aminohexyl)hexane-1,6-diamine +CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O DRF (2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid +c1ccc-2c(c1)CCc3c2nnc(c3)N DRG 5,6-dihydro-benzo[h]cinnolin-3-ylamine +CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRH (2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC DRI 2,6-dideoxy-4-o-methyl-beta-d-glucopyranose +CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2 DRJ (2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid +c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O DRK 3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one +CC1=NC2=C(CSCC2)C(=O)N1 DRL 2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one +C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O DRM {[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid +[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C DRN bisindolylmaleimide ix +Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl DRO 1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide +c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DRP 2-deoxyribofuranosyl-pyridine-5'-monophosphate +CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C DRQ (9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C DRR (9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O DRS (9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O DRT 2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37 DRU delta-bis(2,2'-bipyridine)imidazole ruthenium (ii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N DRV [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N DRW (2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid +c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O DRX [(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid +CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5 DRY [(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid +C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O DRZ 3',4'-dihydroxy-pentanal-5'-phosphate +C1[C@H](C(=NO1)OP(=O)(O)O)N DS0 [(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate +c1c(cnc(n1)N)O DS1 2-aminopyrimidin-5-ol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O DS2 {4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid +CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O DS3 5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid +CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O DS4 [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid +CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS5 (4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid +CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O DS6 (4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid +Cc1cc(c(n1C)C)C(=O)O DS7 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O DS8 (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F DS9 (2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one +C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DSA 4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O DSB 4,7-dioxosebacic acid +CCCCCCCCCCCCS(=O)(=O)[O-] DSC dodecanesulfonate ion +C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N DSD 7-(carboxyamino)-8-amino-nonanoic acid +CN[C@H](CO)C(=O)O DSE n-methyl-d-serine +[C@H](C(F)(F)F)(OC(F)F)F DSF (2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane +C([C@H](C(=O)O)N)C(=O)N DSG d-asparagine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N DSH 5'-s-(3-aminopropyl)-5'-thioadenosine +C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4 DSI 4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +CC(=O)c1ccc(cc1O)N DSJ 1-(4-amino-2-hydroxyphenyl)ethan-1-one +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O DSK (2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name) +CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C DSL mono-trans, octa-cis decaprenyl-phosphate +CNCCCN1c2ccccc2CCc3c1cccc3 DSM 3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine +C([C@H](C(=O)O)N)O DSN d-serine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 DSO adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide +C([C@H](C(=O)O)N)C(=O)O DSP d-aspartic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O DSQ (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S DSR 2,6-dideoxy-4-thio-beta-d-allopyranose +CSC[S@@](=O)C DSS methyl methylsulfinylmethyl sulfide +CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C DST dimethylallyl s-thiolodiphosphate +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O DSU ((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate +CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 DSV n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine +CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC DSX batimastat +CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O DSY 5-(dimethylamino)-2-naphthalenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N DSZ 5'-o-(l-alpha-aspartylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O DT thymidine-5'-monophosphate +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DT0 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine +c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N DT1 4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N DT2 4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S DT3 (2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate +c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N DT4 4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide +c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N DT5 4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide +CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO DT6 2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose +COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N DT7 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1 DT8 n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide +C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC DT9 (1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N DTA (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol] +C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O DTB 6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid +c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O DTC bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone] +C1[C@@H]([C@H](CSS1)O)O DTD dithiane diol +c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N DTE 7-cl-d-tryptophan +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O DTF 4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid +CC(C)(C)CC(=O)O DTG des-amino t-butyl glycine +C[C@@H]([C@H](C(=O)O)N)O DTH d-threonine +Cc1csc[n+]1C DTI 3,4-dimethylthiazolium ion +CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C DTJ 4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O DTK (2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol +C([C@@H]([C@H](CO)O)O)O DTL l-treitol +CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N DTM 2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine +[O-]S(=O)S(=O)[O-] DTN dithionite +C([C@H]([C@@H](CSO)O)O)S DTO 1-hydroxysulfanyl-4-mercapto-butane-2,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N DTP 2'-deoxyadenosine 5'-triphosphate +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O DTQ 4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N DTR d-tryptophan +c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O DTS 2-{[(s)-phenylsulfinyl]methyl}benzoic acid +C([C@@H]([C@H](CS)O)O)S DTT 2,3-dihydroxy-1,4-dithiobutane +C([C@H]([C@H](CS)O)O)S DTU (2r,3s)-1,4-dimercaptobutane-2,3-diol +C([C@H]([C@@H](CS)O)O)S DTV (2s,3s)-1,4-dimercaptobutane-2,3-diol +c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DTW [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O DTX digitoxigenin +c1cc(ccc1C[C@H](C(=O)O)N)O DTY d-tyrosine +S[Zn]S DTZ zinc(ii)hydrogensulfide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O DU 2'-deoxyuridine-5'-monophosphate +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1 DU0 2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol +CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F DU1 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride +Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU2 2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine +c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O DU3 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine +C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4 DU4 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine +c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3 DU5 ~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide +c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4 DU6 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea +Cc1cc(nc(n1)N)Cl DU7 4-chloro-6-methylpyrimidin-2-amine +c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N DU8 3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C DU9 6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O DUA 2',5'-dideoxy-5'-(tritylamino)uridine +c1cc(c(c(c1)Cl)O)Cl DUB 2,6-dichlorophenol +C1CNC(=O)NC1=O DUC dihydropyrimidine-2,4(1h,3h)-dione +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O DUD deoxyuridine-5'-diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN DUE (2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid +c1cc(c(cc1OCC=O)Cl)F DUG (3-chloro-4-fluorophenoxy)acetaldehyde +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F DUH 2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide +C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1 DUK (2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide +CCSc1cccc(c1)c2ccc(s2)C(=O)N DUL 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide +* DUM dummy atoms +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O DUN 2'-deoxyuridine 5'-alpha,beta-imido-diphosphate +C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC DUO 4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O DUP 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO DUQ (2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O DUR 2'-deoxyuridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O DUS 2'-deoxy-5'-o-sulfouridine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O DUT deoxyuridine-5'-triphosphate +[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN DUU 1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine +C#CCCC[C@H](C=O)C(=O)O DUV (2r)-2-methanoylhept-6-ynoic acid +c1ccc(cc1)C[C@H](C=O)C(=O)O DUW (2r)-2-methanoyl-3-phenyl-propanoic acid +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F DUX 2,3-deoxy-3-fluoro-5-o-trityluridine +CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O DUY (2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid +c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O DUZ 5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN DV0 1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O DV1 (3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O DV2 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide +C1CO[C@@H]([C@H]1O)COP(=O)(O)S DV3 1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol +CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C DV4 4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV5 (2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O DV6 [(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium +c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N DV7 l-(7-hydroxycoumarin-4-yl)ethylglycine +Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O DV8 ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide +C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N DV9 (2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid +CC(C)[C@H](C(=O)O)N DVA d-valine +C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O DVC (2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1 DVD n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C DVE obtusifoliol +C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO DVG divanadate glycerol ester +C=C[C@@H]1CC[C@@H]([C@H](C1)O)O DVH (1s,2s,4r)-4-ethenylcyclohexane-1,2-diol +CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1 DVJ n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide +C1CN(CCN1CCCCN)CCO DVK 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol +Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O DVL 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde +CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N DVM acetylsisomicin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N DVN [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DVP methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate +C1CN(CCN1CCO)CCO DVQ 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol +c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O DVR 3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid +[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-] DVT decavanadate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C DVW five-coordinate platinum(ii) compound +[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F DVX [(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate +c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N DVZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium +Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C DW0 1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione) +C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O DW1 ruthenium pyridocarbazole +c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O DW2 ru-pyridocarbazole-2 +C(C=O)O DW3 2-oxidanylethanal +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW4 benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate +CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C DW5 five-coordinate platinum(ii) compound +c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO DW7 benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate +CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O DW8 [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O DW9 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol +COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F DWA (4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine +COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl DWB (4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O DWC pyridocarbazole cyclopentadienyl os(co) complex +CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 DWD (4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWE [2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F DWF n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5 DWG (6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N DWH methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate +C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5 DWJ (5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWK [2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5 DWM (7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N DWN (2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4 DWP (6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O DWQ [2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid +C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5 DWS 3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid +Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DWT 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2 DWV (5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one +B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWW [2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWX [3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O DWY [4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C DWZ (2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O DX [(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O DX0 steviolmonoside +CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C DX1 6,7-bis(1-methylethyl)pteridine-2,4-diamine +c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N DX2 6-phenylpteridine-2,4,7-triamine +CC1=Nc2c(nc(nc2NC1(C)C)N)N DX3 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine +c1[nH]c2c(n1)C(=S)NC(=N2)N DX4 2-amino-1,9-dihydro-6h-purine-6-thione +C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O DX5 d-xylitol-5-phosphate +c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N DX6 2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX7 2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N DX8 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O DX9 (2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid +CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC DXA 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene +Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC DXB 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DXC (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXD (1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +COCCOC DXE 1,2-dimethoxyethane +CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O DXF (2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O DXG 4-deoxyglucarate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F DXH 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(=CCC/C(=C/C=C/C(=O)C)/C)C DXJ (3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one +Cn1c2c(cn1)c(nc(n2)c3cccnc3)N DXK 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine +[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O DXL d-xylaric acid +Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DXM n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O DXN (1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol +Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C DXO 2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine +CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O DXP 1-deoxy-d-xylulose-5-phosphate +C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C DXQ 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N DXR 3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C DXS 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide +C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O DXT (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O DXU (3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O DXV 2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3 DXW 6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CC(C(=O)O)C(=O)O DXX methylmalonic acid +CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXY n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O DXZ n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid +[Dy+2] DY dysprosium ion +C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O DY1 [(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid +Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O DY2 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol +Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO DY3 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol +Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F DY4 n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide +Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F DY5 (2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one +c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O DY6 2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid +Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br DY7 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium +c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2 DY8 morpholinohistidine +C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O DY9 fluostatin c +C(=C(/C(=O)O)\N)\C(=O)O DYA didehydroaspartate +B1(OCCO1)OCCCC[NH3+] DYB 4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium +c1cc(ccc1c2csc3n2ccn3)Br DYC 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole +C[C@@H](CC[C@H](C)O)O DYD (2s,5s)-hexane-2,5-diol +CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O DYF [(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O DYG (3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid +CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O DYH (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O DYJ 1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline +CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5 DYK n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine +C=CC[C@H](C(=O)O)N DYL (2r)-2-aminopent-4-enoic acid +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O DYM (2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO DYN 5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine +CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N DYP 1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one +c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N DYR 2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN DYS s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine +c1c([nH]cn1)C[C@@H](C(=O)O)Cl DYT (2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C DYU ~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O DYV 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline +C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O DYW (2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl DYX 1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide +c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F DYY 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3 DYZ 7-ethyl-3-(phenylmethyl)purine-2,6-dione +C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O DZ [(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O DZ0 (2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C DZ1 n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide +c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl DZ2 2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br DZ3 n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N DZ4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +c1cc(ccc1/C=C(/C(=O)O)\S)F DZ5 (2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N DZ6 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide +COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2 DZ7 (2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one +CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4 DZ8 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N DZ9 3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide +CN(C)NC(=O)CCC(=O)O DZA daminozide +c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3 DZB n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide +Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5 DZC 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide +c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O DZD 5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C DZE methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N DZF 5-deazafolic acid +COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4 DZG 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine +CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5 DZH ~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide +c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O DZI 3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide +c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O DZJ 3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one +c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O DZK (2~{s})-2-(phenylmethylsulfanyl)butanedioic acid +CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5 DZL 2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide +Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N DZM 3-deaza-3-methyladenine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O DZN daidzin +c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl DZO 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine +CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl DZP 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one +CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F DZR ~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide +c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl DZS 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid +CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZT (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol +Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6 DZU 8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline +COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl DZV 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one +CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O DZW (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol +C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O DZX deoxy-galacto-noeurostegine +Cc1c(nc(s1)C)CC(=O)O DZY (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid +COP(=S)(O)OC DZZ o,o-dimethyl hydrogen thiophosphate +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O E n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate +C[N+](C)(C)Cc1ccccc1 E00 benzyltrimethylammonium +C1CC2(CCC1N)C3CC4CC(C3)CC2C4 E01 (1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine +c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl E02 5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide +c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N E03 6-fluoro-d-tryptophan +CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C E04 3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran +CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E05 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol +[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O E06 [(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O E07 trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron +[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O E08 trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron +Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO E09 3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol +CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC E0A n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C E0B n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br E0C 5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide +CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O E0D (3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid +CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O E0E (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol +CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4 E0F ~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C E0G 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide +c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl E0H 5-(3,4-dichlorophenyl)furan-2-carboxylic acid +Cc1cc(ccc1OCc2ccccn2)OC E0J 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine +Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4 E0K (2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O E0L 3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4 E0M 2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one +CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl E0N (2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid +CC(C)(C(=O)O)Oc1ccc(cc1)Cl E0O 2-(4-chloranylphenoxy)-2-methyl-propanoic acid +CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C E0P ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O E0Q 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O E0R 4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4 E0S 2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide +c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O E0T 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid +CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O E0U 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid +CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1 E0V 4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine +[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O E0Y (3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline +COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl E0Z 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E10 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC E11 n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine +C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 E12 (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C E13 n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide +CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E14 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E15 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C E16 (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C E17 n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide +CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 E18 2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate +C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O E1B 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid +CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O E1C 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E1D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C E1E 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N E1F 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2 E1G 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +[H]/N=C\C E1H ethanimine +COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3 E1J n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide +C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl E1K 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F E1L n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide +C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4 E1M (2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1 E1N 12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O E1O (2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid +CCOC(=O)C(=O)N1CCCCC1 E1P ethyl oxo(piperidin-1-yl)acetate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O E1R (2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid +Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E1S n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine +c1cc2ccc(nc2nc1)C(=O)O E1T 1,8-naphthyridine-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O E1U (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid +Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3 E1W 6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one +CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O E1X phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester +C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C E1Z s-trichostatin a +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4 E20 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine +CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C E21 21-hydroxy-oligomycin +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3 E22 (2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide +CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F E23 n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F E24 n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide +CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C E26 (4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione +c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl E27 2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2 E28 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2 E29 (2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O E2B 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl E2C 5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4 E2F 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine +Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O E2G (2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide +CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E2I 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3 E2J 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one +c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N E2K 4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4 E2L 2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine +c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4 E2M cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid +Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F E2N 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4 E2O 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine +CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O E2P prostaglandin b2 +c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] E2Q 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide +c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N E2R 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C E2T ~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN E2U 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine +CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC E2V (2r)-2-(hexadecanoyloxy)propyl nonadecanoate +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O E2W 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol +c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4 E2X 7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine +c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3 E2Z 2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine +c1cc(ccc1c2[nH]nnn2)N E30 4-(1h-tetrazol-5-yl)aniline +CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N E31 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide +c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5 E32 7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC E33 (8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +CCOC(=O)c1ccc(c(c1)N)N E34 ethyl 3,4-diaminobenzoate +CCOC(=O)c1cc(cc(c1)O)O E35 ethyl 3,5-dihydroxybenzoate +c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl E36 2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N E37 n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine +c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl E38 5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F E39 (2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole +c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F E3A 1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione +CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C E3B 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone +CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N E3C 3-ethyl, cytidine-5'-monophosphate +Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C E3D dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium +c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5 E3E 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one +CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC E3F (8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E3G estrone beta-d-glucuronide +CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C E3H ~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide +c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E3K azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N E3M (1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F E3N 1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O E3O (16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol +c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N E3P n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C E3Q 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one +CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC E3S (1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C E3T ~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O E3U (6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one +CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C E3V {cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid +CN1CCC(=CC1)c2ccc(cc2)O E3X 4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol +COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl E3Y 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine +C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl E3Z ~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide +CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC E40 (2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide +CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 E41 n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide +c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N E42 (r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid +O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3 E43 12-polytungstate +COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl E44 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine +c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2 E46 n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C E48 6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C E49 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O E4A (4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CCOC(=O)c1ccc(cc1)O E4B ethyl 4-hydroxybenzoate +c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O E4D (2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol +CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O E4E 6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN E4F 5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O E4G (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C E4H (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O E4J 2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide +Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O E4K 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid +CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC E4L ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate +C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C E4M 1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +CC[N+](CC)(CC)CC E4N tetraethylammonium ion +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O E4O (2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide +C([C@H]([C@H](C=O)O)O)OP(=O)(O)O E4P erythose-4-phosphate +Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O E4Q 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O E4R (3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol +COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F E4S 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide +CC1CC(CC(C1)(O)O)(O)O E4T 5-methylcyclohexane-1,1,3,3-tetrol +B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O E4U [(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid +c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N E4V 4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine +Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl E4W azd5991 +C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br E4X 4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O E4Y (2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide +c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O E4Z baloxavir acid +CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl E50 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O E51 (2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide +CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O E52 methylated ruthenium pyridocarbazole +C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC E53 everolimus +CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC E55 3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose +c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N E56 3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile +CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C E57 n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E59 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O E5A (10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione +CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5C (3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C E5D (9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +c1cc(c(cc1[C@H](C[NH3+])O)O)O E5E noradrenaline +C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O E5G 5-hydroxypentyl alpha-d-glucopyranoside +c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3 E5H 2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide +CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl E5J 5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC E5K 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone +CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC E5L 2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide +C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C E5M (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one +C[C@H](CCC(=O)O)C(=O)O E5N (2~{r})-2-methylpentanedioic acid +CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br E5O 2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine +C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5 E5P (9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O E5Q 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol +C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O E5R (3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O E5S (3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol +Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O E5T 3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +COC(C(=O)O)C(=O)O E5U 2-methoxypropanedioic acid +COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O E5V (4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F E5W 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol +c1cc(ccc1CO)C(=O)O E5X 4-(hydroxymethyl)benzoic acid +CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O E5Y (5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N E5Z ~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide +C1C(=O)NC(=S)S1 E60 2-sulfanylidene-1,3-thiazolidin-4-one +C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E61 (10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O E62 (3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O E63 6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one +CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O E64 n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine +Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C E65 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN E67 7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N E68 ~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide +[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O E69 n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide +c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br E6A (2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N E6B ~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide +CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O E6C n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane +CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O E6D ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6 E6E 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one +C1CC[C@@H]([C@H](C1)C(=O)O)N E6F (1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E6G 6-ethyl, guanosine-5'-monophosphate +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O E6J (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O E6K 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid +COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4 E6L 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide +C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC E6M (10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-] E6N (4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one +C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl E6O 5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide +C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O E6P (10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one +c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6Q 3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C E6R 1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C E6S (3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4 E6T 3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one +c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O E6U n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C E6V (3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione +c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4 E6W 2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one +C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C E6Y (5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione +COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4 E6Z 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide +COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O E70 n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide +c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5 E71 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN E72 7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine +CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O E74 (4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O E75 trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol +CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O E77 (4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C E78 ~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +C[C@H](CC(=O)O)N[C@@H](C(=O)O)O E79 (3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid +C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O E7A (10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide +C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C E7B (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid +CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C E7C methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC E7D n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide +c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN E7E ~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide +c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O E7F 1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one +CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O E7G 7-ethyl, guanosine-5'-monophosphate +c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N E7H 4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide +CC(C)C[C@H](C(=O)SCCNC(=O)C)N E7L s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate +Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5 E7M 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide +CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 E7N ~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide +C(CP(=O)(O)O)[C@@H](C(=O)O)N E7P (2s)-2-amino-4-phosphonobutanoic acid +CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O E7Q ~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide +CCCn1cnc2c1C(=O)N(C(=O)N2C)C E7R 1,3-dimethyl-7-propyl-purine-2,6-dione +Cc1cc2c(cc1C)nc([nH]2)CO E7S (5,6-dimethyl-1h-benzimidazol-2-yl)methanol +CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O E7T 5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one +C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1 E7U (1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol +CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl E7V 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN E7W (1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N E7X (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO E7Y (5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide +CN1C=C(C(=O)C=C1C(=O)O)O E7Z 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid +CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O E80 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN E82 3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide +CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3 E83 2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid +c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3 E84 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate +c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl E86 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC E87 (2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate +CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN E88 (2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid +COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 E89 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN E8B ~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide +CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F E8C (2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3 E8E (2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8F (2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO E8G (2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O E8H 1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC E8J (1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4 E8K [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate +CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O E8L 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO E8M (3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide +CCC1(CCCCC1)C E8N 1-ethyl-1-methyl-cyclohexane +CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O E8O 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid +CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O E8P (2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC E8Q 2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid +Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO E8R (2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide +COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO E8S n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide +C(CC(=O)O)[C@H](CC(=O)C(=O)O)O E8U (4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid +c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) +CC(C)O[P@](=O)(C)OC E8W 2-[methoxy(methyl)phosphoryl]oxypropane +CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E8X (2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O E8Z ~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N E90 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide +c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O E91 4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl E92 ~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide +c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N E94 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile +Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N E95 7-methyl-l-tryptophan +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O E96 4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene] +CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C E97 [3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine +c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F E98 ~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide +C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C E9A [(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate +C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N E9C (2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC E9D heteroaryldihydropyrimidine tetramethylrodamine +CCO[P@](=O)(C)OC E9E 1-[methoxy(methyl)phosphoryl]oxyethane +C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5 E9F 4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine +C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O E9G {hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid +CCCCCCCCCCCCCCCCOP(=O)(O)O E9H hexadecyl dihydrogen phosphate +C[C@@H](c1ccccc1)NC(=O)C(=O)O E9J oxo{[(1s)-1-phenylethyl]amino}acetic acid +C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO E9K (1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C E9L (1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium +CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O E9M n-methyl-l-tryptophan +c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O E9N (2~{r})-2-(phenylmethylsulfanyl)butanedioic acid +CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O E9O (2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid +CCc1ccc(c(c1)O)Oc2ccccc2 E9P 5-ethyl-2-phenoxyphenol +C1CCN(C1)c2c(c([nH]n2)N)C#N E9Q 5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile +c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O E9R (2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid +c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O E9S (2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O E9T 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O E9U (2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid +CN[C@@H](Cc1cnc[nH]1)C(=O)O E9V n-methyl-l-histidine +C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N E9W azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium +CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C E9X 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC E9Y 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl E9Z 5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine +CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C EA0 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide +c1cn2cnc3c(c2n1)nc[nH]3 EA1 3h-imidazo[2,1-i]purine +C(CO[P@@](=O)(O)OP(=O)(O)O)N EA2 aminoethanolpyrophosphate +c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO EA3 4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCOC(=O)CNC(=O)NCc1ccc(cc1)N EA4 ethyl n-[(4-aminobenzyl)carbamoyl]glycinate +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O EA5 (4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C EA6 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine +C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C EA7 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EA9 (4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O EAA ethacrynic acid +c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O EAB (3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +CCOC(=O)CC(=O)C EAC ethyl 3-oxobutanoate +CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O EAD {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC EAE (1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one +CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O EAF (4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O EAG 2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O EAH (5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid +COc1ccccc1c2cccc(c2)C(=O)O EAJ 3-(2-methoxyphenyl)benzoic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O EAL 1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline +CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C EAM 2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O EAN [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C EAO 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione +C(=COP(=O)(O)O)N EAP 2-amino-vinyl-phosphate +CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4 EAQ 6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide +CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl EAR ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate +c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAS 5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O EAT (2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N EAU 3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide +Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EAV n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide +c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br EAW n-(2-bromophenyl)pyrrolidine-1-sulfonamide +C([C@H]([C@H](C(=O)O)O)O)O EAX (2r,3r)-2,3,4-trihydroxybutanoic acid +[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O EAY (2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid +Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N EAZ (2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F EB0 1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O EB1 seocalcitol +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4 EB2 n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4 EB3 n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O EB4 n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) +CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC EB5 n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide +COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4 EB6 methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F EB7 2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC EB8 methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate +CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4 EB9 n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide +Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3 EBB 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one +C(CNC(=O)CI)NC(=O)CI EBC n,n'-ethane-1,2-diylbis(2-iodoacetamide) +Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N EBD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile +Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO EBE (2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide +COc1ccc2c(c1)OC(=O)C=C2 EBF 7-methoxychromen-2-one +C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EBG 2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside +C[C@@H](CBr)O EBH (2s)-1-bromopropan-2-ol +C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F EBI 1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide +c1c([nH]nn1)S EBJ 1h-1,2,3-triazole-5-thiol +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl EBK 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide +CC(C)NC(=O)c1ccccc1I EBM 2-iodo-n-(1-methylethyl)benzamide +[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl EBN (s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide +Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O EBO (2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid +CCOP(=O)(Cc1ccc(cc1)C)OCC EBP diethyl 4-methylbenzylphosphonate +C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O EBQ (3s)-3-hydroxybutyl alpha-d-glucopyranoside +CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O EBR [(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate +CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O EBS 3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium +CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O EBT n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine +[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O EBU pepide inhibtor +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N EBV (2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one +C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C EBW 4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium +CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C EBX 4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide +Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EBY n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide +c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-] EC0 7-chloranyl-5-nitro-quinolin-8-ol +c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O EC2 (2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl EC3 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one +c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N EC4 6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide +c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5 EC5 (2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O EC6 n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC EC7 (s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide +c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O EC8 n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide +CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3 EC9 n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide +c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O ECA n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide) +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ECB 1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C(CC(=O)N)[C@@H](CO)N ECC (4s)-4-amino-5-hydroxypentanamide +C1[C@H](NC(=[NH2+])N1)CCC(=O)O ECD (4r)-4-(2-carboxyethyl)imidazolidin-2-iminium +C1CCC(=O)OCC1 ECE caprolactone +c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N ECF 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC ECG 3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C ECH beta,beta-caroten-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N ECI [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N ECJ (5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate +c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECL 1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl ECM 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid +c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl ECN 1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O ECO estradiol-6 carboxyl-methyl-oxime +C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C ECP (2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate +C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O ECQ (3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one +c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F ECR 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O ECS 2,3,17beta-trihydroxy-1,3,5(10)-estratriene +Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC ECT ecteinascidin 743 +c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br ECU 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol +CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F ECV 2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +CCSC[C@@H](C(=O)O)N ECX s-ethyl-l-cysteine +Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C ECY 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid +COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F ECZ 8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O ED1 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED2 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C ED3 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione +CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C ED4 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C ED5 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate +Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 ED7 n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide +CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F ED8 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C ED9 (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol +c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O EDA 3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate +c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N EDB 2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide +c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O EDC n3,n4-etheno-2'-deoxycytidine-5'-monophosphate +CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N EDD 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide +[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N EDE edeine b +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C EDF (3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one +C1[C@@H]([C@H]([C@@H](N1)CO)O)O EDG 1,4-dideoxy-1,4-imino-l-arabinitol +CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N EDH n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI EDI 2'-deoxy-1-(2-iodoethyl)inosine +CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br EDJ 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid +CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4 EDK (2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid +CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C EDM 6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine +C(CN)N EDN ethane-1,2-diamine +C(CO)O EDO 1,2-ethanediol +CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC EDP 5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione +CC[N+](C)(C)c1cccc(c1)O EDR edrophonium ion +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O EDS (2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide +C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O EDT {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O EDU 2'-deoxy-5-ethynyluridine +C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O EDV 1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 EDX (2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid +c1ccc(c(c1)CCO)NC(=O)Nc2cnns2 EDZ 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea +CCC[C@H](C(=O)O)N EE0 (2~{r})-2-azanylpentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N EE1 (3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O EE2 (2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N EE3 (2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid +CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC EE4 n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide +CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O EE5 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid +CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C EE6 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one +Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EE7 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCOc1ccc(cc1Cl)NC(=O)C EE8 ~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide +C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C EE9 (3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEA n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EEB uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid +c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEC n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide +C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC EED (9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol +CCOC(=O)C EEE ethyl acetate +c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEF n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N EEG n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide +Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC EEH n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide +CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl EEJ methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate +c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl EEK ~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide +C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O EEL (2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid +C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EEM [(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O EEN 2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O EEO (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid +C[C@@](C[C@@H](C(=O)O)N)(CO)O EEP (2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O EEQ 2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose +C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O EER (2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid +c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O EES 3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol +CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O EET (5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O EEU estradiol-pyridinium tetraacetic acid +Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F EEV 4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC EEW [(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid +C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O EEX (1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl EEY 2-chloro-5-nitro-n-(pyridin-4-yl)benzamide +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl EEZ ~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O EF0 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid +CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O EF1 (2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid +c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O EF2 s-thalidomide +[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C EF3 (e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C EF4 oligomycin c +CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4 EF5 2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide +c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl EF6 n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N EF8 6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium +C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O EF9 (3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid +C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N EFA 5'-deoxy-2-ethynyl-5'-fluoroadenosine +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFB oligomycin b +C(CSSC[C@@H](C(=O)O)N)F EFC s,s-(2-fluoroethyl)thiocysteine +Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F EFD avacopan +C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O EFE enantio-pyochelin fe(iii) +C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N EFF 1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide +c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F EFG 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one +O[Mo]=O EFK oxidanyl(oxidanylidene)molybdenum +CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C EFL 5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C EFM 5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide +CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C EFN 5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide +CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C EFO oligomycin a +CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC EFP n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide +COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O EFQ n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N EFR 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide +CCOP(=O)(O)O EFS ethyl dihydrogen phosphate +c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N EFT (2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile +Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4 EFU n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide +COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N EFV {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile +c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O EFW 6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide +COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O EFX 3-(3-methoxycarbonylphenyl)benzoic acid +CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 EFY n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide +c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F EFZ (-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one +C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O EG0 2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid +c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N EG1 aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N EG2 aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide +c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N EG3 phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6 EG5 (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O EG6 n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine +Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F EG7 (2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid +c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3 EG8 n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine +CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O EGA ethyl beta-d-galactopyranoside +CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C EGB (4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO EGC 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol +[H]/N=C(\N)/NCC EGD n-ethylguanidine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O EGE 4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid +Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4 EGF ~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O EGG (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br EGH (4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one +C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O EGJ (2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid +C(CO)O EGL ethylene glycol +CCc1ccc(cc1)C(=O)O EGM 4-ethylbenzoic acid +CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 EGN 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one +Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4 EGO 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid +CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6 EGP n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea +CCOC(=O)c1cc(c(c(c1)O)O)O EGR ethyl 3,4,5-trihydroxybenzoate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O EGT 2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol +CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl EGU 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid +[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O EGV (4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F EGW 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide +c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5 EGX 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C EGY (4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium +C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O EGZ (3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid +c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O EH0 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid +c1cc(ccc1C2CCCCC2)C(=O)O EH1 4-cyclohexylbenzoic acid +c1ccc(c(c1)/C=C/c2cccs2)C(=O)O EH2 2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid +CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl EH3 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid +COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O EH5 n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide +c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O EH6 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid +Cn1cnc(c1c2ccncc2)c3ccccc3 EH8 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine +CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N EH9 (2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol +CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5 EHA (5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid +CCN\1c2cc(ccc2S/C1=C\C(=O)C)O EHB (1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one +c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl EHC 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O EHD 4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione +CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3 EHE 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one +CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O EHF (2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N EHG 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine +Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN EHH [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine +CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3 EHK 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one +Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-] EHL 5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide +C([C@H]([C@H](C(=O)NO)O)O)O EHM (2r,3r)-n,2,3,4-tetrahydroxybutanamide +CC EHN ethane +c1ccc(cc1)Nc2ccccc2C(=O)O EHO 2-phenylazanylbenzoic acid +c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP 3-hydroxyphenylalanine +Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3 EHQ 3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole +c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O EHR 2-[(2-phenylphenyl)amino]benzoic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O EHS 2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3 EHT 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole +CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O EHU 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid +Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br EHV (2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid +Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F EHW 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole +c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO EHX (9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole +c1ccc(cc1)CCNC(=S)Nc2cccnc2 EHY n-(2-phenylethyl)-n'-pyridin-3-ylthiourea +CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O EHZ ~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate +CCc1c2cc(ccc2nn1c3ccc(cc3)O)O EI1 3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol +Cc1ccc(nc1)c2ccc(cn2)C EI3 5-methyl-2-(5-methylpyridin-2-yl)pyridine +C1CNCC2=C1C(=O)NO2 EI7 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4 EI8 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4 EI9 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride +CCCCC\C=C/C\C=C/CCCCCCCC(=O)O EIC linoleic acid +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-] EIE ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC EIJ (2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC EIM (1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O EIN (1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O EIO (3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine +C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO EIP 4-hydroxy-3-methyl butyl diphosphate +CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O EIS n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3 EIT ((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +Cn1cncc1[N+](=O)[O-] EIV 1-methyl-5-nitro-1h-imidazole +[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EJ1 (2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid +[H+]([Fe](C#N)(C#N)C#[O+])[Ni] EJ2 ni-fe reduced active center +c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8 EJ4 (4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol +c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O EJ5 4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid +Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F EJ6 5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide +C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC EJ7 n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O EJ8 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C EJ9 (2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O EJA s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine +CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O EJB 7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CCCOc1ccc2c(c1)cc[nH]2 EJC 5-propoxy-1h-indole +c1cc(ccc1c2ccsc2)C(=O)O EJD 4-(thiophen-3-yl)benzoic acid +Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN EJE [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2 EJF n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O EJH [(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid +c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJK 4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O EJL (9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid +c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O EJN (2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol +CCN(CC)c1ccc2c(c1)OC(=O)C=C2 EJO 7-(diethylamino)chromen-2-one +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N EJP (3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile +c1cc(ccc1NC(=O)CN2CCCC2)F EJQ ~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F EJR n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5 EJS (4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide +c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-] EJT 1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene +CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC EJU 8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine +CCCCCCCc1ccc(cc1)C(=O)O EJV 4-heptylbenzoic acid +c1ccc(cc1)c2cc(on2)C[NH3+] EJW (3-phenyl-1,2-oxazol-5-yl)methylazanium +c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-] EJY 2-benzyl-5-nitro-1h-benzimidazole +C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-] EJZ 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl EK0 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O EK1 (2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid +c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4 EK2 {4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone +c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F EK3 n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine +c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F EK4 n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide +c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5 EK5 4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide +CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F EK6 ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate +CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O EK7 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O EK8 (2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4 EK9 n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide +C1CCC(CC1)N(C(=O)C(=O)O)O EKA [cyclohexyl(hydroxy)amino](oxo)acetic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC EKB 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine +C1CCC(CC1)NC(=O)C(=O)O EKD (cyclohexylamino)(oxo)acetic acid +C[C@H]([C@H](CCC(=O)O)N)O EKE (4s,5r)-4-amino-5-hydroxyhexanoic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 EKF n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O EKG (2r)-2,3-dihydroxypropyl hexadecanoate +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl EKH 5-chlorotubercidin +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC EKJ 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br EKK 5-bromotubercidin +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC EKL 6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C EKM 1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium +C(CN[C@@H](CC(=O)O)C(=O)O)N EKN (2~{s})-2-(2-azanylethylamino)butanedioic acid +c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl EKO 4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C EKP 2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid +C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O EKQ (2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid +CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5 EKR n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C EKS 2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid +CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C EKT 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one +c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O EKU 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one +CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C EKV n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine +C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O EKX (1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid +CC(C)(C)c1ccc(c(c1)O)O EKZ 4-tert-butylbenzene-1,2-diol +Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C EL ellipticine +CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C EL1 3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide +CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5 EL2 1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide +C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C EL3 (3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene +C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C EL5 biliverdin +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC EL6 [(2s)-2-octadecanoyloxypropyl] octadecanoate +CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EL7 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name) +C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F EL8 (6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide +CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6 EL9 cyclometalated-carbene platinum(ii) complex +CCCCCCCC\C=C\CCCCCCCC(=O)O ELA 9-octadecenoic acid +c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N ELB 4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +CCCCCCCCC=CCCCCCCCC(=O)N ELD (9e)-octadec-9-enamide +C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O ELE 2-keto 3 deoxy 6 phospho gluconate +C1C[C@H](C(=O)NC1)C[C@@H](C=O)N ELF (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O ELG (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O ELH 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O ELI 6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid +Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl ELJ chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii) +Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC ELK ~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide +C1CNC(=O)[C@@H]1C[C@@H](C=O)N ELL (2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal +CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O ELM n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide +c1cc(ccc1NC(=O)CC#N)Cl ELN ~{n}-(4-chlorophenyl)-2-cyano-ethanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O ELP (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid +CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F ELQ [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone +C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELR phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O ELS n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +CCOP(=O)(N(C)C)O ELT ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid +C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O ELU phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate +CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O ELV 6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O ELW 5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C ELX (2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol +CCN(CC)CCCC[C@@H](C(=O)O)N ELY n~6~,n~6~-diethyl-l-lysine +CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O ELZ 10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C EM1 (3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O EM2 (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EM4 n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide +c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO EM5 4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide +CCC1=C(N=C2C(=CNN2C1=O)C#N)C EM6 6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N EM7 3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide +C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F EM8 (3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid +CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O EM9 n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide +c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N EMA (adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate +CCOC(=O)NC EMB methyl-carbamic acid ethyl ester +CC[Hg+] EMC ethyl mercury ion +C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC EMD 5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one +CN[C@@H](CCC(=O)O)C(=O)O EME n-methyl-l-glutamic acid +CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O EMF ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate +CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O EMG n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide +CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C EMH 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile +CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O EMJ 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione +CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O EMK (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO EML 2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol +CN(C=C)C(=O)O EMM [methyl(vinyl)amino]methanol +C[C@H](COCCOC)COC[C@H](C)N EMN (2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine +Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O EMO 3-methyl-1,6,8-trihydroxyanthraquinone +CCN[C@H]1CO[C@H](C[C@@H]1OC)O EMP 2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose +CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4 EMQ 1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea +C1COCCN1CCN EMR n-aminoethylmorpholine +[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O EMS (2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid +CC[Hg]Sc1ccccc1C(=O)O EMT 2-(ethylmercuri-thio)-benzoic acid +c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 EMU n-benzyl-9h-purin-6-amine +CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3 EMV (2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine +Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC EMW (3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide +COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O EMZ 6-o-methyl-beta-d-galactopyranose +Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O EN0 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +c1cc(ccc1/C=C(\C(=O)O)/O)O EN1 (2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid +CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F EN2 ~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide +c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2 EN3 (e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione +C1CCC(C1)N(C(=O)C(=O)O)O EN4 [cyclopentyl(hydroxy)amino](oxo)acetic acid +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN EN5 n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO EN6 n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide +C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC EN8 (2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine +c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl EN9 (2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N ENA etheno-nad +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C ENB ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +CC[N+]#C ENC ethyl isocyanide +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O END 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol +C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O ENE (4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol +CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1 ENF n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide +c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O ENG (2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid +CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl ENH 1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S ENJ (4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid +c1ccc(cc1)c2nc(on2)CN ENK (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine +C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O ENL (1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F ENM (5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one +CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N ENN ~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide +c1cc(ccc1CC(=O)C(=O)O)O ENO 3-(4-hydroxy-phenyl)pyruvic acid +c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O ENP etheno-nadp +c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O ENQ [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate +CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC ENR 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide +COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N ENS methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate +CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O ENT 3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester +CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC ENU 6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O ENV (2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O ENW 2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate +CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N ENX enacyloxin iia +COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O ENY (2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid +CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3 ENZ (4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one +CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC EO0 9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C EO1 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine +CC(=C)C[C@@H](C(=O)O)N EO2 4,5-dehydro-l-leucine +CCCCCCCCCCCCCCCCCCCCCC(=O)O EO3 docosanoic acid +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C EO4 n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine +Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6 EO5 ~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EO6 (1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N EO7 2-chloro-5'-o-sulfamoyladenosine +c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O EO8 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid +[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O EO9 [(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc(cc1)CCNC=O EOA n-phenethyl-formamide +c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOB {1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOC (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O EOD 11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid +C1C[C@H](NC1)CC(=O)O EOE beta3-proline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 EOF (2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl EOG 1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CCO EOH ethanol +C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S EOI [[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl EOJ 1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C EOK (~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide +COc1cc(ccc1O)CC=C EOL 2-methoxy-4-(prop-2-en-1-yl)phenol +CCOC[O-] EOM ethyloxymethoxyl +COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N EON 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea +COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O EOO (1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid +C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O EOP {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) +c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl EOQ 4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide +CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N EOR 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C EOS 1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO EOT [(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid +COC(=O)/C=C/C(=O)OC EOU dimethyl (~{e})-but-2-enedioate +Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O EOW (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate +CCO EOX ethyloxy group +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C EOY 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O EOZ 3,5-bis[(phosphonoacetyl)amino]benzoic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C EP epothilone a +CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O EP0 n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline +C1CN(CCN1CCCS(=O)(=O)O)CCO EP1 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O EP2 methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate +CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O EP4 5'-deoxy-5'-(dimethylamino)adenosine +c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] EP5 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium +CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C EP6 5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC EP7 1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4 EP8 5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 EP9 n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O EPA 5,8,11,14,17-eicosapentaenoic acid +Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C EPB 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O EPC (1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid +Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C EPD epothilone d +C1CN(CCN1CCO)CCS(=O)(=O)O EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid +C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O EPG (2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside +CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN EPH l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine +CCC1CCNCC1 EPI 4-ethylpiperidine +c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl EPJ epibatidine +CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C EPK 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one +CCOP(=O)(OCC)Oc1ccc(cc1)OC EPL diethyl 4-methoxyphenyl phosphate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O EPM n-palmitoyl-l-methionine +c1cc(ccc1[N+](=O)[O-])OCCCO EPN 3-(4-nitro-phenoxy)-propan-1-ol +[C@@H]1(C(O1)C(=O)O)C(=O)O EPO (2r,3r)-oxirane-2,3-dicarboxylic acid +CN(C)C(=O)CC[C@@H](C(=O)CF)N EPQ (4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide +C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O EPR {5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid +C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O EPS 5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +CCCCCCCc1ccc(cc1)O EPT heptanyl-p-phenol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O EPU uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid +Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C EPV 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O EPW cystargolide b- bound form +c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N EPY 1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C EPZ (2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N EQ1 [2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid +CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2 EQ2 1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C EQ3 (3'r)-3'-hydroxy-beta,beta-caroten-4-one +c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O EQ4 5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine +c1ccc2c(c1)ccn2CCC(=O)O EQ5 3-indol-1-ylpropanoic acid +CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl EQ7 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one +c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F EQ8 [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium +Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N EQ9 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one +c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F EQA (2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid +CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQB (2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid +COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O EQC arctigenin +c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl EQD 5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol +CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O EQE (2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid +C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C EQF (3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione +[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3 EQG benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate +c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N EQH cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O EQI equilin +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O EQJ (e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine +c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O EQL 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid +CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O EQM methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C EQO 4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid +CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O EQP (1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol +c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N EQQ ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine) +c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O EQR 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N EQS (1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(c(c1)Cl)c(n[nH]2)N EQT 4-chloranyl-1~{h}-indazol-3-amine +C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O EQU equilenin +C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O EQV loganic acid +c1c(cnc(n1)NC2CCOCC2)Cl EQW 5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine +Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O EQX 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid +COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4 EQY methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate +COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl EQZ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one +C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O ER0 [(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate +S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34 ER2 fe4s4 +[Er+3] ER3 erbium (iii) ion +COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O ER4 (3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O ER5 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O ER6 (3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid +Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C ER7 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one +CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ER8 ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide +c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O ER9 3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid +CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O ERA (7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C ERB erythromycin b +COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O ERC 8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one +c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O ERD (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O ERE 4-epi-vancosamine +B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O ERF phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C ERG ergosterol +Cc1cc(cc(c1)O)C ERH 3,4-dimethylphenol +C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C ERI 3-c-methyl-4-o-acetyl-alpha-l-olivopyranose +c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O ERJ 9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine +C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ERK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide +C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C ERM ergotamine +CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O ERN (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one +C=CC1=C(NC(=O)NC1=O)C(=O)O ERO 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERP 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine +Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC ERR 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O ERS (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol +CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O ERT methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate +CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N ERU (13z)-docos-13-enamide +CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl ERW ~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide +Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC ERX 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine +CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ERY erythromycin a +Cc1cnc(nc1)Nc2cnn(c2C)C ERZ ~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine +c1cc2c(c(c1)O)[nH]c(n2)N ES0 2-amino-1h-benzimidazol-7-ol +c1ccc2c(c1)c(ccn2)O ES1 quinolin-4-ol +c1cc2c(cc1Cl)NC(=O)C2 ES2 6-chloro-1,3-dihydro-2h-indol-2-one +c1c(nc[nH]1)Br ES3 4-bromo-1h-imidazole +c1[nH]c2c(n1)c(ncn2)Cl ES4 6-chloro-9h-purine +c1cc2cc(ccc2nc1)N ES5 quinolin-6-amine +C1=CNC(=O)C(=C1)C(=O)O ES6 2-oxo-1,2-dihydropyridine-3-carboxylic acid +Cn1c2ccccc2nc1N ES7 1-methyl-1h-benzimidazol-2-amine +c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O ES8 [(9h-fluoren-9-ylideneamino)oxy]acetic acid +c1cc2c(cc1Cl)nc[nH]2 ES9 5-chloro-1h-benzimidazole +CCS(=O)(=O)O ESA ethanesulfonic acid +CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N ESB 3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine +CCSCC[C@@H](C(=O)O)N ESC 2-amino-4-ethyl sulfanyl butyric acid +C(CSCC(=O)O)N ESD (2-amino-ethylsulfanyl)-acetic acid +C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O ESE (1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol +C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O ESF (2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide +CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N ESG l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N ESH 4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide +c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I ESI 4-iodobenzo[b]thiophene-2-carboxamidine +c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O ESJ (4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESK 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O ESL estriol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC ESM 1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether +Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESN (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O ESO o3-phosphonoestrone +c1cc2cc(sc2nc1)C(=[NH2+])N ESP thieno[2,3-b]pyridine-2-carboxamidine +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5 ESQ 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4 ESR 5-alpha-estran-3,17-dione +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ESS (1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O EST estradiol +CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl ESW 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide +c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX benzo[b]thiophene-2-carboxamidine +CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O ESY benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O ESZ (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol +CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N ET ethidium +COc1ccc2c(c1)c(c[nH]2)CCC(=O)O ET0 3-(5-methoxy-1h-indol-3-yl)propanoic acid +COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O ET1 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid +c1cc2c(cc1F)[nH]c(n2)N ET2 6-fluoro-1h-benzimidazol-2-amine +CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O ET3 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide +c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN ET5 (3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C ET6 (1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4 ET8 3-phenyl-5-(pyridin-4-yl)-1h-indazole +C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N ET9 [[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate +C(CO)N ETA ethanolamine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O ETB ethyl coenzyme a +CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O ETC (r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol +C#C ETD ethenylene group +COCCOCCOCCOCCO ETE 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol +C(C(F)(F)F)O ETF trifluoroethanol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4 ETG (3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide +C[CH2] ETH ethyl group +CCI ETI iodoethane +c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O ETK 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid +C[N+](C)(C)CCS ETM 2-(trimethylammonium)ethyl thiol +CCNC ETN methylethylamine +CCOC=O ETO ethoxycarbonyl group +B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O ETP 3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid +CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl ETQ 3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide +CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C ETR n-ethyl retinamide +CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C ETS (4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O ETT 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C ETU (3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone +C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F ETV 4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O ETW 5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid +CCOCCO ETX 2-ethoxyethanol +CCc1ccc(cc1)O ETY 4-ethylphenol +CCOCC ETZ diethyl ether +[Eu+2] EU europium ion +C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C EU1 (2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 EU2 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one +[Eu+3] EU3 europium (iii) ion +CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N EU4 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 EU5 (2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide +C[C@@H](C12CC3CC(C1)CC(C3)C2)N EU7 (1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine +c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O EU9 [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium +c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N EUB 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile +CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C EUD eudesmane cation +CS(=O)(=O)c1ccc2c(c1)sc(n2)N EUE 6-methylsulfonyl-1,3-benzothiazol-2-amine +CCSSc1nc2ccccc2s1 EUF 2-(ethyldisulfanyl)-1,3-benzothiazole +C/C=C/c1ccc(c(c1)OC)O EUG 2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol +c1cc2c(cc1SC(F)(F)F)sc(n2)N EUH 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O EUI [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC EUJ (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl EUK 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine +c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br EUL 2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide +Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4 EUN 2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one +CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3 EUO 6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine +C([C@@H]([C@@H](C(=O)O)N)O)N EUP 4-amino-l-allothreonine +CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUQ 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl EUR 4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O EUS n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide +c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F EUT (8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one +CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C EUU 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine +CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl EUW 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide +CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C EUX n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C EUY (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide +CCCC1=CC(=O)NC(=N1)N EV0 2-amino-6-propylpyrimidin-4(3h)-one +COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC EV1 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline +c1ccc2c(c1)nc(c(n2)N3CCCC3)N EV2 3-pyrrolidin-1-ylquinoxalin-2-amine +c1cc2c(cc1Cl)nc(n2CCCO)N EV3 3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol +CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl EV4 4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide +CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl EV5 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide +CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl EV6 (3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4 EV7 2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N EV8 methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC EV9 [(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate +[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O EVA (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O EVB sulfonato-calix[8]arene +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C EVC n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +c1ccc2c(c1)cc(o2)S(=O)(=O)N EVD 1-benzofuran-2-sulfonamide +c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N EVE 1h-benzimidazole-2-sulfonamide +c1ccc2c(c1)nc(s2)S(=O)(=O)N EVF 1,3-benzothiazole-2-sulfonamide +c1cc(oc1)S(=O)(=O)N EVG furan-2-sulfonamide +c1cnc([nH]1)S(=O)(=O)N EVH 1h-imidazole-2-sulfonamide +c1csc(n1)S(=O)(=O)N EVI 1,3-thiazole-2-sulfonamide +c1cc(sc1)S(=O)(=O)N EVJ thiophene-2-sulfonamide +CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl EVK 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide +CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C EVL n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O EVM l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene] +Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O EVN (2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) +c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2 EVO (3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one +C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O EVP (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside +C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl EVQ 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide +CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC EVR 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide +C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O EVS 16-epi-vellosimine +CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O EVT (2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 EVU 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one +CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O EVV n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid +c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N EVW 2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide +CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O EVY (2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EVZ methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate +Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC EW0 7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide +Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6 EW1 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5 EW2 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F EW3 [(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C EW4 [3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone +c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 EW5 1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide +C[C@](CO)(C(=O)O)N EW6 alpha-methyl-l-serine +CCCCCCCCCCCCCCCCCCC(=O)O EW8 nonadecanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C EW9 (1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O EWA [(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid +[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O EWB [(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-) +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O EWC [(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3 EWD 2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O EWE [(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium +c1cc(cc(c1)C(=O)O)c2c[nH]nc2 EWG 3-(1h-pyrazol-4-yl)benzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl EWH ~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide +c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F EWJ 5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid +c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N EWK 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide +CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWL 6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one +CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O EWM n-[(3s)-2-oxooxolan-3-yl]dodecanamide +CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F EWN 6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one +c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F EWO (4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine +CC1=CC(=O)N(c2c1cc(cc2OC)OC)C EWQ 6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O EWR (2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid +c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl EWS (2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium +c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl EWT 2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N EWU 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one +COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5 EWV epiberberine +CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N EWW 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N EWX 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one +CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N EWY 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide +CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl EWZ 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N EX0 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C EX1 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C EX3 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine +C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F EX4 (5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one +CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC EX5 jerantinine b +c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O EX7 2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol +C1[C@@H]([C@@H]([C@H](N1)C=O)F)O EX8 (2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O EXA n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine +c1ccc2c(c1)ncn2CCC(=O)O EXB 3-(1h-benzimidazol-1-yl)propanoic acid +CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C EXC 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical +c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F EXD 2-(trifluoromethyl)-1h-benzimidazol-7-ol +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXE (2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F EXF n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide +c1ccc(cc1)Cn2cnc3c2cccn3 EXG 1-benzyl-1h-imidazo[4,5-b]pyridine +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F EXH (2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC EXI n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl EXJ (3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile +Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N EXL 1-methyl-l-tryptophan +C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C EXM (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione +CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C EXN [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium +C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O EXO (1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol +CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br EXP 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N EXR (2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid +CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O EXS (2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O EXT {5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate +CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C EXU 1,3,7-trimethyl-9h-purine-2,6,8-trione +c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O EXV 3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid +CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C EXW 2-fluoro-3,7,18-dolabellatriene +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br EXX 4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole +C1[C@H](O1)CCCC[C@@H](C(=O)O)N EXY 6-[(2r)-oxiran-2-yl]-l-norleucine +Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O EY0 3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione +c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5 EY1 2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide +CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C EY2 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium +CC(C)Oc1ccc2c(c1)cc[nH]2 EY3 5-propan-2-yloxy-1h-indole +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C EY4 (3a,5a)-3-hydroxypregnane-11,20-dione +CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C EY5 erythromycin d +c1cc2c(cc[nH]2)cc1OCCF EY6 5-(2-fluoranylethoxy)-1h-indole +COc1c(nc2ccccc2n1)CCC(=O)O EY7 3-(3-methoxyquinoxalin-2-yl)propanoic acid +c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2 EY8 [(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide +COCCOc1ccc2c(c1)cc[nH]2 EY9 5-(2-methoxyethoxy)-1h-indole +CN1C(=Nc2ccccc2C1=O)CCC(=O)O EYA 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid +CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C EYB [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl EYC 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid} +CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C EYE [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium +COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO EYF 1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide +CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N EYG {(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid +Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl EYH (4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +c1ccc2c(c1)nc(s2)CCC(=O)O EYJ 3-(1,3-benzothiazol-2-yl)propanoic acid +CC(C)(C)c1cc(ccc1O)O EYK 2-tert-butylbenzene-1,4-diol +c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO EYL ~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide +CN1c2ccccc2N=C(C1=O)CCC(=O)O EYM 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid +CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC EYN 2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide +C1COCCOCCOCCOCCO1 EYO 1,4,7,10,13-pentaoxacyclopentadecane +c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O EYP 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5 EYQ ~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide +CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C EYR (6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene +C([C@@H](C=O)[NH3+])S[SeH] EYS s-selanylcysteinal +c1ccc2c(c1)nc(s2)CC(=O)O EYV (1,3-benzothiazol-2-yl)acetic acid +C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 EYW 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide +c1ccc2c(c1)ccc(n2)CCC(=O)O EYY 3-(quinolin-2-yl)propanoic acid +c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O EYZ (2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid +C=CC[Se]c1ccc(cc1)S(=O)(=O)N EZ1 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide +C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3 EZ2 ~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide +C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O EZ3 (3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one +C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O EZ4 (2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC EZ5 ~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide +CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F EZ6 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid +CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C EZ7 n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide +c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO EZ8 [1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium +CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F EZ9 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C EZA n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide +Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4 EZB 5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one +CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 EZC 2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O EZE trans-oxyresveratrol +Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN EZF methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-] EZG n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide +c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O EZH cis-oxyresveratrol +c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4 EZK [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium +CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-] EZM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide +c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN EZN [3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine +CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O EZO 2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid +c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O EZP n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide +CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N EZR 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C EZS 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O EZT (17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol +C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 EZU 1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline +CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 EZW 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate +c1ccc(c(c1)CNCC(=O)O)N(=O)=O EZY n-[(2-nitrophenyl)methyl]glycine +CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O EZZ (3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +[F-] F fluoride ion +C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O F00 (2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F F01 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one +CCN(CC)c1ccc(cc1)C(=O)NN F02 4-(diethylamino)benzohydrazide +CC(=O)NC1=Nc2ccccc2C(=O)N1 F03 n-(4-oxo-3h-quinazolin-2-yl)acetamide +CCN1C(=O)c2ccccc2C(=N1)C F04 2-ethyl-4-methyl-phthalazin-1-one +c1ccc2c(c1)CN=C2N F05 1h-isoindol-3-amine +[H]/N=C(\N)/SCc1ccccc1Cl F06 2-chlorobenzyl carbamimidothioate +c1cncc2c1ncc3c2scc3 F07 thieno[3,2-c][1,6]naphthyridine +COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 F08 methyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CCCCCCCCCO F09 nonan-1-ol +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC F0A 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0B (3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +COc1ccc(cc1)CC2=NCCC3=C2CCCC3 F0C 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr F0D 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8 F0E cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate +CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2 F0F (1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O F0G (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine +c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl F0H [(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate +COc1ccc(c(c1)OC)O F0J 2,4-dimethoxyphenol +Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O F0K (3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0L nickel-sirohydrochlorin +COc1cc(ccc1O)N(=O)=O F0M 2-methoxy-4-nitrophenol +c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4 F0N (3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1c(sc(n1)Cl)C(=O)O F0O 2-chloranyl-1,3-thiazole-5-carboxylic acid +c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O F0P (2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid +Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br F0Q 1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea +Cc1ccccc1NC(=S)NCc2ccco2 F0R 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5 F0S (4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2 F0T ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate +Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl F0U 5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide +Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C F0V 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C F0W ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate +C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O F0X cobalt-sirohydrochlorin +Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC F0Y methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate +c1ccc(c(c1)C2=NCCCN2)S F0Z 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol +c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F F10 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6 F11 n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine +CC(=O)Nc1c(ccs1)C(=O)O F12 2-(acetylamino)thiophene-3-carboxylic acid +c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3 F13 3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide +CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC F14 2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one +CCCCCCCCCCCCCCC(=O)O F15 pentadecanoic acid +c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O F16 5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O F17 n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide +c1cc(ccc1/N=N\c2c([nH]nc2N)N)O F18 4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O F19 2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N)C F1A 2,4,6-trimethylbenzenesulfonamide +CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2 F1B (3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one +CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C F1C 3,5-bis(3-acetamidophenyl)benzoic acid +CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC F1D methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C F1E ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate +Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F F1G 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide +c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS F1H n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide +COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC F1I n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F F1J (2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide +c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F F1K (2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide +COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br F1L n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide +CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N F1M n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide +Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N F1N n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide +C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1P 1-o-phosphono-beta-d-fructopyranose +CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2 F1Q ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate +COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N F1R n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine +Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4 F1S n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide +Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F F1T 3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine +CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O F1U (1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol +CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC F1V n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C F1W 4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O F1X 1-o-phosphono-beta-d-fructofuranose +CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO F1Y n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide +CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N F1Z ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4 F20 n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide +c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF F21 (3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O F22 (4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid +CCCCCCCCCCCCCCCCCCCCCCC(=O)O F23 tricosanoic acid +C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C F24 (7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid +c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F F25 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine +Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C F26 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene +c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O F27 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N F29 1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N F2A 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine +c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N F2B n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide +c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O F2C 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid +CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C F2D 3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one +C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO F2E 1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea +c1cc(c(cc1C[C@@H](C(=O)O)N)F)F F2F 3,4-difluoro-l-phenylalanine +CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1 F2G 3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-] F2H 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C F2I n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide +[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4 F2J n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide +c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl F2K (5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile +CC(=O)Nc1c(cccc1F)F F2L ~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide +C/C=C/N(C)Cc1ccco1 F2M (~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7 F2N [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +O([Fe])[Fe] F2O mu-oxo-diiron(iii) +C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O F2P 1,6-di-o-phosphono-d-allitol +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O F2R adp-ribosyl-l-arginine +CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C F2S 11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F F2T 2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine +C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F F2U 2'-deoxy-5-ethynyl-2',2'-difluorouridine +C[NH+]1CCc2cc(c(cc2C1)OC)OC F2W 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium +C[C@@H]1CC(=O)c2c(cccc2O)C1=O F2X (2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione +c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N F2Y 3,5-difluoro-l-tyrosine +COc1cc2c(cc1OC)CNC(=O)C2 F2Z 6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one +CC(=O)c1ccc(c(c1)OC)N F31 1-(4-azanyl-3-methoxy-phenyl)ethanone +c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5 F32 (5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O F33 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one +CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O F34 n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O F35 3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione +CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F36 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one +C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 F37 (5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N F38 [4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide +CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O F39 [(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N F3A 2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F F3B 1,3,5-trichloro-2,4,6-trifluorobenzene +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O F3C 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4 F3D 4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide +c1ccc(cc1)c2ccnc(n2)N F3E 4-phenylpyrimidin-2-amine +c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F F3F s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O F3H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol +CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O F3I (mi2-acetato-o, o')-hexaaquo-dirhodium (ii) +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7 F3J 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br F3K ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine) +COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O F3M methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate +c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3N 3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N F3O 3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate) +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O F3P (1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6 F3Q ~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide +S1[Fe]2S[Fe]3[S]2[Fe]1S3 F3S fe3-s4 cluster +C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O F3T 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid +CC(=O)CN F3V 1-aminopropan-2-one +c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N F3W (~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile +c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7 F3Z (3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide +c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 F40 2-phenyl-3h-quinazolin-4-one +c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2 F41 n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O F42 coenzyme f420 +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O F43 factor 430 +c1ccnc(c1)CCCc2ccccn2 F44 2,2'-(propane-1,3-diyl)dipyridine +c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O F45 [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6 F46 n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide +c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O F47 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol +c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F48 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile +COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O F49 [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid +c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2 F4A 4-[(9h-purin-6-yl)amino]benzamide +c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4 F4B (~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile +c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F F4C 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N F4D 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide +COC(=O)c1cc2c([nH]1)cco2 F4E methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate +CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O F4F (5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid +c1cc(cnc1)c2cnc3n2cccc3C(=O)N F4G 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O F4H 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol +c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O F4J 5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one +c1ccn(c1)c2ccc(cc2)CO F4K (4-pyrrol-1-ylphenyl)methanol +CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O F4M 1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol +Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] F4N ~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide +Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O F4O 6-methoxy-streptovaricin c +c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F F4P 1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N F4Q [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +CCCCCCCCCCCCNC=S F4R n-dodecylmethanethioamide +[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3 F4S fe4-s3 cluster +COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC F4T methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate +c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O F4U 2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione +C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 F4W 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C F4X 8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid +c1c(c(nc(c1Cl)Cl)O)Cl F4Z 3,5,6-trichloro-2-pyridinol +CC(=O)OO F50 ethaneperoxoic acid +Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O F51 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid +c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O F52 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO F53 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate +Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C F54 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl F55 n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O F56 3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one +CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O F57 (2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate +C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F58 n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O F59 n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F5A 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid +c1c(c(c(c(c1F)F)F)F)F F5B 1,2,3,4,5-pentafluorobenzene +C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F F5C penta-fluorocinnamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N F5D 5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C F5E ~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide +C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C F5F 3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O F5G (2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O F5H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol +CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O F5I cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii) +c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O F5J 7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F5L (1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O F5M 5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2 F5N 2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide +CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC F5O 4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid +C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N F5P (2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5 F5Q 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide +[H]/N=C(\c1ccc(cc1)Br)/N F5R 4-bromanylbenzenecarboximidamide +C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O F5S (1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one +CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O F5T cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii) +COc1ccc2c(c1)c(c[nH]2)CCN F5U 2-(5-methoxy-1h-indol-3-yl)ethanamine +Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C F5V n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide +COc1ccc2c(c1)[nH]cc2CCN F5X 2-(6-methoxy-1h-indol-3-yl)ethanamine +CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC F5Y 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one +CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2 F5Z 4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide +c1cc(cc2c1cc[nH]2)O F60 1h-indol-6-ol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O F61 n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide +CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C F62 n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide +CNCc1ccc(o1)Oc2cccnc2 F63 n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine +C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C F64 (2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC F65 methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate +Cc1c(c2ccccc2[nH]1)CCN F66 2-(2-methyl-1h-indol-3-yl)ethanamine +C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3 F67 (3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one +Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F68 n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(c(c1)CO)c2cccs2 F69 (2-thiophen-2-ylphenyl)methanol +c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F6A n-biphenyl-3-yl-2-(trifluoromethyl)benzamide +c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F F6B n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C F6C chlorophyll f +Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N F6D (3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile +CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4 F6E (6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one +c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F F6F 2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O F6G 6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one +CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O F6H 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol +CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4 F6J 2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O F6K homosalinosporamide a - bound form +CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C F6L 4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid +CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C F6M n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide +c1c(nc(o1)CN)C(=O)O F6N 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid +CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C F6O n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O F6P 6-o-phosphono-beta-d-fructofuranose +c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F6Q n,n-pyridylbenzimidazole derivative-pd complex +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O F6R fructose -6-phosphate +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F F6T (3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O F6U [(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N F6W 4-(2-phenylethylsulfanyl)benzenesulfonamide +C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O F6X [(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F6Y 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid +c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F6Z 3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid +c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N F70 cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 F71 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O F72 n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O F73 [(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate +C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O F74 8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate) +c1c(nc(s1)CN)C(=O)O F75 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N F76 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate +CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F77 3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid +COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O F78 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F F79 2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid +c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F F7A n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide +c1cc2c(cc1Cl)C(=O)CCS2 F7B 6-chloranyl-2,3-dihydrothiochromen-4-one +[C@H](C(=O)C(=O)O)(C(=O)O)O F7C (2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C F7D (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O F7E [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate +Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O F7F 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O F7H 4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one +c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4 F7I ~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N F7J 3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide +c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N F7K 2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one +c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F F7L (2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol +Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5 F7M 4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide +CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3 F7N [(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium +c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N F7O [(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O F7P 1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO F7Q (2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid +C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O F7R [(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +C[C@@H](C[C@@H](C(=O)O)NC)CO F7S (4s)-5-hydroxy-n-methyl-l-leucine +c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O F7T alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex +c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N F7U 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide +C/C=C/C[C@@H](C(=O)O)N F7V (2s,4e)-2-aminohex-4-enoic acid +c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N F7W 7-fluorotryptophan +c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N F7X [(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate +Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC F80 n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine +COc1cccc(c1O)Br F81 2-bromo-6-methoxyphenol +CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC F82 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl F83 (3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O F85 n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N F86 [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C F87 (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F88 ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O F89 s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F F8A 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC F8B ~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C F8C (1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO F8D 1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2 F8E methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate +[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N F8F (2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid +C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O F8G s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) +CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3 F8H ~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide +CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3 F8I ~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide +CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C F8J 2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC F8K [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C F8L [(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate +CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O F8M 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4 F8N ~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide +c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O F8P 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC F8Q [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C F8R 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone +c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O F8S 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid +C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC F8T [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium +C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O F8U (2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid +CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F F8V (3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide +c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid +[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N F8X 2-amino-2-deoxy-beta-d-altropyranuronic acid +CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C F8Y (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO F8Z 1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea +[H]/N=C(\N)/SCc1ccc(cc1)Cl F90 4-chlorobenzyl carbamimidothioate +c1cc2c(cc1NCc3ccncc3)OCCO2 F91 n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine +c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F F92 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol +c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O F93 (2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid +c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O F94 7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one +c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O F95 (7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid +CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5 F97 n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine +CC(=O)N(CCCP(=O)(O)O)O F98 3-[ethanoyl(hydroxy)amino]propylphosphonic acid +CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F F9A n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide +c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O F9B 2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol +C#CC[C@H](C(=O)O)N F9D (2r)-2-aminopent-4-ynoic acid +CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N F9E [(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate +c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O F9F 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate +COc1ccc(cc1O)Br F9G 5-bromo-2-methoxyphenol +Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4 F9J 5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine +CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F F9K (1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline +CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 F9N 3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide +C1CCC(CC1)C(=O)NO F9P n-hydroxycyclohexanecarboxamide +Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F F9Q 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O F9R digitoxin +c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O F9S 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O F9T 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C F9U (3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O F9V (2s)-2-phenylbutanedioic acid +c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO F9W (1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O F9X (2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid +c1cc(cc2c1cc[nH]2)C#N F9Y 1h-indole-6-carbonitrile +CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O F9Z 2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FA folic acid +c1cc(c(cc1F)N)C(=O)O FA0 2-amino-4-fluorobenzoic acid +C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O FA1 2,3 -anhydro-quinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N FA2 5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O FA3 2-anhydro-3-fluoro-quinic acid +[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO FA4 sm-25453 +c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FA5 adenosine-5'-[phenylalaninyl-phosphate] +C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O FA6 3-hydroxyimino quinic acid +CC(C)C\C=C\C=C/C(=O)O FA7 (2z,4e)-7-methylocta-2,4-dienoic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FA8 [[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8 FA9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O FAA n5-(4-hydroxybenzyl)flavin-adenine dinucleotide +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C FAB flavin-adenine dinucleotide-n5-isobutyl ketone +C(C(F)(F)F)(C(F)(F)F)(O)O FAC 1,1,1,3,3,3-hexafluoropropanediol +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAD flavin-adenine dinucleotide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O FAE flavin-n7 protonated-adenine dinucleotide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C FAF 2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O FAG [1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group +C(C(=O)O)F FAH fluoroacetic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N FAI 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O FAJ fad-trans-2-phenylcyclopropylamine adduct +C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N FAK n~6~-(trifluoroacetyl)-l-lysine +CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FAL (2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O FAM alpha-fluoro-amidocarboxymethyldethia coenzyme a complex +c1ccc(cc1)NC=O FAN formanilide +Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAO [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FAP (2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O FAQ phenylacetyl coenzyme a +C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C FAR farnesyl +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAS arabino-flavin-adenine dinucleotide +CCCCCCCCCCCCCCCC(=O)O FAT 1-hexyldecanoic acid +CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3 FAV n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC FAW (2s)-3-hydroxypropane-1,2-diyl ditetradecanoate +c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N FAX [(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FAY [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate +CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl FAZ 8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O FB 5a-formylbicyclomycin +C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C FB0 (2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1ccc(c(c1)S(=O)(=O)N)Cl FB1 2-chlorobenzenesulfonamide +c1ccc(cc1)S(=O)(=O)N FB2 benzenesulfonamide +c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl FB4 2-(2-amino-4-chlorophenoxy)-5-chlorophenol +B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O FB5 2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine +B(CCCCC(C)(C(=O)O)N)(O)O FB6 6-(dihydroxyboranyl)-2-methyl-l-norleucine +c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N FB7 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine +COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6 FB9 (3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide +c1cc(ccc1C[NH3+])F FBA 4-fluorobenzylamine +c1cc2c(cc1F)sc(n2)N FBB 6-fluoro-1,3-benzothiazol-2-amine +c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O FBC 3',5'-difluorobiphenyl-4-carboxylic acid +c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FBD n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid +C(/C=C/CN)C(=O)O FBE (3e)-5-aminopent-3-enoic acid +[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N FBF 4-(trifluoromethyl)benzenecarboximidamide +c1c(cc(c2c1COCO2)C(=O)O)F FBG 6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid +CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O FBI 7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid +C1CC=C(C1)C(=O)NO FBJ n-hydroxycyclopent-1-ene-1-carboxamide +c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O FBK 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O FBL (2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +C1CCC(=CC1)C(=O)NO FBM n-hydroxycyclohex-1-ene-1-carboxamide +c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-] FBN 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N FBO l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O FBP 1,6-di-o-phosphono-beta-d-fructofuranose +Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O FBQ 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol +CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br FBR (9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one +c1cc(ccc1F)S(=O)(=O)N FBS 4-fluorobenzenesulfonamide +c1cc(c(c(c1)F)S(=O)(=O)N)F FBT 2,6-difluorobenzenesulfonamide +c1c(cc(cc1F)S(=O)(=O)N)F FBU 3,5-difluorobenzenesulfonamide +c1ccc(c(c1)F)S(=O)(=O)N FBV 2-fluorobenzenesulfonamide +c1cc(cc(c1)S(=O)(=O)N)F FBW 3-fluorobenzenesulfonamide +CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F FBX ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate +CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F FBY (7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one +C[C@@H](CC(=O)O)c1ccccc1 FBZ (3s)-3-phenylbutanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O FC0 n-carboxy-l-phenylalanine +CN(C)CCCOC1=CC(=O)Sc2c1cccc2 FC1 thiocoumarin +c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl FC2 5-(2,5-dichlorophenyl)-2-furoic acid +c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F FC3 5-[2-(trifluoromethyl)phenyl]-2-furoic acid +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl FC4 (2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)C=CC(=S)O2 FC5 6-hydroxy-2h-chromene-2-thione +C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N FC6 hexacyanoferrate(3-) +C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC FC7 fusicoccin a-thf +CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N FC8 ~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine +c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N FC9 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O FCA alpha-d-fucopyranose +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O FCB beta-d-fucopyranose +c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5 FCC 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one +c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl FCD 5-(2-chlorophenyl)furan-2-carboxylic acid +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C FCE ferrichrome +c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2 FCF 3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid +Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O FCG (n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide +c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N FCH (2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C FCI ferricrocin-iron +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N FCJ 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine +c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2 FCK 3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid +c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL 3-chloro-l-phenylalanine +CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F FCM (9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +C[C@H]1[C@H](O1)P(=O)(O)O FCN fosfomycin +C(#N)[Fe](=C=O)C#N FCO carbonmonoxide-(dicyano) iron +CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O FCP (2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol +CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1 FCQ 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +c1cc(ccc1C(F)(F)F)O FCR alpha,alpha,alpha-trifluoro-p-cresol +C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C FCS (7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O FCT deoxy-2-fluoro-b-d-cellotrioside +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3 FCV 3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide +c1cc2c(cc1C3CCCCC3)CC(=O)N2 FCW 5-cyclohexyl-1,3-dihydroindol-2-one +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O FCX alpha-fluoro-carboxymethyldethia coenzyme a complex +C([C@@H](C(=O)O)N)S FCY free cysteine +Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N FCZ 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N FD1 n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N FD2 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N FD3 n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide +CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3 FD4 n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine +Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O FD5 [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl FD6 n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine +[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC FD7 n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea +c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F FD8 n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide +Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N FD9 (2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FDA dihydroflavine-adenine dinucleotide +Cc1c[nH]c2c1C(=O)NC(=N2)N FDB 2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O] FDC iron(iii) dicitrate +Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C FDD fe(iii) 2,4-dimethyl deuteroporphyrin ix +Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C FDE fe(iii) deuteroporphyrin ix +C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF FDF (2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O FDG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl FDH 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O FDI 4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FDJ 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO FDK (1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol +CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N FDL n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F FDM 3'-fluoro-3'-deoxythymidine monophosphate +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F FDN (5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O FDP 2,6-di-o-phosphono-beta-d-fructofuranose +C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O FDQ 2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol +CC1=Nc2c(c3c(s2)CCC3)C(=O)N1 FDR 2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one +c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O FDS fluorescin +Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O FDT (7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid +C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F FDU 1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O FDV 5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N FDW 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O FDY 5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2 FDZ 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea +[Fe+3] FE fe (iii) ion +C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O FE0 (1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC FE1 methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate +[Fe+2] FE2 fe (ii) ion +c1cc(c(cc1C(=O)O)Cl)CCN FE3 4-(2-aminoethyl)-3-chlorobenzoic acid +CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N FE5 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine +c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl FE6 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine +CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2 FE7 n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide +[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N FE8 (10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S FE9 iron-guanylyl pyridinol cofactor +[N-]=[N+]=N[Fe]O[Fe] FEA monoazido-mu-oxo-diiron +CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O FEB n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O FEC 1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O FED [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name) +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O FEE n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide +c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2 FEF (2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime} +Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O FEG 5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine +c1ccc(cc1)[C@H](CO)O FEH (1r)-1-phenylethane-1,2-diol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O FEJ (2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name) +C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO FEK (1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +[OH2][Fe+3]([OH2])[OH2] FEL hydrated fe +C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12 FEM n-(2-ferrocenylethyl)maleimide +CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C FEN n-(4-hydroxyphenyl)all-trans retinamide +O([Fe])[Fe] FEO mu-oxo-diiron +c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FEP [(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO FEQ (1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol +COc1cc(ccc1O)\C=C\C(=O)O FER 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid +S1[Fe]S[Fe]1 FES fe2/s2 (inorganic) cluster +COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F FEU 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine +CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O FEV (2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid +CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C FEW 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide +CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4 FEX methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FEY (1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O FEZ (1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate +c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O FF0 (2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol +Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C FF1 (4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1cc2c(cc(s2)C(=O)NO)c(c1)Cl FF2 4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide +c1(nnc(s1)N)C(F)(F)S(=O)(=O)N FF3 1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O FF4 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N FF5 ~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O FF7 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine +CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O FF8 (2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid +CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O FF9 (2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C FFA (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one +c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N FFB n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O FFC 2-deoxy-2-fluoro-b-d-cellobioside +c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O FFD (1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol +O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O FFE [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron +CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C FFF trifluorofurnesyl diphosphate +c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O FFG (r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN FFH 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O FFJ 2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C FFK [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate +C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N FFM s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine +CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1 FFN 5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one +c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N FFO n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1cc(c(c(c1)F)O)F FFP 2,6-difluorophenol +CC[C@H](O)P(=O)(O)O FFQ [(1r)-1-hydroxypropyl]phosphonic acid +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O FFR 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid +c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4 FFS n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine +CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C FFT (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C FFU n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide +C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F FFV n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O FFW 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one +C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O FFX (2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol +C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5 FFY n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC FFZ 3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide +c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2 FG0 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] +c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O FG1 n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC FG2 5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide +Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC FG3 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3 FG4 {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3 FG5 (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid +COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3 FG6 {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid +CCOC(=O)c1cccc(c1)N FG7 ethyl 3-aminobenzoate +c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl FG8 (~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide +c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N FG9 ~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine +C(CC(=O)O)[C@H](C(=O)O)N FGA gamma-d-glutamic acid +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N FGD n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3 FGE ~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide +CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC FGF n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C FGG (2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate +CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C FGH 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one +CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC FGJ (2r)-3-hydroxypropane-1,2-diyl dihexanoate +C(C(=O)O)(C(=O)O)N FGL 2-aminopropanedioic acid +CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O FGM (2r,3r)-2-hexyl-3-hydroxytridecanoic acid +c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl FGN (~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide +c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N FGO [(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate +[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N FGP 2-amino-3-hydroxy-3-phosphonooxy-propionic acid +Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F FGQ 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O FGR n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine +CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O FGS 5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol +c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O FGT 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one +CC(C)C[C@@H](C(=O)SCCNC(=O)C)N FGU s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate +C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O FGV (1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)] +CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C FGW dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium +[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O FGX [(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO FGY n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide +c1c(cc(c(c1Cl)O)Cl)C(=O)O FGZ 3,5-dichloro-4-hydroxybenzoic acid +CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5 FH0 ~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH1 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide +C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO FH2 (1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C FH3 (s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide +CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C FH4 n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide +Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C FH5 (s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide +C(C[C@H](C(=O)O)N)CN(C=O)O FH7 n^5^-formyl-n^5^-hydroxy-d-ornithine +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O FH8 5-carboxy methylrhodamine +CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O FH9 (2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N FHA 2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine +c1cc(c(cc1C(=O)O)F)O FHB 3-fluoro-4-hydroxybenzoic acid +c1cc(ccc1\C=C(/C(=O)[O-])\F)O FHC 2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate +CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C FHD 3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide +CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N FHE 2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F FHF n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N FHG 2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O FHH methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O FHI 2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid +Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4 FHJ dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O FHK 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid +C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N FHL (e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine +C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O FHM s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide +C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O FHN (2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium +C(C[C@@H](C(=O)O)N)CN(C=O)O FHO n^5^-formyl-n^5^-hydroxy-l-ornithine +CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C FHP 1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid +c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br FHQ ~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FHR ~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 FHS (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br FHT [[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O FHU (5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate +Cc1cccc(c1)NC(=O)N2CCCC2 FHV n-(3-methylphenyl)pyrrolidine-1-carboxamide +c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHW (2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N FHX 3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O FHY (2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid +COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN FHZ (2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide +CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O FI0 (2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5 FI1 6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl FI3 n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide +C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O FI4 (2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol +CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C FI8 fidaxomicin +c1(c(c(c(c(c1F)F)I)F)F)F FIB 1,2,3,4,5-pentafluoro-6-iodobenzene +c1cc2c(cc1F)cc([nH]2)C(=O)O FIC 5-fluoroindole-2-carboxylic acid +c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FID (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F FIF 2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid +c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O FIG 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid +Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F FIH 5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid +CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C FII [(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid +C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl FIJ 4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIK (1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC FIL (1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime +CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O FIN (1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid +[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N FIO n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine +c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O FIP 5-fluoroindole propanol phosphate +CN1C(=O)C=C(NC1=O)C2CC2 FIQ 6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione +c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3 FIR (2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3 FIS (2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C FIT (4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide +c1ccc2cc(ccc2c1)C(=O)O FIV naphthalene-2-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C FIW (1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O FIX d-fructuronic acid +Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6 FJ0 2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide +CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C FJ1 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one +CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC FJ2 n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide +CC(C)c1cc(c(cc1O)O)c2cc(on2)N FJ3 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol +COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl FJ4 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5 FJ5 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide +CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC FJ6 n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O FJ7 (1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid +Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2 FJ8 ~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide +c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5 FJ9 n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide +CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC FJA fusicoccin j aglycone +c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+] FJB [[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium +c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O FJC ~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl FJD 3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F FJE [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O FJF 5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione +C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5 FJG trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid +Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5 FJH ~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6 FJI 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O FJJ (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O FJK 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea +C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O FJL (2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O FJM (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8 FJN [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium +C(CO)C(O)(O)O FJO propane-1,1,1,3-tetrol +CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C FJP (2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate +c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl FJQ tioconazole +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C FJR 2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide +COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6 FJS n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide +c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2 FJT ~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide +[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC FJU 2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide +C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1 FJV 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine +c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O FJX 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol +Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C FJY 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline +c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3 FJZ n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide +c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O FK0 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol +c1cc(cc2c1cc[nH]2)Br FK1 6-bromo-1h-indole +C(C=O)C(=O)O FK2 3-oxidanylidenepropanoic acid +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O FK3 (3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O FK4 s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC FK5 8-deethyl-8-[but-3-enyl]-ascomycin +c1ccc(cc1)COC(=O)N FK8 (phenylmethyl) carbamate +CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O FK9 3-(propylsulfanyl)propyl alpha-d-mannopyranoside +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC FKA benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester +C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N FKB (2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C FKC (4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O FKD 3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N FKE 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C FKF (4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid +CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1 FKG 3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N FKH n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +C([C@@H](C(=O)C(=O)O)N)C(F)F FKI 5,5-di-fluoro-2-keto-3-aminopentanoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3 FKJ 3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F FKK 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5 FKL n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide +C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O FKM n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide +CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl FKN 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine +c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl FKO 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole +CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C FKP methylpiperazinoforskolin +c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O FKQ 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide +CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F FKR 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C(CCC(C(F)(F)F)(O)O)CCNCCCN FKS 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol +CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F FKU 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid +C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3 FKV 3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-] FKW 2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide +Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N FKY 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide +CCCCCCCCN FKZ octan-1-amine +c1ccc(cc1)C(=O)CBr FL0 2-bromanyl-1-phenyl-ethanone +c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N FL1 5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC FL2 flurbiprofen methyl ester +CC(=O)c1ccc2ccccc2c1 FL3 1-naphthalen-2-ylethanone +Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F FL4 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine +CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C FL5 12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium +COC(=O)C[C@@H](C(=O)O)N FL6 (2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid +CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl FL7 flurazepam +CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br FL8 6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone +c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O FL9 3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone +[C@H](C(=O)O)(C(F)(F)F)N FLA trifluoroalanine +CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F FLB 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene +C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O FLC citrate anion +COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC FLD bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine +CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1 FLE furoyl-leucine +c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F FLF 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid +CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O FLG fluoresceinylthioureido +C=O FLH formaldehyde +CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O FLI (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one +Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5 FLJ (3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone +C1C[NH+]=C(N1)NNC(=O)CCCl FLK 3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide +c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl FLL octahedral ru-pyridocarbazole +Cc1c(cccc1F)N FLM 3-fluoro-2-methyl-aniline +c1ccc(cc1)C2=CC(=O)c3ccccc3O2 FLN 2-phenyl-4h-chromen-4-one +[F-] FLO fluoro group +C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLP flurbiprofen +CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O FLQ n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide +C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O FLR (2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid +C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLS 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F FLT fluoromalonyl tyrosine +c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O FLU 2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid +c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O FLV flaviolin +CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F FLW 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3 FLX n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid +CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C FLY 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4 FLZ 8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O FM0 (3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid +CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1 FM1 2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol +C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FM2 2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O FM4 [(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid +CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O FM5 3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid +c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O FM6 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid +c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F FM7 [(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid +c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O FM8 [(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid +CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F FM9 4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide +CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C FMA 6-(3-tetradecanoic acid) flavine mononucleotide +C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMB formycin b +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O FMC (1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol +C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O FMD 4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one +CSCC[C@@H](C(=O)O)NC=O FME n-formylmethionine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O FMF 2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F FMG 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N FMH 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide +CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C FMI fe-(4-mesoporphyrinone)-r-isomer +Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N FMJ 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine +C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C FMK 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F FML 6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F FMM n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FMN flavin mononucleotide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O FMO 2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride +c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O FMP formycin-5'-monophosphate +Cc1c(cnn1c2ccc(cc2)F)CO FMQ [1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol +C(=C/C(=O)[O-])\C(=O)[O-] FMR fumarate +C(F)(F)(F)S(=O)(=O)N FMS trifluoromethane sulfonamide +C(=O)O FMT formic acid +C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F FMU 5-fluoro-5-methyluridine-5'-monophosphate +C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C FMV (1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol +CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C FMW ~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine +C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4 FMX famoxadone +c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 FMY n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C FMZ (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid +CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O FN0 (3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one +CN1CCC[C@H]1c2cc(cnc2)F FN1 5-fluoronicotine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FN2 (1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O FN3 [(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O FN5 cmp-3f(a)-neu5ac +c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N FN6 (2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid +Cc1cc(nc(c1C(=O)O)C)C FN7 2,4,6-trimethylpyridine-3-carboxylic acid +CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O FN8 (~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide +Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C FN9 3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one +c1ccc(cc1)Nc2cccc3c2cccc3 FNA n-phenylnaphthalen-1-amine +C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC FNB 1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4 FNC 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C FND 11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C(#O)[Fe]1(S[Ni]1)(C#O)C#O FNE (mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni) +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O FNF (2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N FNG 5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4 FNH (2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid +c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5 FNI 3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide +CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O FNJ 4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C FNK [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3 FNM (5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one +c1cc(c(cc1O)F)[N+](=O)[O-] FNN 3-fluoro-4-nitrophenol +CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C FNO 2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione +c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O FNP {[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid +c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FNQ 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O FNR 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol +Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-] FNS n-sulfo-flavin mononucleotide +C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O FNT (2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O FNU 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) +Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F FNV 4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile +Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N FNX (4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O FNY 1-fructofuranosyl-d-nystose +c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F FNZ 4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O FO0 6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O FO1 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol +CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 FO2 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O FO4 sphingomyelin +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N FO5 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile +c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F FO7 {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol +c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FO8 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N FO9 famotidine +c1cc(oc1)C(=O)O FOA 2-furoic acid +CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O FOB [(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O FOC fucitol +c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N FOD (2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid +CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N FOE 2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide +CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C FOF (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N FOG (4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid +CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C FOH (2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO FOI methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate +c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O FOJ 3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile +CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O FOK forskolin +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N FOL folic acid +C(CN(C=O)O)CP(=O)(O)O FOM 3-[formyl(hydroxy)amino]propylphosphonic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FON n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O FOO (3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid +C[C@H](C[NH3+])O FOP 2-hydroxy-propyl-ammonium +CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O FOQ [(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid +C=O FOR formyl group +c1ccc(cc1)COC(=O)NCP(=O)(O)O FOS [[n-(benzyloxycarbonyl)amino]methyl]phosphate +C1(=C(NC(=O)NC1=O)C(=O)O)F FOT 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +[C@H]1(C([C@H](NC(=O)N1)O)F)O FOU (5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F FOV n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline +c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6 FOW 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O FOX ((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 FOY 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N FOZ n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO FP0 (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate +CN\1C=CC=C/C1=C/NO FP1 n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine +c1ccc(c(c1)O)F FP2 2-fluorophenol +c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl FP3 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol +c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO FP4 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol +B(CNC(=O)Cc1ccccc1)(O)O FP5 phenylacetamidomethyl boronic acid +C1CCN(C1)C=O FP6 pyrrolidine-1-carbaldehyde +Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O FP7 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4 FP8 (1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +C1[C@H](CN[C@@H]1C(=O)O)F FP9 (4r)-4-fluoro-l-proline +C(=O)(C(F)(F)Br)O FPA bromo(difluoro)acetic acid +c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N FPB n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide +C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O FPC d-fructose-6-phosphate (open form) +C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O FPD 5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin +C([C@@H](C(=O)O)OP(=O)(O)O)F FPE 3-fluoro-2-(phosphonooxy)propanoic acid +CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C FPF (2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate +CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O FPG (1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate +c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1 FPH 3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol +C1CCN(CC1)C=O FPI n-formylpiperidine +CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FPJ 5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine +C1C[C@H](N(C1)C=O)C(=O)O FPK 1-formyl-l-proline +c1ccc(cc1)Oc2ccc(cc2O)F FPL 5-fluoro-2-phenoxyphenol +C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O FPM (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +c1cc(ccc1O)F FPN 4-fluorophenol +[O-]P(=O)([O-])F FPO fluoro-phosphite ion +CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPP farnesyl diphosphate +CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C FPQ (2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid +c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N FPR (3s)-3-amino-4-oxo-7-phenylheptanoic acid +CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C FPS s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N FPT n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5 FPU 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea +COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5 FPW 1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide +Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F FPX n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide +C1=C([C@@H](NC(=O)N1)O)F FPY (4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one +c1ccc(cc1)P(c2ccccc2)c3ccccc3 FPZ triphenylphosphane +CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C FQ0 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC FQ4 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQ5 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl FQ7 2-[(3,5-dichlorophenyl)amino]benzoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O FQ8 [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate +c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N FQA n~6~-benzyl-l-lysine +CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQB 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl FQC 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one +c1cc(ccc1c2csc3c2C(=O)NC=N3)F FQD 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one +CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQE 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C FQF (2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O FQG 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide +c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 FQH 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1cc(sc1C(=O)N)Cl FQI 5-chloro-2-thiophenecarboxamide +Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl FQJ 2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5 FQK 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O FQL (2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide +c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N FQM 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5 FQN 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O FQP 4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate +CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl FQQ 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one +C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQR [(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate +CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC FQT [(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate +C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O FQU 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate +CC#CC[Se]c1ccc(cc1)S(=O)(=O)N FQV 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide +c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N FQW 2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-] FQX [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide +c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2 FQY 4-(cyclohexylselanyl)benzene-1-sulfonamide +C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O FQZ (1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid +c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N FR0 n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O FR1 2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid +c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N FR2 1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide +c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N FR3 1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR4 1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N FR5 1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O FR6 1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide +C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O FR7 1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide +c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR8 1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N FR9 1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide +CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O FRA [4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid +c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N FRB 2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide +C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O FRC 1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide +C[C@H](Cc1ccccc1)N FRD 1-phenyl-2-aminopropane +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O FRE feruloyl coenzyme a +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N FRF phe-reduced-phe +[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC FRG 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester +[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O FRH 5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid +CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N FRI 2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide +CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br FRJ 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide +CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O FRK n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide +C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O FRL 1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide +Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F FRM 2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone +C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O FRO (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N FRP n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide +c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F FRQ 5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione +C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O FRR (3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4 FRS 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC FRT n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O FRU beta-d-fructofuranose +Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC FRV 4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O FRW 4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl FRX (s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl FRY (2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N FRZ 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine +S[Fe]1S[Fe]S1 FS0 fe2/s3 cluster +S=[Fe] FS1 iron/sulfur cluster +O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6 FS2 fe-s-o hybrid cluster +S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6 FS3 fe3-s4 cluster +[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92 FS4 iron/sulfur cluster +S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 FS5 iron/sulfur penta-sulfide connected clusters +C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1 FS7 (2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate +c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O FS8 n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide +c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F FS9 1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide +C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O FSA 1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose +c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F FSB n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC FSC fusicoccin +C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O FSD amicetin +c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O FSE 3,7,3',4'-tetrahydroxyflavone +O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3 FSF 4fe-2s-o hybrid cluster +[C@H](C(=O)NO)(F)P(=O)(O)O FSG [(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid +Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O FSH (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate +CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O FSI 5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O FSJ (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF FSK 6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(CC(=O)O)C(=O)O FSL (2r)-2-phenylbutanedioic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O FSM forsmann antigen +c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F FSN (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine +O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S] FSO iron/sulfur/oxygen hybrid cluster +CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F FSP [1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate +C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O FSQ (1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O FSR (2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C FSS 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C FST o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate +COCCCN1Cc2cccc(c2C1=O)C(=O)N FSU 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide +c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O FSV 5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O FSW methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside +[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5 FSX bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii) +Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O FSY fevipiprant +[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2 FSZ 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine +c1ccc(cc1)Oc2ccc(cc2O)C=O FT0 3-hydroxy-4-phenoxybenzaldehyde +c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl FT1 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde +c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl FT2 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol +c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl FT3 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol +CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F FT4 [(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid +C1[C@H](C(C(CC1C(=O)O)O)O)O FT5 (3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N FT6 6-fluoro-l-tryptophan +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C FT7 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide +c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S FT8 omapatrilat +c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3 FTA 3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F FTB n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl FTC n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea +C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F FTD [(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate +c1ccc(cc1)N=C=S FTE phenylisothiocyanate +c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O FTG (2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide +Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N FTH 1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N FTI 1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl FTJ (2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid +c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F FTK 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione +Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N FTL 4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile +C(C(=O)N)F FTM 2-fluoroacetamide +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F FTN n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O FTO ~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate +Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-] FTP 3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium +CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C FTQ bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold +c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N FTR fluorotryptophane +c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF FTS (3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +CCCCCCCCCCC[C@H](CC(=O)O)O FTT 3-hydroxy-tetradecanoic acid +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F FTU 5-fluorotubercidin +C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl FTV (2r)-2-(2,4-dichlorophenoxy)propanoic acid +CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC FTW 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl FTX (1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde +c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O FTY deoxy-difluoromethelene-phosphotyrosine +c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F FTZ n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine +c1cc(oc1)CCOC(=O)O FU0 2-(furan-2-yl)ethyl hydrogen carbonate +C1CCOC1 FU1 tetrahydrofuran +c1cc(oc1)C=O FU2 furfural +c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl FU3 2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O FU4 2,6-anhydro-1-deoxy-d-galactitol +Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F FU5 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine +C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2 FU6 3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide +CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F FU7 2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide +C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] FU8 dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+) +c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F FU9 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid +C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C FUA fusidic acid +C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O FUB beta-l-arabinofuranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O FUC alpha-l-fucopyranose +C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O FUD d-fructose +C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C FUE 2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O FUF 2-deoxy-2-fluoro-beta-l-fucopyranose +CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C FUG fumagillin +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O FUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl FUI n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea +COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O FUJ [(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C FUK 2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O FUL beta-l-fucopyranose +C(=C/C(=O)O)\C(=O)O FUM fumaric acid +c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl FUN 5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid +c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5 FUO 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F FUP 2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate +O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O FUQ mo5 cluster +c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-] FUR furazolidone +NS(=O)(=O)N FUS sulfuric diamide +c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3 FUU 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid +c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O FUV (5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine +c1cc(oc1CO)C=O FUX 5-hydroxymethyl-furfural +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O FUY beta-l-fucosyl-azide +c1ccc(c(c1)C(=O)O)NCc2ccco2 FUZ 2-[(furan-2-ylmethyl)amino]benzoic acid +CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O FV0 (2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol +C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O FV1 dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium +[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O] FV2 mo8 cluster +CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C FV3 (2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol +Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl FV4 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FV5 (1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl FV7 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O FV8 (4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O FV9 {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +CC(C)[C@@H](C(=O)O)NC=O FVA n-formyl-l-valine +B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O FVC [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl FVD 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C FVE (1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O FVF o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl FVG 1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N FVH [[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl FVJ 6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O FVK ~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl FVM 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole +C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O FVN ~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O FVP 2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside +c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O FVQ 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5 FVR 3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one +C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O FVS (7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol +C(CC(=O)O)C(=O)CN FVT 5-azanyl-4-oxidanylidene-pentanoic acid +c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F FVV 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole +CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O FVW (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F FVX fluvoxamine +Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F FVY 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine +c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F FVZ (2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC FW1 fusicoccin a aglycone +C([C@H]([C@H](CO)O)O)C(=O)C(=O)O FW2 l-2-keto-3deoxy-gluconate +Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F FW4 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole +COC[C@H](CO)O FW5 (2~{s})-3-methoxypropane-1,2-diol +CCc1cccc(c1)OP(=O)(O)O FW6 (3-ethylphenyl) dihydrogen phosphate +c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F FW7 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O FW8 1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea +COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4 FW9 n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl FWA 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole +C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N FWB 3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O FWC n-methylanthraniloyl-coa +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F FWD 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N FWE 4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C FWF n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4 FWG cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone +Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C FWH 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FWI (1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F FWJ 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O FWK (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol +C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O FWL 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4 FWM 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +CCOCCOCCOCCO FWN 2-[2-(2-ethoxyethoxy)ethoxy]ethanol +CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N FWO (2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid +COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWP 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWQ p-sulfonatocalix[6]arene +C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5 FWS (2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-] FWT p-sulfonatocalix[8]arene +c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl FWV n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide +C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O FWW 4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid +CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C FWX 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide +c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 FWY hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium +Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O FWZ (2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O FX0 (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid +C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O FX1 beta-d-threo-hexo-2,4-diulo-2,5-furanose +CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC FX2 7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one +COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O FX3 5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose +COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O FX4 [(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid +c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol +CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N FX6 (2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid +CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate +Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O FX8 (2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl FXA n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide +CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate +Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC FXE 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea +CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2 FXG n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide +CN(C)Cc1c2ccccc2ccc1O FXH 1-[(dimethylamino)methyl]naphthalen-2-ol +CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C FXI 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide +COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FXJ 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate +c1ccc2c(c1)c(c[nH]2)CO FXK 1~{h}-indol-3-ylmethanol +CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C FXM 2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate +c1cc2c(cc1F)cc([nH]2)C(=O)NCCS FXN 5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide +[H]/N=C(/N)\NCCCCNC(=N)N FXQ 1-(4-carbamimidamidobutyl)guanidine +CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O FXR 6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-] FXS 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate +[H]/N=C(/N)\NCCCCCNC(=N)N FXT 1-(5-carbamimidamidopentyl)guanidine +CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N FXU (2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide +C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-] FXV methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate +c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6 FXW 6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide) +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N FXX (3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid +CCCCCC[C@@H](C)NC=O FXY 1-methylheptylformamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O FY0 (2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid +COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-] FY1 n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide +c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O FY2 2,3-difluoro-l-tyrosine +c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N FY3 2,3,5-trifluoro-l-tyrosine +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-] FY4 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate +C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O FY5 estrone 3-sulfate +C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O FY6 (1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol +c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FY7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate +c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O FY8 n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide +CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O FY9 (2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one +c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N FYA adenosine-5'-[phenylalaninol-phosphate] +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O FYB ~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide +C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3 FYC 3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide +COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-] FYD 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate +c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O FYE 6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide +C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O FYF (1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol +C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N FYG (2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3 FYH 3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC FYI n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide +c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O FYJ phenyl 1-thio-beta-d-glucopyranosiduronic acid +c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O FYK 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O FYL 2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3 FYM 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O FYN s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate +C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N FYO 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile +CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F FYP ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate +CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N FYQ n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide +c1ccc(cc1)c2ccc(c(c2)O)C(=O)O FYR 2-oxidanyl-4-phenyl-benzoic acid +CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O FYS 4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol +C1=C(C(=O)NC(=O)N1)C=O FYU 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde +c1cc2ncc(n2nc1)c3ccncc3 FYV 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine +c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F FYW 6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide +c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N FYX 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile +B(c1ccccc1)(c2ccc(cc2)Br)OCCN FYY 2-aminoethyl (4-bromophenyl)phenylborinate +c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FYZ (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol +c1cc(cc(c1)OC(F)(F)F)NC(=O)CN FZ0 2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide +COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5 FZ1 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline +c1cc(ccc1CCCn2ccnc2)Cl FZ3 1-[3-(4-chlorophenyl)propyl]imidazole +B(c1ccccc1)(c2ccccc2)OCCN FZ4 2-aminoethyl diphenylborinate +CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O FZ5 scorzodihydrostilbene a +c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N FZ6 (2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide +c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4 FZ8 4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine +c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4 FZ9 4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine +CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC FZA (13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one +CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C FZB 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5 FZE 8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5 FZF 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5 FZH 8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C FZI (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid +CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C FZJ 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZK 5'-o-(n-(l-seryl)-sulfamoyl)uridine +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O FZL 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(cc1)c2cn3c(n2)CCC3 FZM 2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole +C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O FZN (2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O FZO 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F FZP (4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZQ 5'-o-(n-(l-seryl)-sulfamoyl)cytidine +Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4 FZR 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O FZS (2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O FZT 5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine +C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O FZU (2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 FZV tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F FZW 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(cc1)Cn2ccnc2C(=O)O FZX 1-(phenylmethyl)imidazole-2-carboxylic acid +Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C FZZ 1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G guanosine-5'-monophosphate +[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC G00 4-butoxy-3-chlorobenzyl imidothiocarbamate +C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O G01 n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F G02 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O G03 methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC G04 (3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC G05 (4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O G06 methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O G07 4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N G08 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5 G09 2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one +C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N G0B (1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O G0C [6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0D tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F G0E 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O G0F [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5 G0G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide) +Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0H 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0J nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide +Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F G0K 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3 G0M tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F G0N 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2 G0O (s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide +c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O G0P n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide +Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl G0Q ~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +[H]/N=C(/N)\NCCCCNC(=O)C G0R n-(4-carbamimidamidobutyl)ethanamide +C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O G0S 3-(beta-d-galactopyranosylthio)propanoic acid +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O G0T (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O G0U 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0V tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-] G0W 1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil +c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl G0X 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G0Y tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O G0Z [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N G10 (3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4 G11 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide +CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br G12 3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one +C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC G13 n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide +c1ccc(cc1)c2[nH]cc(n2)C(=O)O G14 2-phenyl-1h-imidazole-4-carboxylic acid +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl G15 5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O G16 1,6-di-o-phosphono-alpha-d-glucopyranose +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F G17 n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide +c1ccc2c(c1)-c3ccsc3NC2=O G18 4h-thieno[2,3-c]isoquinolin-5-one +C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O G19 (2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N G1C 5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3 G1D nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N G1E (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide +Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O G1G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine +C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C G1H 2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3 G1J tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O G1K 5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid +CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F G1L 3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide +C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G1M 2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine +c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O G1N 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC1=CNC(=O)c2c1c(ccc2)N G1O 5-amino-4-methylisoquinolin-1(2h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O G1P 1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N G1R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC G1S diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1T 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO G1W methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate +C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N G1X (2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid +c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4 G1Y n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide +c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F G1Z 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one +[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O G20 5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C G21 5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C G23 (2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid +Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O G24 [4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N G25 guanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C G26 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide +c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO G27 (3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol +CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C G28 5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid +CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C G29 (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione +CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO G2A 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate +C[C@@H]([C@@H](CNC(=O)N)N)O G2B 1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N G2C 2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5 G2D n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O G2F 2-deoxy-2-fluoro-alpha-d-glucopyranose +Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6 G2G 5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium +C(C(CO)OP(=O)(O)O)O G2H 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO G2I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5 G2J n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O G2K 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O G2L 3'-o-methyoxyethyl-guanosine-5'-monophosphate +CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O G2M 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3 G2N ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C G2O chlorophyll a ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N G2P phosphomethylphosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N G2Q guanosine diphosphate ribose +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N G2R [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N G2S guanosine-5'-dithiophosphorate +CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC G2T diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate +CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4 G2V 6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline +C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F G2X 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O G2Y 1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside +C[C@@H](CNC(=O)O)N G2Z [(2~{s})-2-azanylpropyl]carbamic acid +c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F G30 (1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid +C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N G31 3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G32 o6-methyl-2'-deoxy-guanosine-5'-monophosphate +Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N G33 8-methyl-2'-deoxyguanosine 3'-monophosphate +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C G34 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate +[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O G35 (5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione +CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O G36 o6-ethyl-2'-deoxyguanosine-5'-monophosphate +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C G37 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N G38 3'-amino-2'-deoxy-guanosine-5'-monophosphate +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O G39 (3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G3A guanosine-p3-adenosine-5',5'-triphosphate +Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C G3B 2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole +c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O G3C (1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N G3D guanosine-3'-monophosphate-5'-diphosphate +c1ccc2c(c1)C=C(C(=O)N2)O G3E 3-hydroxyquinolin-2(1h)-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O G3F 3-deoxy-3-fluoro-beta-d-glucopyranose +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N G3G n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide) +C([C@H](C=O)O)OP(=O)(O)O G3H glyceraldehyde-3-phosphate +C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO G3I (3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl G3J 1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one +CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl G3K 2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C G3L nomilin +[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O G3M (3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N G3N (2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O G3O (1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol +C([C@H](COP(=O)(O)O)O)O G3P sn-glycerol-3-phosphate +CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O G3Q r-talinolol +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2 G3R 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol +CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O G3S 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid +CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3 G3T 1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F G3U 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO G3V n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid +c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F G3W 2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O G3X (4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol +CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4 G3Z 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea +CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O G40 methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate +C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O G42 8-oxo-2'-deoxy-guanosine-5'-monophosphate +CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC G43 [(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate +[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N G44 4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N G45 5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N G46 guanosine-5'-monothiophosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS G47 n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O G48 2'-o-methyoxyethyl-guanosine-5'-monophosphate +CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 G49 n2-methyl-2'-deoxy-guanosine-5'-monophosphate +CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O G4A 2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium +CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C G4B thalassospiramide c +C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O G4C 2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone +C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO G4D 4-deoxy-alpha-d-glucopyranose +Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4 G4E ~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N G4F [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N G4G 4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4H ~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide +Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F G4J [(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7 G4K borussertib +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O G4M [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4N ~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide +CC(C)N G4O propan-2-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N G4P guanosine-5',3'-tetraphosphate +CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4Q ~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O G4S 4-o-sulfo-beta-d-galactopyranose +CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 G4T ~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide +CCCCCCCCCCCCCC=S G4U tetradecanethial +[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F G4V (z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine +c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N G4W 6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile +CCCCCCCCCCCCCCCC=S G4X hexadecanethial +[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5 G4Y n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl G4Z (1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol +c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O G50 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F G51 (5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G52 (3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC G53 methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate +C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N G54 [(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC G55 (5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F G56 (2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N G57 2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid +Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F G58 n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C G59 (5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N G5A 5'-o-(glycylsulfamoyl)adenosine +C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl G5B (3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione +CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N G5C 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N G5D 4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide +c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F G5E 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione +C[C@](C[C@@H](C(=O)O)N)(CO)O G5G (2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5H 5'-o-(n-(l-aspartyl)-sulfamoyl)uridine +COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O G5J 5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine +C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G5K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one +CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O G5L 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O G5M (2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5N 5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl G5O 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N G5P p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O G5Q 5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine +Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4 G5R 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea +c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3 G5T 3-(6-morpholin-4-ylpyridin-2-yl)phenol +CC1=C(C(=O)C(=CO1)O)C(=O)O G5V 5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N G5W (2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N G5X 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide +C1=COC(=C(C1=O)O)C(=O)O G5Y 3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid +C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N G5Z (2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide +Cc1c(c2cc(ccc2[nH]1)Cl)CCN G60 2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC G61 tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate +c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4 G62 3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol +C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N G63 mannose-alpha-1,3-2-aminodeoxymannojirimycin +Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O G64 n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C G65 masitinib +CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC G67 (3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide +c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 G68 3-[6-(oxan-4-yl)pyridin-2-yl]phenol +CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO G69 n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de +Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4 G6A n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide +C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N G6B (2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide +C1=CC(=O)NC=C1O G6C 5-oxidanyl-1h-pyridin-2-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O G6D alpha-d-quinovopyranose +C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N G6E (2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N G6F 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C G6G n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F G6H n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F G6I n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide +CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F G6J (7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one +CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5 G6K 1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one +CCCN[C@H]1CCc2c(sc(n2)N)C1 G6L (6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3 G6M 2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O G6O (4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O G6P 6-o-phosphono-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O G6Q glucose-6-phosphate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G6R n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O G6S 6-o-sulfo-beta-d-galactopyranose +c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N G6T 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide +CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F G6U ~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine +c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3 G6V 2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide +CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N G6W 2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O G6X 2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O G6Y 3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid +CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N G6Z 1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C G70 (2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid +c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G71 n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O G72 (1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N G73 (2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C G74 ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 G75 ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] G76 [2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate) +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G77 (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC G79 (3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F G7A (5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid +CC(=O)c1csc(n1)NC(=O)C(C)(C)N G7B 2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide +c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O G7D n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid +CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4 G7E ~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O G7G genistein-7-o-glucuronide +CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O G7H (2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide +C1C=C2C=C(C(=O)C=C2N1)O G7J 5-hydroxy-1,2-dihydro-6h-indol-6-one +COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F G7K trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O G7M n7-methyl-guanosine-5'-monophosphate +[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C G7N (2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide +C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O G7P 6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose +CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F G7Q (2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide +Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F G7T ~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N G7V 4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N G7W (~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C G7X ispinesib mesilate +CNC(=O)CCN1C(=O)CCC1=O G7Z 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide +C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C G80 (3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C G81 ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G82 ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3 G83 ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5 G84 o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3 G85 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C G86 n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide +Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl G87 metosulam +C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O G88 (2s)-2-(phosphonomethyl)pentanedioic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC G89 (3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC G8A ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N G8B 3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC G8C 1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O G8D [(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate +c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N G8E 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide +COc1cccc(c1)S(=O)(=O)N G8F 3-methoxybenzenesulfonamide +Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C G8G (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate +c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3 G8H 2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide +CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3 G8J 6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine +COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4 G8K [2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +c1cc2cccnc2c(c1)S(=O)(=O)N G8L quinoline-8-sulfonamide +C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O G8M (1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N G8N 3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide +COc1cc(c(cc1c2cccs2)C(=O)O)OC G8O 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid +CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O G8Q (1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 G8R (1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl G8S 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O G8T (1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol +Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl G8U 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol +CN(C)c1cc[n+](cc1)Cc2ccccc2 G8V 1-benzyl-4-(dimethylamino)pyridinium +c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F G8W (2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1CN[C@@H]([C@@H]1O)C(=O)O G8X (2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid +c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G8Y (8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO G8Z prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside +CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O G90 2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile +c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF G91 (8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol +COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F G92 [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone +CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4 G93 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol +c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O G94 n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid +c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4 G95 n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide +CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4 G97 n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide +CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4 G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol +C(/C=C/C(=O)O)C(=O)O G9A (2e)-pent-2-enedioic acid +CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N G9B n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide +C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F G9C n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide +c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4 G9D 3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one +COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F G9E [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone +CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O G9F 2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3 G9G 2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one +CN(C)Cc1nc2cccc3c2n1CCNC3=O G9H 2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5 G9I 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O G9J (2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol +COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5 G9K [2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone +c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4 G9L 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one +c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O G9M n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide +COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl G9N (2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide +CCCCCCCCCCCCCC(=O)NO G9O n-oxidanyltetradecanamide +c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O G9P (11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid +CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C G9Q 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid +CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C G9R chlorophyll d isomer +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O G9S s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br G9U (6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5 G9V 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O G9W (3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one +c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl G9X (6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one +C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4 G9Y 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one +C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O G9Z agropinic acid +[Ga+3] GA gallium (iii) ion +C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN GA0 glycylalanyl-n-2-naphthyl-l-prolineamide +c1nc2c(n1COC(CO)CO)N=C(NC2=O)N GA2 9-(1,3-dihydroxy-propoxymethane)guanine +C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O GA3 gibberellin a3 +C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O GA4 gibberellin a4 +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA5 tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O GA6 3-[4-(methylsulfonylamino)phenyl]benzoic acid +C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O GA7 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC GA8 tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate +c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl GA9 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one +c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] GAA 3-nitrophenyl alpha-d-galactopyranoside +c1cc(cc(c1)N)C(=O)O GAB 3-aminobenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO GAC dihydro-acarbose +C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O GAD 2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid +[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O GAE d-galactaric acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O GAF 2-deoxy-2-fluoro-alpha-d-galactopyranose +c1c(c(no1)O)C(=O)O GAG 3-hydroxyisoxazole-4-carboxylic acid +[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N GAH n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide +C(=N)(N)N GAI guanidine +c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4 GAJ n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide +S1[Ga]S[Ga]1 GAK [2ga-2s] cluster +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GAL beta-d-galactopyranose +C[C@](CCC(=O)O)(C(=O)O)N GAM alpha-methyl-l-glutamic acid +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N GAN 2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N GAO guanine arabinose-5'-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N GAP glycyl-adenosine-5'-phosphate +C(CCO)CC=O GAQ 5-hydroxypentanal +C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-] GAR glycinamide ribonucleotide +c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N GAS n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid +c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O GAT 4-aminophenyl alpha-d-galactopyranoside +C(CC(=O)O)[C@@H](CO)N GAU (4s)-4-amino-5-hydroxypentanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N GAV guanosine-5'-rp-alpha-thio-triphosphate +Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C GAW 2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide +c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 GAX 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea +COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GAZ l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine +CP(=O)(O)O GB methylphosphonic acid ester group +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GB0 bacteriochlorophyll g' +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB1 (2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O GB2 (2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol +C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O GB3 (2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol +c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO GB4 (2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide +c1cc(ccc1\C=C\C(=O)NO)Cl GB5 (2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide +c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O GB6 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one +CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2 GB7 (3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one +c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N GB8 (2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F GB9 n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N GBA 8-bromoadenosine +C1CC(C=C(C1)C(=O)O)N GBC gabaculine +c1(c(nsn1)O)C(=O)O GBD 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid +C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O GBE 3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid +CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C GBF bacteriochlorophyll g +[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N GBG n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine +C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O GBH 2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid +c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBI s-(3-iodobenzyl)glutathione +CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C GBJ 4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol +COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3 GBK (2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine +C1CC(=O)OC1 GBL gamma-butyrolactone +COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl GBM 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide +C1CCC(CC1)(CC(=O)O)CN GBN [1-(aminomethyl)cyclohexyl]acetic acid +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 GBO (2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br GBP s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F GBQ 5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N GBR 5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O GBS 4-carbamimidamidobenzoic acid +Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5 GBT (8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one +Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C GBU (1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol +c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3 GBV n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O GBW (2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GBX 2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid +c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O GBZ (2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid +C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O GC1 2,6-anhydro-l-gulonic acid +CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O GC2 6-acetamido-6-deoxy-castanospermine +C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O GC3 (3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol +C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O GC4 4-deoxy-beta-d-glucopyranuronic acid +c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N GC6 [(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone +C(CCCN)CCCNC(N)N GC7 1-guanidinium-7-aminoheptane +c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl GC8 2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide +C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O GC9 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C GCA 6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil +[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O GCB (2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid +C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N GCC [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone +C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O GCD 4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid +CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC GCE (2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N GCF 3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N GCG bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine +C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C GCH glycocholic acid +c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O GCK phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O GCL 1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane +CC(=O)CN GCM glycylmethylene group +C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N GCN 2-amino-2,3-dideoxy-alpha-d-glucoyranose +C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O GCO d-gluconic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GCP phosphomethylphosphonic acid guanylate ester +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F GCQ gemcitabine diphosphate +CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C GCR gallichrome +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O GCS 2-amino-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O GCT 2,6-anhydro-3-deoxy-l-xylo-hexonic acid +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O GCU alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O GCV 4-o-methyl-alpha-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O GCW 4-o-methyl-beta-d-glucopyranuronic acid +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O GCY n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2 GCZ n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide +[Gd] GD gadolinium atom +CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I GD0 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol +[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N GD1 2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +[Gd+3] GD3 gadolinium ion +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C GD4 (5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione +Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl GD5 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine +C[C@H](C(C)(C)C)O[P@@H](=O)C GD7 (1r)-1,2,2-trimethylpropyl (r)-methylphosphinate +C[C@H](C(C)(C)C)O[P@H](=O)C GD8 (1r)-1,2,2-trimethylpropyl (s)-methylphosphinate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6 GD9 2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O GDA 4-amino-4-deoxy-beta-d-glucopyranose +c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDB 1-(s-glutathionyl)-2,4-dinitrobenzene +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDC guanosine-5'-diphosphate-beta-l-galactose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GDD guanosine-5'-diphosphate-alpha-d-mannose +c1c(cc(c(c1O)O)O)C(=O)O GDE 3,4,5-trihydroxybenzoic acid +CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC GDF vinorelbine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N GDG gdp-alpha-d-glucose +Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC GDH 7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3 GDI (2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide +Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3 GDK 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O GDL 2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC GDM geldanamycin +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GDN glutathione s-(2,4 dinitrobenzene) +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N GDO 3'-deoxy-guanosine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GDP guanosine-5'-diphosphate +C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO GDQ (1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GDR guanosine-5'-diphosphate-rhamnose +C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GDS oxidized glutathione disulfide +CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O GDT (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O GDU galactose-uridine-5'-diphosphate +CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3 GDV (5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide +CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2 GDW 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N GDX guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester +c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3 GDY (5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C GDZ 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one +CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O GE0 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate +C1C[C@H]([C@H](O[C@@H]1CN)O)N GE1 2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose +C1[C@H](CC(C[C@H]1N)O)N GE2 3,5-diamino-cyclohexanol +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O GE3 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC GE5 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F GE6 [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C GE7 (2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid +CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl GE8 2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide +C1CN(CCN1CCC=O)CCC=O GEB 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal +COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O GEC 4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +CCOC(=O)CN GEE ethyl glycinate +COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O GEF 4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol +C\C=C(/CCC(=O)O)\N GEG (4e)-4-aminohex-4-enoic acid +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl GEH 2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F GEI (2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N GEK (2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate +CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O GEL 1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine +C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N GEM (2-guanidinoethylmercapto)succinic acid +c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O GEN genistein +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F GEO gemcitabine +C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O GEP n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion +c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6 GEQ 5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C GER geran-8-yl geran +CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C GES 3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name) +C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O GET geneticin +Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C GEU 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione +Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 GEV (5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione +Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC GEW 3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide +CSc1ccccc1N2CCNCC2 GEX 1-(2-methylsulfanylphenyl)piperazine +CCCCCCCCC/C=C\C(=O)O GEY (2z)-dodec-2-enoic acid +Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C GEZ 6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N GF0 2'-deoxy-2'-fluoroguanosine +C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O GF1 (2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GF2 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate) +c1ccc2c(c1)COC23CCNCC3 GF3 spiro[1h-2-benzofuran-3,4'-piperidine] +CCC1=C(NN(C1=O)c2[nH]nnn2)C GF4 4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one +C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GF5 (2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +c1cc(cc(c1)NC(=O)N)C(F)(F)F GF6 1-[3-(trifluoromethyl)phenyl]urea +CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O GF7 (3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid +c1cc(c(cc1CC(=O)NCCS)Cl)Cl GF8 2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide +CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl GF9 2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl GFA 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O GFB guanosine-5'-diphosphate-beta-l-fucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GFC 5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C GFE 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N GFF 2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N GFH 2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6 GFJ 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine +COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F GFK 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one +c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N GFL 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one +C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O GFM 2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F GFN 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4 GFO 2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O GFP 2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose +CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GFQ 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O GFR 4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1 GFT (2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid +COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O GFU 4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol +C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O GFV hydroxy pioglitazone (m-iv) +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C GFW ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5 GFZ 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide +C(C(=O)NCC(=O)O)N GG0 2-(2-azanylethanoylamino)ethanoic acid +CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4 GG1 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid +COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O GG2 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide +C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O GG3 {1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-] GG4 (2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide +c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F GG5 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine +C[C@@H]([C@@H](O)P(=O)(O)O)O GG6 [(1s,2s)-1,2-dihydroxypropyl]phosphonic acid +C[C@H](N)P(=O)(O)O GG7 [(1r)-1-aminoethyl]phosphonic acid +c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GG8 ~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O GG9 (3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N GGA d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide +[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N GGB l-canavanine +c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GGC 1-menaphthyl glutathione conjugate +CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC GGD nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester +COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O GGE (1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N GGF 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one +C(C(=O)NCC(=O)NCC(=O)O)N GGG glycylglycylglycine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N GGH 2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine +COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N GGJ 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine +CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F GGK 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +C(CC(=O)O)[C@@H](C(=O)O)N GGL gamma-l-glutamic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O GGM 3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate +CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GGN 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2 GGO (4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one +c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O GGP beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose +CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C GGS phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid +Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O GGT trioxacarcin a +CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC GGV methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC GGW methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate +Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C GGX methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate +C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C GGY 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N GGZ (2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide +COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3 GH1 (5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GH2 ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N GH3 3'-deoxy-guanosine-5'-triphosphate +[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F GH4 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile +c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F GH5 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one +C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O GH7 (3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid +CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5 GH8 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide +C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O GHA 1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt +CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F GHB 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHC n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O GHE (2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid +C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O GHG (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name) +C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C GHJ (3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N GHK 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide +c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O GHM benzene-1,2,4-tricarboxylic acid +CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GHN ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate +c1cc(ccc1[C@H](C(=O)O)N)O GHP (2r)-amino(4-hydroxyphenyl)ethanoic acid +c1ccc(cc1)C(=O)NCCC(F)(F)F GHQ ~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl GHR [[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate +[H]/N=C(\N)/NCCCCCC(=O)O GHS 6-carbamimidamidohexanoic acid +CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O GHT boldine +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC GHU ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate +CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO GHV (2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide +Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GHW n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 GHX (phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHY propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO GHZ 2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate +CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O GI1 methoxycarbonyl-substituted glucoimidazole +COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GI2 methyl acetate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O GI3 carboxylate-substituted glucoimidazole +c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O GI4 methyl acetic acid-substituted glucoimidazole +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N GI6 (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N GI8 (4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile +c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O GIA 3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O GIC n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine +C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO GIF d-galacto-isofagomine +COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F GIG methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate +[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N GIL 2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid +c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O GIM glucoimidazole +CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3 GIN 2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide +C1C[C@H]2C(=O)NCC(=O)N2C1 GIO cyclo-(glycine-l-proline) inhibitor +c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I GIP s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione +Cn1c2ccc3c(c2nc1N)cccn3 GIQ 3-methyl-3h-imidazo[4,5-f]quinolin-2-amine +c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O GIR girodazole +CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl GIS ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate +CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3 GIT [1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate +C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O GIV beta-l-galactopyranose +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C GIX protoporphyrin ix containing ga +Cc1cc(ccc1OCc2cccc(n2)CO)OC GJ1 {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol +c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F GJ2 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide +CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F GJ5 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N GJ7 2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide +c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F GJ8 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N GJA 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide +c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O GJB 1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N GJD 4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide +c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-] GJE 4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide +c1cc(ncc1C(=O)N)NC2CCCCC2 GJG 6-(cyclohexylamino)pyridine-3-carboxamide +CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N GJJ 6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide +CC(=O)/C=C/c1ccc(c(c1)OC)O GJK (~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one +Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C GJL 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one +CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-] GJO 4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide +c1ccc2c(c1)c(c(cn2)C(=O)O)O GJP 4-hydroxyquinoline-3-carboxylic acid +c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-] GJQ (2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine +c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl GJR 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine +c1cc(c(cc1O)C(=O)O)C(=O)O GJS 4-hydroxybenzene-1,2-dicarboxylic acid +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O GJT (3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid +C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl GJU 9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N GJV 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine +c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4 GJW 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one +CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F GJY methyl-9z,12z,15z-octadecatrienylphosphonofluoridate +c1ccc(cc1)[C@@H]2C[C@H]2N GJZ (1r,2s)-2-phenylcyclopropanamine +c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O GK0 3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide +Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O GK1 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde +B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O GK2 [(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid +Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C GK3 n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C GK4 n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4 GK5 n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide +Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5 GK6 n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C GK7 methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N GK8 {[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl +COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl GK9 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C GKA (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide +Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F GKB (2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide +C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GKC (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N GKD guanosine 5'-diphosphate-4-keto-beta-l-gulose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N GKE guanosine 5'-diphosphate-beta-l-gulose +c1cc(c2c(c1)c(n[nH]2)I)C=O GKF 3-iodanyl-1~{h}-indazole-7-carbaldehyde +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C GKG 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O GKH [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate +CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C GKJ pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N GKK 2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile +CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N GKL n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C GKM 1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O GKN 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid +c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O GKP (2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid +c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4 GKQ ~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide +[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O GKR d-glucarate +C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O GKS 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol +Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4 GKT 3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +C[C@H](Cc1ccc(cc1)O)NC GKU 4-[(2r)-2-(methylamino)propyl]phenol +COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO GKW 1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2 GKX (2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid +CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC GKY n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine +Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl GKZ 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide +C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O GL0 beta-d-gulopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O GL1 1-o-phosphono-alpha-d-galactopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O GL2 (5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +C(C(=O)S)N GL3 thioglycin +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O GL4 (5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O GL5 (5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione +COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC GL6 n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine +CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL7 8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione +COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O GL8 galanthamine derivative +CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O GL9 n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLA alpha-d-galactopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GLB beta-d-galactose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O GLC alpha-d-glucopyranose +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O GLD 4,6-dideoxy-alpha-d-xylo-hexopyranose +CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC GLE 1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O GLF alpha-d-glucopyranosyl fluoride +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O GLG alpha-d-glucopyranosyl-2-carboxylic acid amide +C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N GLH n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine +CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O GLI ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome +C(CC(O)O)[C@@H](C(=O)O)N GLJ 5,5-dihydroxy-l-norvaline +C(CC(=O)O)[C@@H](C(O)O)N GLK (4s)-4-amino-5,5-dihydroxypentanoic acid +C12C(NC(=O)N1)NC(=O)N2 GLL glycoluril +CC(=O)CN GLM 1-amino-propan-2-one +C(CC(=O)N)[C@@H](C(=O)O)N GLN glutamine +C(CC(=O)N)[C@@H](C(=O)[O-])[NH-] GLN_LEO2 l-glutamine c-terminal deprotonated fragment +C(CC(=O)N)[C@@H](C(=O)O)[NH-] GLN_LEO2H l-glutamine c-terminal protonated fragment +C(CC(=O)N)[C@@H](C(=O)O)N GLN_LFOH l-glutamine free neutral +C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] GLN_LFZW l-glutamine free zwitterion +C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL l-glutamine - linking embedded fragment +C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 l-glutamine n-terminal protonated fragment +C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O GLO d-glucose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O GLP 2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose +C(CC(=O)O)C(C=O)N GLQ 4-amino-5-oxo-pentanoic acid +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] GLR 2,3-dihydroxy-5-oxo-hexanedioate +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O GLS beta-d-glucopyranose spirohydantoin +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O GLT 5-thio-alpha-d-glucopyranose +C(CC(=O)O)[C@@H](C(=O)O)N GLU glutamic acid +C(CC(=O)O)[C@@H](C(=O)[O-])[NH-] GLU_LEO2 l-glutamic acid c-terminal deprotonated fragment +C(CC(=O)O)[C@@H](C(=O)O)[NH-] GLU_LEO2H l-glutamic acid c-terminal protonated fragment +C(CC(=O)[O-])[C@@H](C(=O)O)[NH-] GLU_LEO2H_DHE2 l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2 +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-] GLU_LEO2_DHE2 l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)O)N GLU_LFOH l-glutamic acid free neutral +C(CC(=O)[O-])[C@@H](C(=O)O)N GLU_LFOH_DHE2 l-glutamic acid-free neutral/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+] GLU_LFZW l-glutamic acid free zwitterion +C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GLU_LFZW_DHE2 l-glutamic acid-free zwitterion/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL l-glutamic acid - linking embedded fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2 +C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 l-glutamic acid n-terminal protonated fragment +C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2 +C(=O)C(=O)O GLV glyoxylic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O GLW 6-deoxyglucose +*=C(*)CC[C@@H](C(=O)O)N GLX glu/gln ambiguous +C(C(=O)O)N GLY glycine +C(C(=O)[O-])[NH-] GLY_LEO2 l-glycine c-terminal deprotonated fragment +C(C(=O)O)[NH-] GLY_LEO2H l-glycine c-terminal protonated fragment +C(C(=O)O)N GLY_LFOH l-glycine free neutral +C(C(=O)[O-])[NH3+] GLY_LFZW l-glycine free zwitterion +C([C-]=O)[NH-] GLY_LL l-glycine - linking embedded fragment +C([C-]=O)[NH3+] GLY_LSN3 l-glycine n-terminal protonated fragment +C(C=O)N GLZ amino-acetaldehyde +C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O GM0 4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose +C(C(=O)N)N GM1 aminomethylamide +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O GM2 n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O GM3 n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide +C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O GM4 (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol +c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO GM5 ~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC GM6 3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide +c1cc(c(cc1N)C(=O)O)C(=O)O GM7 4-aminobenzene-1,2-dicarboxylic acid +CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O GM8 (2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid +CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3 GM9 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +C(CC(=O)O)[C@@H](C(=O)N)N GMA 4-amido-4-carbamoyl-butyric acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMB 1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O GMC (2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO GMD (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol +COC(=O)CC[C@@H](C(=O)O)N GME 5-o-methyl-glutamic acid +[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC GMF 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine +c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O GMG [4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid +C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O GMH l-glycero-alpha-d-manno-heptopyranose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O GMI [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F GMJ 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one +COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O GMK (3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide +CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GMM glucose monomycolate +CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC GMN 2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium] +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O GMO {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N GMP guanosine +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C GMQ 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one +CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C GMR 3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N GMS 2'-deoxyguanosine-5'-monoselenophosphate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O GMT (2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N GMU 2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N GMV guanosine-5'-phosphovanadate +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O GMW (9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O GMX 2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one +C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC GMY geldanamycin +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O GMZ 1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN0 (2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O GN1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl GN2 (2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N GN3 [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O GN4 2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose +CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 GN5 2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one +c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N GN6 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N GN7 n7-2'-deoxy-guanosine-5'-monophosphate +c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S GN8 (z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one +CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C GN9 gallinamide a, bound form +CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N GNA 2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid +c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GNB s-p-nitrobenzyloxycarbonylglutathione +CN[C@@H](CCC(=O)N)C(=O)O GNC n~2~-methyl-l-glutamine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+] GND 2-amino-5-guanidino-pentanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O GNE 1,n2-ethenoguanine +COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3 GNF n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N GNG 2'-deoxy-guanosine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N GNH aminophosphonic acid-guanylate ester +c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl GNI (3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid +c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O GNJ 4-hydroxy-8-sulfoquinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl GNK (1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one +CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O GNL (3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O GNM 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4 GNO 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GNP phosphoaminophosphonic acid-guanylate ester +C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3 GNQ n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide +c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO GNR 2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O GNS 2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose +C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O GNT (-)-galanthamine +COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO GNU (2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O GNV 4-hydroxyquinoline-3,8-dicarboxylic acid +c1cc(cc(c1)Cl)CN2CCNCC2 GNW 1-[(3-chlorophenyl)methyl]piperazine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O GNX 2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +CC(C)c1cccc2c1ncc(c2O)C(=O)O GNY 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid +c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F GNZ (1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one +c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl GO0 3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid +c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl GO1 3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid +[H]/N=C(/N)\Nc1nc2ccccc2s1 GO2 1-(1,3-benzothiazol-2-yl)guanidine +c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl GO5 (1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one +COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO GO6 (2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol +CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O GO7 2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide +CC(C)Sc1[nH]c2c(ncnc2n1)N GO8 8-propan-2-ylsulfanyl-7~{h}-purin-6-amine +C(COCCOCC(CO)(COCCO)COCCO)O GO9 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol +C(C(=O)O)O GOA glycolic acid +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC GOB 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid +Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOC n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F GOD 6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide +CCCNC(=O)Nc1cccc(n1)C GOE 1-(6-methylpyridin-2-yl)-3-propyl-urea +COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 GOF n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide +c1cc(c(c(c1)O)C(=O)O)C(=O)O GOG 3-hydroxybenzene-1,2-dicarboxylic acid +c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4 GOH 5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole +c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O GOI 2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside +CCOC(=O)c1c[nH]nc1 GOJ ethyl 1~{h}-pyrazole-4-carboxylate +Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO GOK 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide +C(C(CO)O)O GOL glycerol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N GOM glutamol-amp +c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N GON 1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide +CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N GOO (1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol +C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O GOP glucopine +COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] GOQ 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid +C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O GOS d-glucitol-1,6-bisphosphate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC GOT phospholipid pg(16:0/cy17:0) +CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GOU 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine +C[C@@H](CNCc1ccc2c(c1)OCO2)O GOV (2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol +Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GOW 3-benzamido-4-methyl-~{n}-oxidanyl-benzamide +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O GOX (2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol +C1CCN(CC1)C(=O)N2CCCCC2 GOY di(piperidin-1-yl)methanone +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N GOZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F GP0 5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O GP1 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GP2 phosphomethylphosphonic acid guanosyl ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP3 diguanosine-5'-triphosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O GP4 2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N GP5 diguanosine-pentaphosphate +[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N GP6 1-(4-amidinophenyl)-3-(4-chlorophenyl)urea +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC GP7 (1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate +c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N GP8 1-(2-amidinophenyl)-3-(phenoxyphenyl)urea +C(C(COP(=O)([O-])[O-])O)O GP9 (2r)-2,3-dihydroxypropyl phosphate +[H]/N=C(/N)\NC[C@@H](C(=O)O)N GPA 2-amino-3-guanidino-propionic acid +Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O GPB n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N GPC 2'-fluoroguanylyl-(3'-5')-phosphocytidine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N GPD (2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl +C(CO[P@](=O)(O)OC[C@@H](CO)O)N GPE l-alpha-glycerophosphorylethanolamine +C(C(=O)O)NCP(=O)(O)O GPF n-(phosphonomethyl)glycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N GPG guanylyl-2',5'-phosphoguanosine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPH 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2 GPI (2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate +C(C(=O)O)[NH2+]CP(=O)(O)O GPJ glyphosate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F GPK 5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N GPL lysine guanosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O GPM (1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N GPN 2-aminoethylglycine-carbonylmethylene-guanine +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O GPO 4-o-phosphono-d-glycero-beta-d-manno-heptopyranose +CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C GPP geranyl diphosphate +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl GPQ 5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPR (9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene +c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GPS l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O GPT (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br GPU 5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I GPV 1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F GPW 1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N GPX guanosine 5'-diphosphate 2':3'-cyclic monophosphate +CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N GQ0 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O GQ1 4-o-sulfo-alpha-d-glucopyranose +CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N GQ3 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C GQ5 1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N GQ6 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine +c1cc(ccc1c2ccc(o2)CO)N GQ7 [5-(4-aminophenyl)furan-2-yl]methanol +C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6 GQ8 1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide +c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N GQ9 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine +CN1C=CC=C(C1=S)O GQA 1-methyl-3-oxidanyl-pyridine-2-thione +c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N GQB ~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide +Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br GQC 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium +C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O GQD (e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO GQE 3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3 GQG n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine +C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQH (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O GQJ methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GQK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O GQL (e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol +COc1ccc(c(c1)O)c2cc[nH]n2 GQM 5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol +COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO GQN 4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C GQO 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)F GQP 1-[(4-fluorophenyl)methyl]benzimidazole +CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2 GQQ ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide +c1ccc2c(c1)CC[C@@H]2N GQR (1~{s})-2,3-dihydro-1~{h}-inden-1-amine +Cc1nnc(s1)Nc2cccc(c2)F GQS n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine +CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GQT (2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O GQU (3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide +CN1C=CC=C(C1=O)O GQV 1-methyl-3-oxidanyl-pyridin-2-one +c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO GQW ~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide +COc1cc(ccc1N)N2CCOCC2 GQY 2-methoxy-4-morpholin-4-yl-aniline +c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO GQZ ~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide +CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C GR0 geranylgeranyl monophosphate +CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O GR1 6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid +CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O GR2 (3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C GR3 3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid +CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C GR4 r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR5 (2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR6 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate +COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O GR7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 GR8 (2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N GR9 3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O GRA glutaryl-coenzyme a +C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O GRB 8-bromoguanosine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N GRC 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine +CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3 GRD benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate +c1cc(c(c(c1)O)C(=O)O)O GRE 2,6-dihydroxybenzoic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O GRF 5-o-phosphono-beta-d-ribofuranosylamine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C GRG geranylgeranyl diphosphate +C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl GRH (2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide +COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O GRI 6-formyl-9-methoxyphenazine-1-carboxylic acid +COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO GRK 4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO GRL (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5 GRM n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +C[C@@](c1ccccc1)(C(=O)O)N GRN 2-phenyl-l-alanine +C[C@H](c1ccccc1)C(=O)O GRO r-2-phenyl-proprionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O GRP [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC(=CCC/C(=C/C=O)/C)C GRQ geranaldehyde +CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O GRR (2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid +CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] GRT (2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +Cc1c(n2ccccc2n1)C(=O)NCC(C)C GRV 2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide +C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O GRW (2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O GRX (1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol +Cc1cc(nc(n1)Nc2ccc(cc2)N)C GRY ~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine +c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F GRZ 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N GS guanosine-5'-thio-monophosphate +CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C GS0 bacteriochlorophyll a isomer +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O GS1 1-thio-beta-d-glucopyranose +CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC GS2 2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide +CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F GS3 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GS4 4-thio-beta-d-glucopyranose +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl GS5 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl GS6 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide +COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C GS7 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide +C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GS8 s-hydroxy-glutathione +c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O GS9 naphthalen-2-yl 1-thio-beta-d-galactopyranoside +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O GSA o4-sulfonylgalactose +c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSB s-benzyl-glutathione +CCS[C@@H](C(=O)O)N GSC 2-ethylthio glycine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O GSD 4-thio-d-glucose +C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O GSE l-alpha-glycerophosphorylserine +C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSF l-gamma-glutamyl-3-sulfino-l-alanylglycine +CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C GSG 1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GSH glutathione +CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSI 2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide +CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl GSJ 1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)- +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl GSK 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide +CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O GSL (2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid +CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GSM l-gamma-glutamyl-s-methylcysteinylglycine +C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N GSN 2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate +c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O GSO l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N GSP 5'-guanosine-diphosphate-monothiophosphate +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl GSQ 5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide +c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSR 2'-deoxy-n2-(r)styrene oxide guanosine monophosphate +c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 GSS 2'-deoxy-n2-(s)styrene oxide guanosine monophosphate +CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C GST geranyl s-thiolodiphosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N GSU o5'-(l-glutamyl-sulfamoyl)-adenosine +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl GSV 2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N GSW d-gamma-glutamyl-l-cysteinylglycine +C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl GSX 5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide +C(CO)n1c2c(nc1S)N=C(NC2=O)N GSY 7-(2-hydroxyethyl)-8-mercaptoguanine +CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 GSZ n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide +Cc1c(c(c(cn1)CO)COC)O GT0 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)COC)O GT1 [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl GT2 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide +C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O GT3 2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide +COCC(=O)Nc1ccc(cc1)O GT4 ~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN GT5 ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC GT6 (2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] +C1CCC(CC1)NC(=O)CC#N GT7 2-cyano-~{n}-cyclohexyl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3 GT8 (2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCCCCCCCCSC[C@@H](C(=O)O)N GT9 s-nonyl-cysteine +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O GTA p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate +c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTB s-(p-nitrobenzyl)glutathione +C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O GTC (1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid +C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] GTD 1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene +[OH] GTE glucose 4-o4 group +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F GTF 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O GTG 7-methyl-guanosine-5'-triphosphate-5'-guanosine +C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C GTH 3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside] +c1ccc(cc1)c2nc(sn2)N3CCNCC3 GTI 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine +CCCn1c2ccccc2nc1NC(=O)CC GTJ ~{n}-(1-propylbenzimidazol-2-yl)propanamide +[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O GTK beta-d-galactofuranuronic acid +C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O GTL (2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O GTM methyl 4-thio-beta-d-glucopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N GTN phosphoaminophosphonic acid guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N GTO phosphomethylphosphonic acid-guanylate ester +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N GTP guanosine-5'-triphosphate +c1cc(c(cc1O)C(=O)O)O GTQ 2,5-dihydroxybenzoic acid +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O GTR beta-d-galactopyranuronic acid +C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N GTS glutathione sulfonic acid +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] GTT glutathione +CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N GTU n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C GTV [(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN GTW ~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+] GTX s-hexylglutathione +CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GTY l-gamma-glutamyl-s-octyl-d-cysteinylglycine +C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O GTZ (5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] GU0 2,3,6-tri-o-sulfonato-beta-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU1 2,3-di-o-methyl-beta-d-glucopyranuronic acid +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O GU2 2,3-di-o-methyl-alpha-l-idopyranuronic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O GU3 methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O GU4 2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O GU5 2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O GU6 2,3,6-tri-o-sulfo-alpha-d-glucopyranose +c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N GU7 2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O GU8 2,3,6-tri-o-methyl-beta-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O GU9 2,3,6-tri-o-methyl-alpha-d-glucopyranose +C(CC(=O)O)CC(=O)O GUA glutaric acid +c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O GUB 9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N GUC n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O GUD glucose-uridine-c1,5'-diphosphate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N GUE 5,10-methenyltetrahydrofolate +[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O GUF 2-deoxy-2-fluoro-beta-d-glucopyranuronic acid +CC(C)NC(=O)c1ccc2ccccc2n1 GUG ~{n}-propan-2-ylquinoline-2-carboxamide +O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O GUH mo6 cluster +CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl GUI 5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine +Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4 GUJ 3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine +CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl GUK 6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine +C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O GUL (2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C GUM 4-methyl-umbelliferyl-n-acetyl-chitobiose +c1[nH]c2c(n1)C(=O)NC(=N2)N GUN guanine +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N GUO [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O GUP alpha-l-gulopyranose +COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3 GUQ 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione +C12C(NC(=O)N1)NC(=O)N2 GUR glycoluril +[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O GUS (e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine +CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O GUT ~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C GUU 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide +Cc1nccc(n1)c2cccc(c2)NC(=O)NC GUV 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea +COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C GUW ~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide +C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-] GUX (1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +CCCn1c(nnn1)NC(=O)c2ccco2 GUY ~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide +[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O GUZ 2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F GV0 golvatinib +Cc1c(sc2c1c(ncn2)N(C)C)C GV1 ~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6 GV2 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide +Cc1c(c(n(n1)C)C)NC(=O)CC#N GV4 2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide +CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C GV5 8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N GV6 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O GV7 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol +Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C GV8 8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine +CC(=O)Nc1ccsc1C(=O)O GV9 3-(acetylamino)thiophene-2-carboxylic acid +[H]/N=C(/N)\NCCCCC(=O)O GVA 5-{[amino(imino)methyl]amino}pentanoic acid +Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC GVB (3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine +Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O GVC 1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5 GVD [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile +COC(=O)CCCN GVE methyl 4-aminobutanoate +c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O GVF benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] +Cc1c(c[nH]n1)c2ccccc2 GVG 3-methyl-4-phenyl-1h-pyrazole +c1cc2cc[nH]c2nc1 GVH 1h-pyrrolo[2,3-b]pyridine +CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2 GVI n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N GVJ (s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine +c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl GVK 6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O GVL o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine +CC(C)(C)C[C@H](CC(=O)O)O GVM (3r)-3-hydroxy-5,5-dimethylhexanoic acid +c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl GVN (2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl GVO (2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine +c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl GVP 4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine +c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl GVQ (2r)-2-(4-chlorophenyl)-2-phenylethanamine +c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3 GVR (2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide +CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 GVS ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate +CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO GVT 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol +CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O GVU (2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid +CCC(=O)Nc1ccc(cc1O)C GVV ~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVW (2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N GVX l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine +c1cc(ccc1c2nnc(s2)N)O GVY 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4 GVZ (2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C GW0 {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid +Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 GW1 (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone +C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O GW2 (2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N GW3 7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5 GW4 n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide +CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3 GW5 (2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid +C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F GW6 (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate +CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F GW7 n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine +CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C GW8 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea +c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] GW9 2-chloro-5-nitro-n-phenylbenzamide +CC(=O)Nc1cccc(c1)NC(=O)COC GWA ~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide +CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3 GWB 4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one +c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2 GWD (3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O GWE n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide +c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F GWF tropifexor +Cn1c2ccccc2c(n1)C(=O)N GWG 1-methylindazole-3-carboxamide +C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C GWH 3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine +CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl GWI n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide +Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N GWJ 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide +CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3 GWK (2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N GWL 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide +Cc1ccc(cc1)OP(=O)(O)O GWM (4-methylphenyl) dihydrogen phosphate +O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O GWN mo8 cluster +c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O GWO (2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid +c1c(nc([nH]1)C2CC2)C(=O)N GWP 2-cyclopropyl-1~{h}-imidazole-4-carboxamide +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N GWQ ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine) +CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO GWR 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione +c1cc(cnc1)NC(=O)CC2CCCCC2 GWS 2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide +C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4 GWT (2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide +CC(C)NCc1ccc(cc1)N(C)C GWV ~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline +O[Mo](O)(O)(O)O GWW pentakis(oxidanyl)molybdenum +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O GWX (2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid +CN(C[C@@H]1CCOC1)c2c(cncn2)Cl GWY 5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine +CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3 GWZ (2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4 GX0 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N GX1 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine +O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O GX2 mo14o47 cluster +CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C GX3 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F GX4 cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone +CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N GX6 n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +C1CCC(CC1)NC2=CNC(=O)NC2=O GX7 5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC GX8 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid +Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F GXA 5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide +CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O GXB sialylated precision glycomacromolecule +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C GXC n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide +c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl GXD 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid +c1ccc(cc1)[SeH] GXE benzeneselenol +c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F GXG 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid +COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC GXH 3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O GXJ (2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2 GXK 6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O GXL alpha-l-galactopyranose +c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-] GXM (2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid +COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N GXN [2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate +CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C GXO [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate +C([C@@H](C=O)O)C(=O)C(=O)O GXP (4s)-4-hydroxy-2,5-dioxopentanoic acid +C1CC(CCC1NCCCN)NCCCN GXQ n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine +C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C GXR (8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one +C([C@H](C=O)O)C(=O)C(=O)O GXS (4r)-4-hydroxy-2,5-dioxopentanoic acid +C(=O)C=O GXT ethanedial +Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC GXU 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione +C([C@@H](C=O)O)O GXV l-glyceraldehyde +[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXW cu(ii)-substituted wells-dawson +COc1cc(c(cc1Br)OC)N GXY 4-bromo-2,5-dimethoxyaniline +[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] GXZ ni(ii)-substituted wells-dawson +C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O GY0 methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate +CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C GY3 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione +c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl GY4 2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid +COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O GY5 5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O GY6 2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O GY7 2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O GY8 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O GY9 2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O GYA 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3 GYB (8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O GYC [(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N GYD n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide +C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O GYE beta-d-fucofuranose +COC(=O)CCS GYF methyl 3-sulfanylpropanoate +[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O GYG (1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C GYI 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide +C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3 GYK (8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide +CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F GYL n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO)O GYM (2r)-2,3-dihydroxypropyl tetradecanoate +C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O GYN gymnodimine a +COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4 GYO ~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O GYP methyl alpha-d-glucopyranoside +c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N GYQ 2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile +Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4 GYR {(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O GYS [(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O GYT bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine +CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C GYU 2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O GYV 2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose +c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5 GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C GYX n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN GYY n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide +C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O GYZ [(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N GZ0 [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate +C1CC(=CC(=O)C1)Nc2[nH]nnn2 GZ2 3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one +C/C(=C\P(=O)(O)O)/C(=O)O GZ3 (e)-2-methyl-3-phosphonoacrylate +Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4 GZ4 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N GZ5 (2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide +C(=[NH2+])(N)N GZ6 guanidinium +Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O GZ7 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium +C1=CC(=S)C=C(C1C(=O)O)C(=O)O GZ8 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid +Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C GZ9 (2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3 GZA 2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one +c1ccc(cc1)C(=O)NCC(=O)O GZB 2-benzamidoethanoic acid +[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N GZC n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine +C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2 GZD n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N GZE [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N GZF [(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4 GZG 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid +c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N GZH 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC[C@@H](C(=O)O)NC(=O)C GZJ (2s)-2-(acetylamino)butanoic acid +c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl GZK 1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one +C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O GZL beta-d-galactofuranose +CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl GZM 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl GZN 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC GZO methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate +c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O GZP 1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol +CC(=O)N(C)c1ccc(cc1Cl)Cl GZQ ~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide +Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F GZR 1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one +CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F GZT 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide +Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F GZV (2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl GZW 2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide +Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C GZX (1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)OC GZY 1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one +[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N GZZ n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine +[H+] H etnam h hydrogen atom +C(CC(=O)O)CS H00 4-sulfanylbutanoic acid +Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O H01 protoporphyrin ix 2,4-disulfonic acid +CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C H02 n-methyl protoporphyrin ix 2,4-disulfonic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C H03 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide +CCOc1ccccc1N2CCNCC2 H04 1-(2-ethoxyphenyl)piperazine +CCCc1nc2ccccc2c3n1nc(n3)N H05 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine +[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N H06 (e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide +CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl H07 (2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl H08 2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC H0A 1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl H0B 6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O H0C [(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate +CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl H0D n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea +CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C H0E (10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol +Cc1cccc(c1)CC(=O)Nc2ccon2 H0G 2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4 H0H ~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O H0I 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid +c1ccnc(c1)c2ccc(s2)C(=S)N H0J 5-(pyridin-2-yl)thiophene-2-carbothioamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO H0K 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol +COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F H0L (2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +c1ccnc(c1)NC(=O)Cc2cccc(c2)O H0M 2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide +c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl H0N 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(cc(c1)O)CC(=O)Nc2cccnc2 H0P 2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide +Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl H0Q 2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F H0R (2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 H0S n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5 H0T [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone +Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N H0U ~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide +c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N H0V 5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8 H0W 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N H0X [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O H0Y 6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid +CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 H0Z bicuculline methochloride +C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O H10 1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea +CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C H11 (5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one +CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H12 6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one +CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO H13 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide +c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O H14 (2s,3r)-beta-hydroxy-phenylalanine +CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO H15 n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3 H16 6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one +C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H17 2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3 H18 6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one +c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+] H19 huprine 19 +CCC(CC)C(=O)Nc1ccccc1O H1A 2-ethyl-n-(2-hydroxyphenyl)butanamide +CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F H1B n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide +CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC H1C methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate +C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N H1D (2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3 H1F 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide +COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3 H1G 2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide +C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C H1H 5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid +C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5 H1I n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide +c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F H1J n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide +COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC H1K 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl H1L (2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO H1M methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside +CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5 H1N n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide +Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC H1O 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole +c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O H1P 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one +c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N H1Q adenosine divanadate +COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F H1R (2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-] H1S heparin disaccharide i-s +O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O] H1T [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium +c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4 H1U n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C H1V n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} +O[V](O)(O)(O)O H1W pentakis(oxidanyl)vanadium +Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C H1X 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H1Y n-(3-chlorophenyl)-2-phenylacetamide +CCCCOc1ccc(cc1)S(=O)(=O)N H1Z 4-butoxybenzenesulfonamide +CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 H20 6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl H21 5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl H22 5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide +CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O H23 (1-hydroxydodecane-1,1-diyl)bis(phosphonic acid) +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC H24 (6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl H25 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide +c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O H26 {2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid +CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3 H27 (2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid +c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6 H28 (3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione +c1cc(ncc1N)N2CCc3c(ccs3)C2 H29 6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine +CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] H2A (6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate +C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O H2B 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one +c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F H2C 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one +CC[C@H](c1ccccc1)C(=O)Nc2ccon2 H2D (2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide +C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6 H2E 2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one +Cc1ccc(s1)CNC[C@H](C)O H2G (2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C H2H (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl H2J n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide +c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3 H2K 1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea +c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4 H2L 1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea +c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O H2M 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one +C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C H2N (2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O H2P 1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C H2Q (2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4 H2R n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide +S H2S hydrosulfuric acid +C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O H2U 5,6-dihydrouridine-5'-monophosphate +CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O H2V s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate +c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl H2W 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one +C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC H2X 4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol +COc1ccc(cc1)CC(=O)Nc2cccnc2 H2Y 2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide +C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C H2Z (2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide +CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N H30 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine +Cc1ccc(cc1)c2ccccc2N3CCCC3=O H31 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O H32 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid +CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C H33 8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO H34 (1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol +c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 H35 n-(furan-2-ylmethyl)-7h-purin-6-amine +[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H36 n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N H37 d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide +[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 H38 n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3 H39 5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid +COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl H3A n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide +C[Si](C)(C)CCCS(=O)(=O)O H3B 3-trimethylsilylpropane-1-sulfonic acid +C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N H3C n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide +CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3 H3D n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5 H3E 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine +Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC H3F tafenoquine +CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 H3G (4-tert-butylpiperidin-1-yl)(phenyl)methanone +CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C H3H 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine +CC1=C(C(=O)C=C1)Oc2cccnc2 H3J 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one +c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O H3K 1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea +C[C@@H](c1ncnn1C)N H3L (1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine +CC1=C[C@@H](OC1=O)O H3M (5r)-5-hydroxy-3-methylfuran-2(5h)-one +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5 H3N 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine +c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl H3P 2,2'-methanediylbis(3,4,6-trichlorophenol) +Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5 H3Q 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine +Cc1cc([nH]n1)c2ccccc2 H3R 5-methyl-3-phenyl-1h-pyrazole +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-] H3S heparin disaccharide iii-s +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC H3T phospholipid pg(16:0/cy17:0) +Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O H3U 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid +c1ccc(cc1)CC(=O)Nc2ccon2 H3V n-(1,2-oxazol-3-yl)-2-phenylacetamide +CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O H3W bisphenol-b +C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C H3X methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate +c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O H3Y (3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +CC(C)c1ccc(cc1)O H3Z 4-propan-2-ylphenol +CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO H41 n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1cc2c(cc1O)CCCC2 H42 5,6,7,8-tetrahydronaphthalen-2-ol +C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O H43 2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid +[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4 H44 n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4 H45 n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide +CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5 H46 ~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide +COc1cccc(c1)CC(=O)Nc2ccon2 H47 2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide +CC(c1ccc(cc1)O)c2ccc(cc2)O H48 4-[1-(4-hydroxyphenyl)ethyl]phenol +c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3 H49 (s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide +c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O H4A (3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O H4B 5,6,7,8-tetrahydrobiopterin +CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C H4C 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O H4D 3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid +CCOC(=O)c1ccc(c(c1)Br)N H4E ethyl 4-azanyl-3-bromanyl-benzoate +c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F H4G 2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide +c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N H4H (1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide +c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N H4K 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea +C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O H4L 3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol +C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C H4M 5,10-dimethylene tetrahydromethanopterin +c1cc2c(cc[nH]2)cc1Br H4N 5-bromanyl-1~{h}-indole +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O H4O 5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O H4P 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol +CC[C@@H](C)c1ccc(cc1)O H4Q 4-[(2~{r})-butan-2-yl]phenol +C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O H4R 4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O H4S n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide +c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl H4T 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone +CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3 H4U 6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine +COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I H4V methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F H4W 6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C H4X (6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene +COc1ccc(cc1)c2ccccc2N3CCCC3=O H4Y 1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one +CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O H4Z 5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol +c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl H50 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid +Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C H52 (s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine +c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O H53 (1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol +Cc1cccc(c1)CC(=O)Nc2cccnc2 H54 2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide +[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N H55 3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide +c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O H56 (3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one +CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H57 (3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene +CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O H58 (3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene +CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O H59 n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +COc1cc(cc(c1OC)OC)C(=O)O H5A 3,4,5-trimethoxybenzoic acid +c1ccc2c(c1)c(cc(c2O)C(=O)O)Br H5B 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid +CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O H5C 9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione +CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl H5D 2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide +CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O H5E 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N H5F 6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one +c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl H5G n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O H5H (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc2c(cc1N(=O)=O)cno2 H5J 5-nitro-1,2-benzoxazole +c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O H5K 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O H5L s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate +C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O H5M trans-3-hydroxy-5-methylproline +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O H5N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F H5O (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O H5P hydantocidin-5'-phosphate +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O H5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H5R 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C H5S (5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O H5T (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O H5U n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide +C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O H5V 7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F H5W 6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O H5Y 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O H5Z (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H60 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O H61 2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid +C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N H62 (1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid +CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H63 (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4 H64 8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine +Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C H65 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine +CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1 H66 2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide +C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5 H67 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC H68 tetrahydrocolumbamine +c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl H69 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5 H6A 2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid +CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O H6B (1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid +C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N H6D 4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile +C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3 H6E 2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2 H6F ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide +C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6G n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine +CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N H6H ~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide +C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O H6J n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N H6K 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] H6L ~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide +c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O H6M n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine +c1cc(c(cc1C=O)O)O H6N protocatechuic aldehyde +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O H6O (2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol +C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO H6P (2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O H6Q 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose +C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2 H6R (2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide +CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6S 2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O H6T 2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O H6U 2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide +c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H6V 2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4 H6W ~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC H6X 5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine +c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N H6Y 8-oxo-adenosine-5'-triphosphate +C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O H6Z 2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl H70 2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol +CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 H71 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine +c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N H72 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C H73 5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine +C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H74 2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(ccc1N2C=C3CCCCN3C2=O)Br H75 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one +C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O H76 (2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol +CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 H77 2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O H78 [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid +C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O H79 [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron +Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O H7A 4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC H7B 2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone +COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4 H7C 2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine +C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2 H7D (1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC H7E [1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4 H7F [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol +c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O H7G (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid +C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2 H7J n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide +COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O H7K methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4 H7L [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol +Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl H7M 3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide +CCCCCC[P@@](=O)(O)OCCCC H7N butoxy(hexyl)phosphinic acid +COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5 H7O 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl H7P (2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide +c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N H7Q 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine +COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 H7R 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline +c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O H7S (3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione +CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C H7T 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone +CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 H7U 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine +CN[C@@H](CC1CCCCC1)C(=O)O H7V 3-cyclohexyl-n-methyl-l-alanine +C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7W (1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4 H7X 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid +C/C=C/c1ccc(c(c1)OC)O H7Y isoeugenol +C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N H7Z (1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4 H80 [2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F H82 3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN H83 ~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N H84 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F H86 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium +Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C H88 ~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide +c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H89 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N H8A 3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile +CNCc1ccccc1OCc2ccc3ccc(nc3c2)N H8B 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5 H8C 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8D (8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide +CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3 H8E benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate +CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C H8F 2-(aminomethyl)-3,5-ditert-butyl-phenol +CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C H8G n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea +CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl H8H n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine +CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C H8J (8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide +c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5 H8K trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol +Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC H8L o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate +Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC H8M (1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +c1cc(ccc1C#N)O H8N 4-hydroxybenzonitrile +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O H8O (s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol +CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C H8Q ~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide +CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O H8R (2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3 H8S n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C H8T (10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone +C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O H8U paraherquamide a +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4 H8V (2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide +CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O H8W 3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid +CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O H8X n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide +C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N H8Z 1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one +c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O H90 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl H91 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one +c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N H92 4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide +CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N H93 2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one +c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F H94 6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile +C[C@H](CC[C@H](C)O)O H95 (2~{s},5~{r})-hexane-2,5-diol +COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4 H96 [2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol +C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O H97 (1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O H98 ~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide +COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4 H99 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine +CCP(=O)(O)OC(C)C H9A propan-2-yl hydrogen (r)-ethylphosphonate +CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N H9B (2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide +c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8 H9C bis(1,10-phenanthroline)platinum(ii) +[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O H9E [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO H9F 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol +C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5 H9G (3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N H9H 1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide +CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O H9I 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O H9J 2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide +c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O H9K 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3 H9M (2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide +B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O H9O 2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4 H9P n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O H9R 2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one +CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4 H9S (2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide +C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O H9T (1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C H9U (2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid +c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF H9V (2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F H9Y 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C H9Z 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide +CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O HA0 heteroarylalanine 5-phenyl oxazole +c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N HA1 9-(5,5-difluoro-5-phosphonopentyl)guanine +c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N HA2 6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid) +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO HA3 n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide +C1c2c(onc2O)CN[C@H]1C(=O)O HA5 (5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid +c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3 HA6 2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one +C1CN[C@@H](c2c1c(no2)O)C(=O)O HA7 (7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid +C=CC\C=N\c1c2c(nc[nH]2)ncn1 HA8 n6-(buta-2,3-dienyl)adenine +c1cc(c(cc1CC(=O)O)O)O HAA 2-(3,4-dihydroxyphenyl)acetic acid +c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O HAB 2-((4'-hydroxyphenyl)-azo)benzoic acid +C1CCC(CC1)C[C@@H](C(=O)O)N HAC beta-cyclohexyl-alanine +C(C(=O)O)N(C(=O)O)O HAD (carboxyhydroxyamino)ethanoic acid +CC(=O)NO HAE acetohydroxamic acid +CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4 HAF tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N HAG 4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol +c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O HAH (1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +C1CCC(CC1)[NH3+] HAI cyclohexylammonium ion +c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N HAJ 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6 HAK 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide +c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O HAL n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine +c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+] HAM histidyl-adenosine monophosphate +Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O HAN 2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid +COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O HAO {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC HAP (n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine +c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O HAQ 5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid +C(C[C@@H](C(=O)O)N)CNC(=N)NO HAR n-omega-hydroxy-l-arginine +Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C HAS heme-as +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C HAT 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C HAU 1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide +CC(C)[C@H](C(=O)NO)N HAV hydroxyaminovaline +Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6 HAW 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O HAX n-hydroxyamidocarboxymethyldethia coenzyme *a +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HAY (2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-] HAZ 4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid +C1CC(CCC1CO)O HB0 trans-4-(hydroxymethyl)cyclohexanol +c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O HB1 ruthenium-pyridocarbazole-1 +CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N HB2 1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol +c1nc([nH]n1)SCCN HB3 2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine +c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N HB4 n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide +[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N HB5 (2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide +CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3 HB7 n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide +[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O HB8 [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO HB9 ~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide +c1cc(ccc1C=O)O HBA p-hydroxybenzaldehyde +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3 HBB n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide +c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N HBC (2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone +c1cc(ccc1C(=O)N)O HBD 4-hydroxybenzamide +C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O HBE (2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2 HBF ferrocene homobiotin derivative +Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C HBG n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3 HBH 2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBI 7,8-dihydrobiopterin +Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C HBJ 4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide +COc1ccc2c(c1)O[C@@H](C(=O)N2O)O HBK (2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one +C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O HBL 7,8-dihydro-l-biopterin +CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O HBM 2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide +c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N HBN n-(2-naphthyl)histidinamide +COc1ccc2c(c1)O[C@H](C(=O)N2O)O HBO 2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one +c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O HBP 1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime +CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F HBQ isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate +C[C@H](C(=O)C)O HBR r,3-hydroxybutan-2-one +C[C@@H](C(=O)C)O HBS s,3-hydroxybutan-2-one +C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1 HBT (6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[P@](=O)(CC(=O)CC(=O)O)O HBU 4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid +CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3 HBV 3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide +CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl HBW (2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide +c1ccc(cc1)C=O HBX benzaldehyde +CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC HBY (s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O HBZ n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O HC0 2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster +C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2] HC1 2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster +CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HC2 20-hydroxycholesterol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C HC3 25-hydroxycholesterol +c1cc(ccc1\C=C\C(=O)O)O HC4 4'-hydroxycinnamic acid +CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C HC5 (r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C HC6 (2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) +C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C HC7 (2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium +CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC HC8 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one +C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O HC9 (3alpha,8alpha,22r)-cholest-5-ene-3,22-diol +C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O HCA 3-hydroxy-3-carboxy-adipic acid +CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO HCB 5-hydroxybenzimidazolylcobamide +c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O HCC 2',4,4'-trihydroxychalcone +CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O HCD (3alpha,8alpha)-cholest-5-ene-3,20-diol +c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N HCE {(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O HCG delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine +[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O HCH (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide +c1ccc(cc1)CCC(=O)O HCI hydrocinnamic acid +c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3 HCJ (2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one +COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O HCK 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid +c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O HCL (2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid +CSSCC[C@@H](C(=O)O)N HCM (2s)-2-amino-4-(methyldisulfanyl)butanoic acid +C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N HCN 2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O HCO 2-acetyl-protoporphyrin ix +Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O HCP 1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid +[B-](c1cc2cc(ccc2s1)CN)(O)(O)O HCQ [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C HCR 7-hydroxycholesterol +C(CS)[C@@H](C(=O)O)N HCS 2-amino-4-mercapto-butyric acid +C(CC(=O)O)[C@H](CC(=O)O)C(=O)O HCT (2r)-butane-1,2,4-tricarboxylic acid +c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N HCU [(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate +CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N HCV n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine +C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C HCW 1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea +C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O HCX (south) bicyclo[3.1.0]hexane +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O HCY (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 HCZ 6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HD1 6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide +c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O HD2 4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD3 2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O HD4 4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol +B(c1cc2cc(ccc2s1)CN)(O)O HD5 [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid +CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HD6 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HD9 (2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol +C(C(=O)O)N(C=O)O HDA hadacidin +[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO HDB (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine +CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O HDC 3r-hydroxydecanoyl-coenzyme a +Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O HDD cis-heme d hydroxychlorin gamma-spirolactone +CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C HDE cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s +c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O HDF 8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine +COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N HDG (2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) +c1cc(ccc1C(=O)NN)O HDH 4-oxidanylbenzohydrazide +COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O HDI 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester +Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F HDJ (2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile +[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O HDL d-arabinohydroxamic acid +Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC HDM dimethyl propionate ester heme +CN=N HDN methylhydrazine +CCCCCCCCC(=O)CCCO HDO 1-hydroxydodecan-4-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O HDP [(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O HDQ 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +CCCCCCCCCCCCCCCC[S@](=O)O HDR hexadecane-1-sulfinic acid +CCCCCCCCCCCCCCCCS(=O)(=O)O HDS 1-hexadecanosulfonic acid +c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N HDT 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide +Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C HDU n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide +Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N HDV 9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine +C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O HDW (2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid +C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O HDX ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid +Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O HDY 1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +N#N HDZ nitrogen molecule +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C HE0 (2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O HE1 4-(2-hydroxyphenylthio)-1-butenylphosphonic acid +CCCCCCO HE2 hexan-1-ol +Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O HE3 2-hydroxyethyl dihydrothiachrome diphosphate +CCCCCCCO HE4 heptan-1-ol +Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C HE5 zinc(ii)-deuteroporphyrin dimethylester +Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C HE6 6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O HE7 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid +[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O HE8 3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide +COC(=O)c1ccc(c(c1)O)O HE9 methyl 3,4-bis(oxidanyl)benzoate +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C HEA heme-a +CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C HEB heme b/c +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HEC heme c +C(CSSCCO)O HED 2-hydroxyethyl disulfide +CCCCCC[P@](=O)(O)OCC HEE n-hexylphosphonate ethyl ester +CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2 HEF 1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C HEG protoporphyrin ix containing mg +Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O HEH hedamycin +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O HEI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N HEJ 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine +CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O HEK 3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C HEL (2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O HEM protoporphyrin ix containing fe +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O HEN 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O HEO heme o +CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1 HEP phenyl[1-(n-succinylamino)pentyl]phosphonate +CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C HEQ 3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone +COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O HER 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one +CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C HES zinc substituted heme c +CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O HET 3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O HEU 3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate +CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O HEV 5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex +c1cnc(cc1Br)N HEW 4-bromanylpyridin-2-amine +CCCCCC HEX hexane +Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O HEY (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid +C(CCCO)CCO HEZ hexane-1,6-diol +COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O HF0 (2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one +c1cc(c(cc1F)SCCC=CP(=O)(O)O)O HF1 4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid +c1ccc(cc1)C[C@H](C(=O)O)O HF2 (2r)-2-hydroxy-3-phenylpropanoic acid +O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O HF3 smallest hf-oxo-phosphate cluster hf3 +C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O HF4 4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one +O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O HF5 hf oxo cluster hf5 +COC(=O)/C=C/c1ccc(cc1)O HF6 methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate +Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N HF7 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O HF8 [(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate +COC(=O)c1ccc(cc1O)O HF9 methyl 2,4-bis(oxidanyl)benzoate +c1ccc(cc1)C[C@@H](C(=O)O)O HFA alpha-hydroxy-beta-phenyl-propionic acid +c1(c(c(c(c(c1F)F)F)F)F)F HFB hexafluorobenzene +c1c2c(cc(c1O)O)OC(=O)C=C2 HFC 6,7-bis(oxidanyl)chromen-2-one +c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N HFD 2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine +c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O HFG 7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C HFH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O HFK 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one +COc1cc(cc(c1O)O)\C=C\C(O)O HFL 5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O HFM 2-formyl-protoporphryn ix +Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 HFN 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one +CC(=O)c1ccc(c(c1)O)O HFO 1-[3,4-bis(oxidanyl)phenyl]ethanone +CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O HFP alpha-hydroxyfarnesylphosphonic acid +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O HFQ 2,4-dihydroxyphenacyl coenzyme a +c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HFR [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate +c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3 HFS 1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine +CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O HFT hydroxyflutamide +Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6 HFU 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O HFV delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline + HFW dawson-type polyoxometalate +CS(=O)c1c2c(c(s1)Cl)CCCC2=O HFX 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one +c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl HFY 8-{[(2-chlorophenyl)methyl]amino}adenosine +c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F HFZ 6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +[Hg+2] HG mercury (ii) ion +CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N HG0 n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide +C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O HG1 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol +Br[Hg]Br HG2 dibromomercury +C([C@H](C(O)O)O)OP(=O)(O)O HG3 [(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N HG4 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide} +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG5 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one +c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O HG6 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid +CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N HG7 (2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C HG8 (7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one +CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O HG9 1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol +C(CC(=O)NO)[C@@H](C(=O)O)N HGA glutamine hydroxamate +c1cc(ccc1C(=O)O)[Hg]O HGB 4-(hydroxymercury)benzoic acid +C[Hg+] HGC methyl mercury ion +C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N HGD mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine) +CCOC(=O)C1CCN(CC1)c2cnccn2 HGE ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate +COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2 HGF 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O HGG (3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide +c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O HGH 2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid +I[Hg]I HGI mercury (ii) iodide +CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N HGJ 2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide +c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2 HGK 2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid +c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N HGL (2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid +CN[C@H](c1ccc(cc1)O)C(=O)O HGM (2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid +[Hg][Hg] HGN mercuriomercury +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC HGP (1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline +C1=CNC(=O)C=C1Br HGQ 4-bromanyl-1~{h}-pyridin-2-one +C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O HGR hygromycin a +C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N HGS d-gamma-glutamyl-l-cysteinyl-beta-alanine +C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N HGT (2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol +C(=N)(N)NO HGU n-hydroxyguanidine +C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O HGV 2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine +c1c(cncn1)I HGW 5-iodanylpyrimidine +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C HGX 1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline +[C@H](C(=O)O)(N)O HGY (2s)-amino(hydroxy)ethanoic acid +CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC HGZ 6,7,8-trimethoxy-4-methylquinolin-2(1h)-one +C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O HH0 methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 HH1 (3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate +c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O HH2 6-hydroxymethylpterin-diphosphate +c1ccc(cc1)C(=O)N[C@H](C(=O)O)O HH3 (2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid +CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O HH4 4-(4-tert-butylphenyl)-4-oxobutanoic acid +c1[nH]c2c(n1)nc(nc2I)N HH5 6-iodanyl-7~{h}-purin-2-amine +c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O HH6 3-(4-hydroxyphenyl)-1h-indazol-6-ol +c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2 HH7 n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine +c1cc2c(ccnc2nc1)Br HH8 4-bromanyl-1,8-naphthyridine +c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O HH9 4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid +C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O HHA (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid +c1cc(cc(c1)Nc2ccncn2)CC(=O)O HHB 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid +c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O HHC ~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide +C(C[C@@H](CC(=O)O)O)CC(=O)O HHD (3s)-3-hydroxyheptanedioic acid +CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O HHE (2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide +c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O HHF 3,7-dihydroxy-2-phenyl-4h-chromen-4-one +CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O HHG (2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate +c1cc(ccc1[C@@H](C(=O)O)O)O HHH (2s)-hydroxy(4-hydroxyphenyl)ethanoic acid +[H]/N=C(/Cc1cnc[nH]1)\C(=O)O HHI (2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid +c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O HHJ 5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine +C(CCCN)CC[C@@H](C(=O)O)N HHK (2s)-2,8-diaminooctanoic acid +Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F HHL n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide +c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3 HHM n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide +c1c(cncn1)Br HHN 5-bromanylpyrimidine +C(CCCCO)CCCNCO HHO 1-(hydroxymethyleneamino)-8-hydroxy-octane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO HHP 6-hydroxymethyl-7,8-dihydropterin +C1C(=CC=NC1=O)I HHQ 4-iodanyl-3~{h}-pyridin-2-one +c1c(nc2c(n1)N=C(NC2=O)N)CO HHR 6-hydroxymethylpterin +c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O HHS 6-carboxypterin +COc1cc(ccc1CC(=O)O)Br HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid +c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N HHV 5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide +c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O HHW (~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid +c1ccc(cc1)c2nnc(o2)CCC(=O)O HHY 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid +c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO HHZ [[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl HI0 (r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC HI1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F HI3 n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide +CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O HI4 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid +CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC HI5 2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate +c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N HI6 4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO HI9 (2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol +c1c([nH]cn1)C[C@@H](C(=O)N)N HIA l-histidine amide +Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O HIB 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N HIC 4-methyl-histidine +c1cc2c(cc1O)c(c[nH]2)CC(=O)O HID (5-hydroxy-1h-indol-3-yl)acetic acid +CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C HIE 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide +CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C HIF fe(iii)-(4-mesoporphyrinone) +CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C HIG 2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine +C[C@@H](Cc1csc(n1)N)C=O HII 2-methyl-3-(2-aminothiazolo)propanal +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO HIK 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C HIN (2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone +CC(C)N(C(=O)C(=O)O)O HIO n-hydroxy-n-isopropyloxamic acid +c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N HIP nd1-phosphonohistidine +c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N HIQ 1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS histidine +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2 l-histidine c-terminal deprotonated fragment +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H l-histidine c-terminal protonated fragment +c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHD1 l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-] HIS_LEO2H_DHE2 l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2 +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHD1 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-] HIS_LEO2_DHE2 l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N HIS_LFOH l-histidine free neutral +c1c(nc[nH]1)C[C@@H](C(=O)O)N HIS_LFOH_DHD1 l-histidine-free neutral/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N HIS_LFOH_DHE2 l-histidine-free neutral/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW l-histidine free zwitterion +c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHD1 l-histidine-free zwitterion/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+] HIS_LFZW_DHE2 l-histidine-free zwitterion/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL l-histidine - linking embedded fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHD1 l-histidine-linking embedded fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-] HIS_LL_DHE2 l-histidine-linking embedded fragment/with side chain deprotonated ne2 +c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3 l-histidine n-terminal protonated fragment +c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHD1 l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1 +c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+] HIS_LSN3_DHE2 l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2 +CC(C)C(C(=O)[C@H](C)C(=O)O)O HIT 2-(alpha-hydroxyisovaleryl) propionic acid +C[C@H](CO)C(=O)O HIU (2r)-3-hydroxy-2-methylpropanoic acid +[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O HIW (2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid +c1c([nH]nn1)C[C@@H](C(=O)O)N HIX 3-(1h-1,2,3-triazol-5-yl)-l-alanine +c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N HIZ 1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea +Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C HJ0 4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide +c1cc(c(cc1CCNC(=O)CCN)O)O HJ1 n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide +CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O HJ2 (2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C HJ3 (2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C HJ4 (8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name) +C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+] HJ5 [(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium +C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O HJ7 (2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid +CCn1c(c(nn1)O)C[C@@H](C(=O)O)N HJ8 (2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O HJ9 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid +C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S HJA (2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid +[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O HJB 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid +c1c([nH]cn1)CCNC(=O)CCN HJD n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide +CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C HJF 5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine +CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O HJG 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol +Cn1nc(c(n1)O)C[C@@H](C(=O)O)N HJH (2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O HJI (2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C HJJ 4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O HJK 2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N HJL [(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC HJM (5beta)-12-methoxyibogamine +Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O HJN [(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N HJO n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide +CC1=CC(=O)C(=C(O1)C(=O)O)O HJP 3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C HJQ (2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine +C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O HJR n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C(CS(=O)(=O)O)[C@@H](C(=O)O)N HJT (2~{s})-2-azanyl-4-sulfo-butanoic acid +CN[C@H](CCC(=O)N)C(=O)O HJV n~2~-methyl-d-glutamine +CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 HJW ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate +CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O HJX 2-hydroxy-6-(tetradecyloxy)benzoic acid +CN[C@H](Cc1ccc(cc1)I)C(=O)O HJY 4-iodo-n-methyl-d-phenylalanine +CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4 HJZ 3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid +COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O HK0 3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2 HK1 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol +c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O HK2 (1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate +COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O HK3 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol +COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC HK4 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol +COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N HK5 4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl HK6 8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N HK7 2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide +c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl HK8 (3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid +COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O HK9 2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid +COc1cc(ccc1Oc2ccccc2)C(=O)O HKA 3-methoxy-4-phenoxybenzoic acid +CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O HKB ~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide +COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2 HKC 6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole +CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O HKD 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid +C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2 HKE propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate +Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5 HKG 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one +CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4 HKH ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide +CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 HKI n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5 HKJ n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine +CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2 HKK ~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide +CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C HKL fe(iii) pyropheophorbide-a methyl ester +Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N HKM 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile +Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4 HKN ~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide +CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O HKO n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide +CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl HKP (7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one +c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3 HKQ ~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide +CCCn1ccnc1C(=O)O HKR 1-propylimidazole-2-carboxylic acid +c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N HKS 3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine +CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F HKT 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine +CC(C)n1ccnc1C(=O)O HKU 1-propan-2-ylimidazole-2-carboxylic acid +C(CC(=O)O)C(=O)C=O HKV 4,5-dioxopentanoic acid +CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C HKW 6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3 HKX n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide +c1cc2c(cc1C(=O)O)CCNC2 HKY 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid +Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4 HKZ 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole +CCCCCCCCCC(=O)N[C@H]1CCOC1=O HL0 n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide +COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N HL1 (2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine +CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid +CC[C@@H](C)n1ccnc1C(=O)O HL3 1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid +CCCC(=O)N[C@H]1CCOC1=O HL4 n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C[C@H](C[C@@H](C(=O)O)N)CO HL5 (2s,4r)-5-hydroxyleucine +CCCCCC(=O)N[C@H]1CCOC1=O HL6 n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide +CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7 HL7 (1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate +Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F HL8 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid +c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 HL9 5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide +C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O HLA 1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol +CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C HLB 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide +c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl HLC 4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide +C1=C(OC(=CC1=O)C(=O)O)C(=O)O HLD 4-oxo-4h-pyran-2,6-dicarboxylic acid +CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O HLE 3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide +C=CCCn1ccnc1C(=O)O HLF 1-but-3-enylimidazole-2-carboxylic acid +CC(=O)NCCCNCCCCN HLG n-{3-[(4-aminobutyl)amino]propyl}acetamide +CCCCCCCC1=CC(=O)c2ccccc2N1 HLH 2-heptyl-1~{h}-quinolin-4-one +CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1 HLI (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C HLJ n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide +c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F HLK ~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1cn(c(n1)C(=O)O)CCn2ccnn2 HLL 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid +C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3 HLM n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide +CCCCCCP(=O)(O)Oc1ccc2ccccc2c1 HLN hexyl(naphthalen-2-yloxy)phosphinic acid +c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O HLO 1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium +c1cc(oc1Cn2ccnc2)C(=O)O HLP 5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid +c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F HLQ ~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine +c1ccc2c(c1)c(no2)N HLR 1,2-benzoxazol-3-amine +COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F HLS 3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide +[C@@H](C(F)(F)F)(Cl)Br HLT 2-bromo-2-chloro-1,1,1-trifluoroethane +CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU beta-hydroxyleucine +c1ccc2c(c1)c3cc(ccc3o2)OCCN HLV 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine +c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3 HLW 3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine +CC(C)CC[C@@H](C(=O)O)N HLX 5-methyl-l-norleucine +C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O HLY (3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +c1ccc2c(c1)cnnc2NN HLZ 1-hydrazinophthalazine +c1cn(c(n1)C(=O)O)C2CCC2 HM0 1-cyclobutylimidazole-2-carboxylic acid +Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl HM2 5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine +c1cnc(cc1Cl)CO HM3 (4-chloropyridin-2-yl)methanol +CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2 HM4 tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate +CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2 HM5 3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide +c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO HM6 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O HM7 3-methylthioethane-pyrazinedione +C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O HM8 2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid +C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N HM9 6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid +C[C@@H](C(=O)NO)N HMA hydroxyaminoalanine +COC(CCC(=O)O)O HMB (4s)-4-hydroxy-4-methoxybutanoic acid +C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO HMC 5-hydroxymethyl-chonduritol +C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br HMD 4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HME porphycene containing fe +c1ccc(cc1)CC[C@H](C(=O)O)N HMF 2-amino-4-phenyl-butyric acid +C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HMG 3-hydroxy-3-methylglutaryl-coenzyme a +Cc1ncc(c(n1)N)CO HMH 4-amino-5-hydroxymethyl-2-methylpyrimidine +CC(C)C[C@H](C(=O)NO)C(=O)O HMI 2-hydroxycarbamoyl-4-methyl-pentanoic acid +CN(C)CCOc1ccc2c(c1)c3ccccc3o2 HMJ 2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine +c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O HMK (6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol +c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F HML 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid +CN1C(=O)N2CC=C[C@H](N2C1=O)CO HMM 5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O HMN 2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid +COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O HMO 4'-hydroxy-7-methoxyisoflavone +CC(C)C[C@H](C(=O)NO)C(=O)O HMP 1-hydroxyamine-2-isobutylmalonic acid +C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO HMQ 2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid +C(C[C@@H](CC(=O)O)N)CNC(=N)N HMR beta-homoarginine +C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O HMS 5-o-phosphono-l-ribulose +CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O HMT (3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine +C1=C(C(=O)NC(=O)N1)CO HMU 5-hydroxymethyl uracil +CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2 HMV 2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HMW 3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl HMX 3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide +C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O HMY (1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione +COc1ccc(c(c1)O)C(=O)CCC(=O)O HMZ 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid +CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 HN0 2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) +CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O HN1 (6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one +c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN2 1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN3 1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN4 1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN5 (1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN6 (1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol +CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O HN7 1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone +CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5 HN8 haemanthamine +c1cc(ccc1Cn2ccnc2C(=O)O)O HN9 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O HNA 1,8-di-hydroxy-4-nitro-anthraquinone +CCCCC[C@@H]1CC[C@H](O1)O HNB (2s,5r)-5-pentyltetrahydrofuran-2-ol +CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O HNC s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine +CCCCC[C@@H](CCCO)O HND (4s)-nonane-1,4-diol +CCCCC[C@H](C=CC=O)O HNE (2e,4r)-4-hydroxynon-2-enal +c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O HNF 7-nitro-9h-fluoren-2-ol +c1c(c2c([nH]1)NC(=NC2=O)N)CN HNG 2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +CN1CCC=C1c2ccc(nc2)O HNH 5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O HNI protoporphyrin ix containing ni(ii) +c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 HNJ 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione +C[N@]1CCC[C@@H]1c2ccc(nc2)O HNK 5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol +C[N@@]1CCC[C@H]1c2ccc(nc2)O HNL 5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol +CNCCCC(=O)c1ccc(nc1)O HNM 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one +CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C HNN porphycene containing mn +CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl HNO n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine +C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O HNP hydantocidin-5'-monophosphate +c1cc2c(ccc(c2nc1)O)[N+](=O)[O-] HNQ 5-nitroquinolin-8-ol +CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N HNR n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide +Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNS 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO HNT [(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol +COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNV 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside +c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HNW 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside +c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HNX (2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O HNY 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HNZ 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +[Ho] HO holmium atom +c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N HO0 (2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HO1 3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid +CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O HO2 (9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid +[Ho+3] HO3 holmium (iii) atom +C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HO4 5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO5 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1ccc(cc1)Sc2c(nns2)C(=O)O HO6 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid +c1cc(ccc1[C@H]2CN3CCSC3=N2)Br HO7 (6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole +Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HO8 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4 HO9 (2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid +NO HOA hydroxyamine +CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C HOB (3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate +CCCCCC[C@@H](C(=O)O)O HOC (2s)-2-hydroxyoctanoic acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HOE 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC HOF methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate +c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O HOG 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid +O HOH water +CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC HOJ (5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOK 3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C HOL alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate +CC1=C(C(=O)Oc2c1ccc(c2)O)CCO HOM 7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin +C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N HOO (2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid +c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O HOP (1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C HOQ (1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N HOR 4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile +CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C HOS phomopsin a +Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F HOT 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide +Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4 HOU 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4 HOV ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +c1conc1N HOW 1,2-oxazol-3-amine +c1cc(ccc1C[C@@H](C(=O)O)N)N HOX 4-amino-l-phenylalanine +C(CC(=O)O)[C@@H](CN)N HOZ (4s)-4,5-diaminopentanoic acid +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N HP0 (3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid +Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP1 ~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C HP2 hydroxypyrrole-imidazole-pyrrole polyamide +C[C@H](CO)O HP3 2,3-propandiol +[O-][PH2]=O HP4 phosphinate +Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C HP5 peroxidized heme form 2 +CCCCCCC HP6 heptane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O HP7 (2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid +c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O HP8 5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine +c1[nH]c2c(n1)N=CNC2=O HPA hypoxanthine +C[C@H]([C@H](Cc1ccccc1)N)O HPB 2-hydroxy-3-amino-4-phenyl butane +CC(=O)[C@H](Cc1ccccc1)N HPC 3-amino-4-phenyl-butan-2-one +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O HPD 1-hydroxy-pentane-3,4-diol-5-phosphate +c1ccc(cc1)CC[C@@H](C(=O)O)N HPE homophenylalanine +c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O HPF 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate +C(CO)CO HPG hydroxypropyloxy group +c1ccc(cc1)C[C@@H](C(O)O)N HPH (2s)-2-amino-3-phenylpropane-1,1-diol +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N HPI n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine +COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4 HPJ 1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one +c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-] HPK (3e)-2,6-dioxo-6-phenylhex-3-enoate +CCCCCCCNC=O HPL heptylformamide +COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5 HPM n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide +CCCCCCC(=O)N HPN heptanamide +CCCCCC(=O)CP(=O)(O)O HPO 2-oxoheptylphosphonic acid +c1cc(ccc1CCC(=O)O)O HPP hydroxyphenyl propionic acid +CC(=O)[C@H](CCc1ccccc1)N HPQ homophenylalaninylmethane +c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HPR 6-hydroxy-7,8-dihydro purine nucleoside +c1ccc(cc1)OP(=O)(O)O HPS phenyl dihydrogen phosphate +CC1=C(NC(=O)NC1=O)CCCO HPT 6-hydroxypropylthymine +CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3 HPU n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide +C(C(=O)C(=O)O)OP(=O)(O)O HPV 2-oxo-3-(phosphonooxy)propanoic acid +CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3 HPW n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide +c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O HPX (2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +C1=CNC(=O)N[C@H]1O HPY 4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one +c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O HPZ (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQ 2-heptyl-1,4-dihydroxy-quinolinium +Cc1cnc(n1CCC=C)C(=O)O HQ0 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid +c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O HQ2 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid +Cc1cnc(n1Cc2ccccc2)C(=O)O HQ3 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N HQ5 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine +CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O HQ6 n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide +CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C HQ7 5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid +C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O HQ8 (1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol +C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid +c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N HQA 3-(8-hydroxyquinolin-3-yl)-l-alanine +CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-] HQB ~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine +c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O HQC 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid +CC1=C(C(=O)c2ccccc2N1)O HQD 3-hydroxy-2-methylquinolin-4(1h)-one +c1cc(ccc1O)O HQE benzene-1,4-diol +c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N HQF 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N HQG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O HQH piericidin a +CC(=O)Nc1ccc(c2c1cccn2)O HQI n-(8-hydroxyquinolin-5-yl)acetamide +c1cc(cc(c1)Cl)c2c[nH]cn2 HQJ 4-(3-chlorophenyl)-1h-imidazole +CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl HQK pyridaben +c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4 HQL 4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine +Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O HQM (1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid +c1cc(c(cc1O)O)O HQN benzene-1,2,4-triol +CCCCCCCc1cc(c2ccccc2[n+]1[O-])O HQO 2-heptyl-4-hydroxy quinoline n-oxide +c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5 HQP 4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile +CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3 HQQ 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione +Cc1cn(c(n1)C(=O)O)CCC=C HQR 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid +c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F HQS n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide +c1ccc2c(c1)C=CN(C2=S)O HQT 2-hydroxyisoquinoline-1(2h)-thione +c1ccc2c(c1)cc(c(n2)C(=O)O)O HQU 3-hydroxyquinaldic acid +C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HQV (2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2 HQW aureothin +c1cc2cccnc2c(c1)O HQY quinolin-8-ol +[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O HQZ trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-) +Cc1c(c2nc(c3cccnc3n2n1)O)C#N HR0 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile +CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O HR1 (3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid +CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O HR2 (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid +COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HR3 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F HR4 (2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +Cc1c(cnn1C)C(=O)NCC2CCC2 HR5 ~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide +c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N HR6 (2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide +C(C[C@@H](CC(=O)O)N)CN=C(N)N HR7 (3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid +CC(C)CNC(=O)c1cc(ccc1OC)Cl HR8 5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide +c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O HR9 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid +c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO HRA 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol +CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C HRB n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine +Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O HRC n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide +CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC HRD 2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl HRE 4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile +c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O HRF 5-(benzylamino)pyridine-2,4-dicarboxylic acid +C(CCNC(=N)N)C[C@@H](C(=O)O)N HRG l-homoarginine +Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl HRH (4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one +CC(C)CC(C(=O)O)Cl HRI alpha-chloroisocaproic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3 HRJ 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O HRK (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol +COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O HRL 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid +Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC HRM 7-methoxy-1-methyl-9h-beta-carboline +C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8 HRN 3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Cl HRO 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N HRP 5-hydroxy-l-tryptophan +Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC HRQ 7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide +c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3 HRR 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid +c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O HRS 5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide +C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl HRT (4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one +CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7 HRU (ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium +C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl HRV n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide +Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C HRW 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide +c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O HRX [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) +CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl HRY 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one +C1=CC(=O)NC=C1 HRZ 1~{h}-pyridin-2-one +c1c(cc2c(c1N)cn[nH]2)Br HS0 6-bromanyl-1~{h}-indazol-4-amine +COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O HS1 2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide +COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O HS3 (2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO HS4 n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide +c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O HS5 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide +c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O HS6 2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide +c1ccc(cc1)S(=O)(=O)NCC(=O)N=O HS7 n-oxo-2-(phenylsulfonylamino)ethanamide +c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N HS8 3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine +CN[C@@H](Cc1c[nH]cn1)C(=O)N HS9 n-alpha-methyl-l-histidinamide +c1c(nc[nH]1)CC(COP(=O)(O)O)N HSA phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester +CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O HSC (s)-3-hydroxydecanoyl-coa +C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO HSD (1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol +C(CO)[C@@H](C(=O)O)N HSE l-homoserine +CCCCCCCCCCCCCCCCS(=O)(=O)F HSF 1-hexadecylsulfonyl fluoride +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O HSG octyl alpha-l-altropyranoside +CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O HSH octyl beta-d-galactopyranoside +CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl HSI (3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid +CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O HSJ octyl beta-l-talopyranoside +c1c(n(cn1)O)C[C@@H](C(=O)O)N HSK 3-hydroxy-l-histidine +C1COC(=O)[C@H]1N HSL homoserine lactone +c1c(nc[nH]1)CCN HSM histamine +c1c([nH+]c[nH]1)C[C@@H](CO)N HSO l-histidinol +c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O HSP 4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O HSQ 2-acetylamino-2-deoxy-alpha-l-idopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O HSR 2-(acetylamino)-2-deoxy-beta-d-glucopyranose +c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N HSS 5'-o-[(l-histidylamino)sulfonyl]adenosine +CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O HST 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O HSU beta-d-ribofuranose +c1c([nH+]c[nH]1)C[C@@H](C=O)N HSV l-histidinal +NS(=O)(=O)NO HSW n-hydroxysulfamide +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O HSX 5-o-phosphono-alpha-d-ribofuranose +C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O HSY alpha-l-xylopyranose +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O HSZ beta-d-xylopyranose +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O HT 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C HT1 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N HT2 5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole +CCCC[C@@H]([C@@H](CO)O)O HT3 (2r,3s)-heptane-1,2,3-triol +Cc1ccc(c(c1)S)O HT4 4-methyl-2-sulfanylphenol +CCCCCCCCCC(=O)N[C@H]1CCSC1=O HT5 (4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium +CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N HT6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N HT7 (3s)-3-amino-4-(1h-indol-3-yl)butanoic acid +c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HT8 (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC HTA n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide +c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5 HTB n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine +c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O HTC 3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C HTD 2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate +c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2 HTE (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCCCC(=O)N[C@H]1CCOC1=O HTF n-(2-oxotetrahydrofuran-3-yl)octanamide +CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O HTG heptyl 1-thio-beta-d-glucopyranoside +CCCC[C@H]([C@H](CO)O)O HTH (2s,3r)-heptane-1,2,3-triol +C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N HTI (4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine +c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O HTJ 6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O HTK (7s)-7-hydroxy-1-phenyloctane-1,3,5-trione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O HTL 2-acetyl-thiamine diphosphate +CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O HTM 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +CNC(=O)[C@@H]([C@H](C(=O)O)N)O HTN (3r)-3-hydroxy-n-methyl-d-asparagine +CCCC[C@H]([C@@H](CO)O)O HTO heptane-1,2,3-triol +c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO HTP 4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O HTQ homotropine +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O HTR beta-hydroxytryptophane +c1ccc(c(c1)O)S HTS 2-mercaptophenol +CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl HTT 7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol +c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O HTV 1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 HTW (5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one +CCCCCC(=O)C HTX heptan-2-one +c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O HTY (betar)-beta-hydroxy-d-tyrosine +CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6 HTZ [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone +c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O HU0 4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C HU1 tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C HU2 (2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid +c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br HU3 (1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C HU4 tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C HU5 (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU6 (1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O HU7 1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid +CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl HU8 ~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide +c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br HU9 (1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol +CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 HUB huperzine b +c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br HUC 6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C HUD tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7 HUE 6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O HUF [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5 HUG 1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid +c1cnn[nH]1 HUH 1~{h}-1,2,3-triazole +C[C@@H](CO)C(=O)O HUI (2s)-2-methyl-3-oxidanyl-propanoic acid +B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O HUJ [(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron +CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3 HUK butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium +COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O HUL 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C HUM (2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUN butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4 HUO (phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate +C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 HUP huperzine a +CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3 HUQ butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC HUR n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3 HUT (2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide +CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HUU 6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O HUV methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate +c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO HUW huprine w +CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1 HUX 3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine +CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F HUY 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C HUZ (2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide +Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F HV0 5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide +CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC HV1 methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate +C1C(CS1(=O)=O)O HV2 1,1-bis(oxidanylidene)thietan-3-ol +C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2 HV4 (5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one +CC(C)(C)[C@@H](C(=O)O)N HV5 tert-butylalanine +COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O HV6 (z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one +COc1ccc(c(c1)O)CN HV7 1-methylamine-2-hydroxy-4-methoxy-benzene +COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O HV8 benzyl-2-amino-paramethoxy-benzylstatine +Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F HV9 4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide +CC(C)([C@@H](C(=O)O)N)O HVA 3-hydroxy-l-valine +CCC(=[NH2+])N HVB 1-azanylpropylideneazanium +CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVD (1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+] HVE [1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium +C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C HVF equisetin +c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O HVG 4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid +CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 HVH ~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide +Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O HVJ (1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol +c1ccnc(c1)N HVK pyridin-2-amine +C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C HVL (3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol +c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 HVM (2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide +Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O HVN 3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O HVO 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone +c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid +c1cscc1C[NH3+] HVQ thiophen-3-ylmethylazanium +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO HVR 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol +C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-] HVS (1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2 HVT (3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O HVU 3-(1-methylpiperidin-4-yl)-1h-indol-5-ol +C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O HVV (4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one +CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F HVW (2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide +CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O HVX (2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid +CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C HVY n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O HVZ ~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N HW0 6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW1 6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O HW2 isoquercetin +CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O HW3 (2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F HW4 6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F HW5 6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F HW6 6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F HW7 6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3 HW8 4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C HW9 4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine +CC1=CC(=O)C(=C(N1)C(=O)O)O HWA 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O HWB cyanidin +C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N HWD 2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 HWE (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione +Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C HWG n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide +CC(=O)NCCc1c[nH]c2c1cc(cc2)F HWH ~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide +CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C HWI 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid +Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3 HWJ 3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid +c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O HWK 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid +CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O HWM 5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one +CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1 HWN 3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3 HWQ 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile +C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO HWS coprogen +CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N HWT 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O HWU (2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C HWV n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N HWW 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C HWX 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC HWY (3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N HWZ 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile +CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC HX0 n,n,n-trioctyloctan-1-aminium +C[C@H](CC[C@@H](C)O)O HX2 (2r,5r)-hexane-2,5-diol +c1cc(c(cc1NN)Cl)Cl HX3 (3,4-dichlorophenyl)hydrazine +c1ccc(cc1)c2cc(n[nH]2)N HX4 5-phenyl-1h-pyrazol-3-amine +CSc1nc(cc(n1)Cl)Cl HX5 4,6-dichloro-2-(methylsulfanyl)pyrimidine +c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO HX6 n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HX7 n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1ccc(cc1)Oc2ccc(cc2)O HX8 4-phenoxyphenol +C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C HX9 (2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid +CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O HXA docosa-4,7,10,13,16,19-hexaenoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O HXB 4'-methylthymidine 5'-(tetrahydrogen triphosphate) +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O HXC hexanoyl-coenzyme a +CCCCCCCCC[C@H](CC(=O)O)O HXD (3r)-3-hydroxydodecanoic acid +CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N HXE 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C HXF 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid +CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC HXG 1,2-dihexanoyl-sn-glycero-3-phosphocholine +c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O HXH (1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol +CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O HXJ 2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O HXK 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid +[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N HXL 2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide +CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HXM n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br HXN 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile +C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C HXO (2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide +c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O HXP 3,6-dihydroxy-xanthene-9-propionic acid +CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C HXQ 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide +c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N HXR n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide +CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O HXS 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol +c1ccc(cc1)C(=O)CO HXT 2-hydroxy-1-phenylethanone +CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3 HXV 6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine +CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N HXW 2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile +c1cc(c(c(c1Cl)C(=O)O)O)Cl HXX 3,6-dichloro-2-hydroxybenzoic acid +c1cc(ccc1CN2CCCC2)Br HXY 1-(4-bromobenzyl)pyrrolidine +CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O HXZ 4'-ethylthymidine 5'-(tetrahydrogen triphosphate) +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N HY0 hygromycin b variant +c1ccc(cc1)CC=O HY1 phenylacetaldehyde +COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O HY2 2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione +C1CN[C@@H]([C@H]1O)C(=O)O HY3 3-hydroxyproline +CCCCOC[C@H](COP(=O)(CCC)O)OCCCC HY4 (2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate +C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC HY5 fc-ncpc +c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N HY6 n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide +CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br HY7 8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N HY8 (2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid +C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C HY9 2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid +C([C@H]([C@@H](/C(=N/O)/O)O)O)O HYA 2,3,4,n-tetrahydroxy-butyrimidic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C HYB [2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O HYC o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine +[OH-] HYD hydroxy group +C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O HYE (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde +CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O HYF 4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione +CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N HYG hygromycin b +CCCC[C@H](C(=O)N)O HYH (2r)-2-hydroxyhexanamide +C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N HYI (2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYK 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N HYM (4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one +C1C(=O)NC(=O)N1 HYN imidazolidine-2,4-dione +CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 HYO [(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate +C1[C@H](CN[C@@H]1C(=O)O)O HYP 4-hydroxyproline +c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5 HYQ rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione +c1ccc(cc1)OCCNC=S HYR n-(2-phenoxyethyl)methanethioamide +CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O HYS n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F HYT 2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide +c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5 HYV [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C HYW 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea +CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HYY n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5 HYZ n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine +C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O HZ0 (10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate +CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C HZ1 (3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N HZ2 (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid +COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC HZ3 dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate +CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O HZ4 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +Cc1c(c(n(n1)C)C)NS(=O)(=O)C HZ5 ~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide +CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O HZ7 (1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] +CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C HZ8 ~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine +C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O HZB (1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol +C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C HZC [(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine +C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6 HZD 4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4 HZE 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O HZF (3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid +CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C HZG 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium +c1ccc(cc1)CCSCC(=O)C(F)(F)F HZH 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one +C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N HZJ (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate +c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2 HZK (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC HZL [(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate +CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZM 2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +NN HZN hydrazine +C1[C@@H](CN[C@@H]1C(=O)O)O HZP (4s)-4-hydroxy-l-proline +c1cc2c(ccc(c2nc1)O)Cl HZQ 5-chloranylquinolin-8-ol +CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3 HZR 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one +c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3 HZT ~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O HZU (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid +CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 HZV 2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O HZW (3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-] HZX 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N HZY 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(=CCC/C(=C\COP(=O)(O)O)/C)C HZZ [(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O I inosinic acid +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I01 (4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N I02 3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N I03 (2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate +COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I04 n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide +COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I05 (3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide +c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2 I06 2-phenethyl-2,3-dihydro-phthalazine-1,4-dione +COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O I08 (3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide +CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl I09 (3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide +CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1 I0D 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O I0E (2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid +CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I0F 2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide +c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O I0G (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O I0M 2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O I0N methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C I0O 4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I0P d-myo inositol 1,4,5,6 tetrakisphosphate +C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-] I0Q (2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl I0T n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide +CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC I0V (6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I0W 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0X nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 I0Y nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide +CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O I10 1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone +c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3 I11 [[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C I12 n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide +C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl I13 1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea +Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C I14 n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide +Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1 I15 5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile +c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5 I16 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine +c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5 I17 2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine +CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl I18 (4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole +Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F I19 n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O I1C {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCC(=O)c1ccccc1 I1E 1-phenylpropan-1-one +CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl I1G 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate +COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4 I1H 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide +C(c1n[nH]nn1)C(=O)N[NH3+] I1L [2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium +C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O I1N (2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone +CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4 I1P 2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]- +c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O I1S [(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-] I1T (1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C I1W (1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C I1Z (1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O I20 (2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid +C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N I21 2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile +C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O I22 d-altro-hept-2-ulose 7-phosphate +Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C I23 n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide +CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4 I24 2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I25 (2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid +[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N I26 (2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O I27 methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate +CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4 I28 ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate +CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl I29 [(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone +Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O I2A hydroxocobalamin +Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O I2C 5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +c1cc2c(cc1CCC(=O)O)OCO2 I2E 3-(1,3-benzodioxol-5-yl)propanoic acid +COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N I2H 5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine +II I2I molecular iodine +CCC(C)(C)[C@@H](C(=O)O)N I2M 3-methyl-l-alloisoleucine +Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5 I2O n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide +[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I2P d-myo-inositol-2,4,5-triphosphate +C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O I2V (1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid +C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2 I30 n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide +CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C I31 (4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole +CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O I32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile +c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4 I33 7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide +Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl I34 n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea +CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC I35 [(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate +c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N I37 4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide +C[C@H](C(=O)O)NC(=O)CCS I38 n-(3-mercaptopropanoyl)-d-alanine +Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N I39 [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone +c1ccc2c(c1)c(c[nH]2)C=O I3A 1h-indole-3-carbaldehyde +c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid +CCc1ccc(cc1)C(=O)CC I3E 1-(4-ethylphenyl)propan-1-one +COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl I3K n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine +I[I-]I I3M tri-iodode anion +Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O I3N 1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid +[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3P d-myo-inositol-1,4,5-triphosphate +[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I3S (1s,3s,4s)-1,3,4-triphospho-myo-inositol +CC1=C(C(=O)NC(=O)N1)N I3V 5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I I40 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O I41 2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid +O[V](=O)([O-])[O-] I42 hydroxy(dioxido)oxovanadium +CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO I43 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one +Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC I45 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide +c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F I46 2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine +c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl I47 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol +Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3 I48 n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide +c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3 I4A 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid +CC(C)Cc1ccccc1 I4B isobutylbenzene +[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O I4D d-myo-inositol-4-phosphate +CC(C)CNCC(=O)O I4G n-(2-methylpropyl)glycine +C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O I4I 3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O I4L (2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid +C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O I4P (1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate +CC1=NNC(=NC1=O)C I4S 3,6-dimethyl-2~{h}-1,2,4-triazin-5-one +CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O I4U 4-isopropyl, uridine-5'-monophosphate +[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl I50 n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide +CC1=C(NC(=O)NC1=O)C=C(CO)CO I51 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO I52 n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide +c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl I53 2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol +CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3 I57 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en onic acid +[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F I58 4r-fluoro-n6-ethanimidoyl-l-lysine +c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O I59 hydroxy(1-naphthyl)methylphosphonic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O I5A 5'-deoxy-5'-iodocytidine +CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC I5B (5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O I5C 5-iodo-2'-deoxy-cytidine-5'-monophosphate +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3 I5H (5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione +c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3 I5I 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole +Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F I5N 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine +C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O I5P inositol-(1,3,4,5,6)-pentakisphosphate +c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3 I5R (2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one +c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl I5S isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4 I5T 4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide +[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N I5U n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide +Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 I5W (~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +C1CC1C2=NC(=O)NC(=O)C2 I5Z 6-cyclopropyl-5~{h}-pyrimidine-2,4-dione +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O I63 {3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid +CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4 I66 ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N I67 n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide +COc1cc2cc[nH]c2cc1c3ccncc3 I6A 5-methoxy-6-pyridin-4-yl-1~{h}-indole +Cc1c(nc2c(ccc(c2n1)O)OC)C I6G 8-methoxy-2,3-dimethylquinoxalin-5-ol +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O I6J (2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I6P inositol 1,2,3,4,5,6-hexakisphosphate +CCC1=NC(=O)NC(=O)C1 I6R 6-ethyl-5~{h}-pyrimidine-2,4-dione +CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O I6W ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate +CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC I6X 5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C I70 (1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O I73 (3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O I74 (3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol +CC(=O)c1ccc(c(c1)OC)O I75 1-(4-hydroxy-3-methoxyphenyl)ethanone +CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N I76 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN I77 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide +Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O I79 {1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid +c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N I7A 4,5-dichlorobenzene-1,3-disulfonamide +c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N I7B 4-amino-6-chlorobenzene-1,3-disulfonamide +c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F I7C 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide +CC(C)(C)c1ccccc1 I7E tert-butylbenzene +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O I7K 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O I7N n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O I7P (1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I I7T 7-iodotetracycline +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O I7V (3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COc1cccc(c1)CN2CCC(CC2)C(=O)N I81 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide +CNc1c2c(c([nH]n2)c3ccccc3)ncn1 I82 ~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +CN[Pt](N(C)C)(Cl)Cl I83 bis(chloranyl)-(dimethylamino)-(methylamino)platinum +Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C I84 [2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine +c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O I85 n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide +C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C I87 (2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CC1(CN(C1(C)C)C(=O)NCC2CC2)C I8A n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide +c1cc(ccc1C(=O)N2CCSCC2)Cl I8D (4-chlorophenyl)(thiomorpholin-4-yl)methanone +c1cc(ccc1OCC(=O)N2CCCC2)F I8G 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one +CC1(CC1)S(=O)(=O)N2CCC=C(C2)F I8J 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine +c1ccc(c(c1)CN2CCOCC2)O I8M 2-[(morpholin-4-yl)methyl]phenol +Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC I8N 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O I8P (1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O I8Q 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC I8R 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O I8U 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O I8Y 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O I91 n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine +c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br I92 4-(2-bromophenyl)-2,4-dioxobutanoic acid +Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F I93 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid +CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3 I96 n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine +c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl I98 {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O I99 (3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid +COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O I9C methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate +COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O I9F dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate +C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1 I9G 8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline +CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO I9H n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide +c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O I9K (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4 I9N 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione +c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O I9Q n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I IA 2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl IA2 2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O IA3 methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3 IA4 ~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine +COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O IA5 methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3 IA7 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile +Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F IA9 2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O IAA ({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO IAB iso-acarbose +c1ccc2c(c1)c(c[nH]2)CC(=O)O IAC 1h-indol-3-ylacetic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O IAD n-[1h-indol-3-yl-acetyl]aspartic acid +c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O IAG n-[1h-indol-3-yl-acetyl]glycine acid +CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N IAM 4-[(isopropylamino)methyl]phenylalanine +CO[C@@H](c1ccccc1)[P@@](=O)(O)OC IAN methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate +B(c1cccc(c1)NC(=O)CI)(O)O IAP 4-iodo-acetamido phenylboronic acid +Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C IAQ (2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide +[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O IAR (2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid +C([C@@H](C(=O)O)N)C(=O)O IAS beta-l-aspartic acid +CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2 IAV n-[1h-indol-3-yl-acetyl]valine acid +C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC IB 2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F IB1 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N IB2 p1-p2-methylene-p3-thio-diadenosine triphosphate +Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O IB3 [(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid +CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 IB5 ~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide +CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O IB8 (7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid +CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O IBA 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid +c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O IBB 5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole +C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N IBC 3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine +CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC IBD 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +c1(c(c(c(c(c1F)F)I)F)F)F IBF 1,2,3,4,5-pentafluoro-6-iodobenzene +c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I IBG gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine +Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O IBH (nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide +CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C IBI n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide +CC(C)CNC(=O)COCc1cc(on1)c2cccs2 IBK n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide +CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C IBM 3-isobutyl-1-methylxanthine +CC(C)CN IBN 2-methylpropan-1-amine +CC(C)C(=O)N IBO 2-methylpropanamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O IBP ibuprofen +CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O IBQ iodo-bedaquiline +c1cc(c(cc1N)C=O)CC(=O)OCCBr IBR (2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate +C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IBS l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate +CC(C)COC(=O)O IBU 2-methylpropyl hydrogen carbonate +c1ccc(c(c1)CS)I IBZ 2-iodobenzylthio group +C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IC isocytidine-5'-monophosphate +COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC IC1 3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one +c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N IC3 [2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2 IC6 (2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N IC8 2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccc(cc1)CS(=O)(=O)CNC IC9 n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine +C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O ICA isocitrate calcium complex +c1ccc2c(c1)cc([nH]2)C(=O)O ICB 1h-indole-2-carboxylic acid +C1CCC(=O)NCC1 ICC azepan-2-one +Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O ICD 4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81 ICE iron-sulfur-molybdenum cluster with interstitial carbon +[C@H](C(F)(F)F)(OC(F)F)Cl ICF 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether +C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12 ICG iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9 ICH iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICI isocitric acid +CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C ICJ (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol +CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C ICL [1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester +CC(C)[C@@](C)(C#N)O ICN (s)-2-hydroxy-2,3-dimethylbutanenitrile +c1ccc2c(c1)c(c[nH]2)C(=O)O ICO 1h-indole-3-carboxylic acid +CC1=NC(=N)C(=C)C=N1 ICP 2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine +[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O ICR (4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid +C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 ICS iron-sulfur-molybdenum cluster with interstitial carbon +C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICT isocitric acid +CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC ICU methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate +COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I ICX methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate +c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I ICY s-(2-iodobenzyl)-l-cysteine +C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21 ICZ iron-sulfur-molybdenum cluster with interstitial carbon +CNC(=O)c1c2c([nH]n1)CCCC2 ID0 n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide +C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O ID1 imipenem +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O ID2 5-iododeoxyuridine +CC1=C(C(CCC1)(C)C)/C=C/C(=O)C ID3 (3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one +c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3 ID4 4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide +c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F ID5 [5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid +CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C ID6 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one +Cc1cccc(c1C)Nc2ccccc2C(=O)O ID8 2-[(2,3-dimethylphenyl)amino]benzoic acid +CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N IDA (2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid +c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I IDB 3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid +c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O IDC (5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside +c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDD (5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O IDE (5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol +[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O IDF 5-fluoro-alpha-l-idopyranosyluronic acid fluoride +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N IDG 2,6-diamino-2,6-dideoxy-beta-l-idopyranose +C1[C@@H](C(=O)NC(=O)N1)I IDH (5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione +c1cc2c(cc1I)CNCC2 IDI 7-iodo-1,2,3,4-tetrahydro-isoquinoline +C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O IDJ (2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid +c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 IDK n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide +c1ccn2c(c1)ncc2CC(=O)O IDL imidazo[1,2-a]pyridin-3-ylacetic acid +c1ccc2c(c1)CCN2 IDM indoline +Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4 IDN (e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide +[I-] IDO iodo group +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O IDP inosine-5'-diphosphate +CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N IDQ 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O IDR alpha-l-idopyranuronic acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDS 2-o-sulfo-alpha-l-idopyranuronic acid +[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O IDT 4,5-dehydro-l-iduronic acid +[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDU 2-o-sulfo-beta-l-altropyranuronic acid +CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4 IDV n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O IDX 2-o-sulfo-alpha-l-gulopyranuronic acid +CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O IDY 1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3 IDZ 3-(1h-benzimidazol-2-yl)-1h-indazole +Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N IE2 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide +c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN IE4 n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide +Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN IE6 n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide +c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5 IE8 5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine +Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl IEE 6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine +CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F IEF propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate +Cc1ccccc1S(=O)(=O)N IEJ o-toluenesulfonamide +[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N IEL n~6~-[(1z)-ethanimidoyl]-l-lysine +CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C IEM 2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid +c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3 IEO 3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC IEP [(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C IES propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate +c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl IET 1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea +c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O IEY {5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O IF1 (1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid +CNc1c2c(nc(n1)NC)n(cn2)C IF3 ~{n}2,~{n}6,9-trimethylpurine-2,6-diamine +[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O IF6 (1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy- +C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO IF7 (3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one +COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F IFA methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate +c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O IFB n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine +Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F IFC n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O IFG (2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine +C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO IFL (3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one +C1[C@@H]([C@H]([C@@H](CN1)O)O)CO IFM 5-hydroxymethyl-3,4-dihydroxypiperidine +C=C1C=NC(=NC1=N)C(F)(F)F IFP 2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine +CC(C)OP(=O)(c1ccccc1CS)OC(C)C IFS bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate +CNc1c2c(c([nH]n2)Br)ncn1 IFZ 3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N IG isoguanosine-5'-monophosphate +c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O IG2 (2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1[nH]c2c(n1)NC(=O)N=C2N IGA 6-amino-3,7-dihydro-2h-purin-2-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O IGC n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide +Cc1cc(c(s1)C)S(=O)(=O)NC IGF n,2,5-trimethyl-3-thiophenesulfonamide +c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N IGL alpha-amino-2-indanacetic acid +c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O IGM 2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide +C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O IGN {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid +c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O IGP indole-3-glycerol phosphate +CC1=C(C(=O)N(C(=O)N1)C)N IGT 5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione +C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O IGU 2'-deoxyisoguanine-5'-monophosphate +COC1=CC(=O)NC(=O)N1 IGX 6-methoxy-1h-pyrimidine-2,4-dione +c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br IH1 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N IH2 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide +CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N IH3 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide +CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5 IH4 n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl) +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl IH5 {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid +CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C IH6 (3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide +c1cc(cc(c1)O)CNCCS(=O)(=O)O IH9 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid +COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC IHA {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +c1cc(c(cc1C(=O)O)I)O IHB 3-iodo-4-hydroxybenzoic acid +c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl IHC {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid +CCCCCCCCCCCCCCCCI IHD 1-iodohexadecane +CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N IHE 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile +CCC1=C(C(=O)NC(=O)N1)N IHF 5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione +CC(C)NC(=N)NO IHG n-isopropyl-n'-hydroxyguanidine +c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5 IHH [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile +c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5 IHI 9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile +CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5 IHJ 9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile +CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F IHM n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O IHP inositol hexakisphosphate +CCCCCCCC1=C(C(=O)c2ccccc2N1O)I IHQ 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one +Cc1c2c(c(ncn2)NC3CC3)n[nH]1 IHR ~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine +C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O IHS d-myo-inositol-hexasulphate +COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O IHU n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea +CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F IHX 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol +Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F IHZ 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide +c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N II2 5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione +Cc1cccc(c1)n2cnc3c2ccc(c3)N II4 1-(3-methylphenyl)-1h-benzimidazol-5-amine +C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN II6 [(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl IIA 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl IIB 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide +c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N IIC 4-imidazolmethylene-5-imidazolone chromophore +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC IID n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide +CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl IIE 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide +C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O IIG n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide +c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I IIH 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol +CN(C)c1c2ccccc2nc(n1)N3CCCC3 III ~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine +CC[C@@H](C)[C@@H](C(=O)O)N IIL iso-isoleucine +CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N IIN 2-methyl-3-amino-3-phenylisoindol-1-one +Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C IIP imidazole-pyrrole polyamide +Cc1cccc(c1)CNCCS(=O)(=O)O IJ1 2-[(3-methylbenzyl)amino]ethanesulfonic acid +c1cc(oc1)CNCCS(=O)(=O)O IJ2 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid +Cc1cc(ccc1F)CNCCS(=O)(=O)O IJ4 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid +C1CCC(CC1)CNCCS(=O)(=O)O IJ6 2-[(cyclohexylmethyl)amino]ethanesulfonic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O IJE {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid +C1(=C(NC(=O)NC1=O)C(=O)O)N IJZ 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N IK1 5-phenyl-2-ureidothiophene-3-carboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O IK2 4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate +c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N IK4 n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F IK8 1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide +c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2 IK9 2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol +C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O IKM (4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid +Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC IKR methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate +C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N IKT 3-(1-aminoethyl)nonanedioic acid +c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO IKX 4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid +c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F IKY n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide +CC[C@H](C)[C@@H](C(O)O)N IL0 (2s,3s)-2-amino-3-methylpentane-1,1-diol +CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O IL2 (5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid +CC#CCOc1ccc(cc1)CNS(=O)(=O)N IL3 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene +c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O IL5 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide +CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ILA n-[isoleucinyl]-n'-[adenosyl]-diaminosufone +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F ILB 2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid +COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O ILC 3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C ILD (4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CC[C@H](C)[C@@H](C(=O)O)N ILE isoleucine +CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 l-isoleucine c-terminal deprotonated fragment +CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H l-isoleucine c-terminal protonated fragment +CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH l-isoleucine free neutral +CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW l-isoleucine free zwitterion +CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL l-isoleucine - linking embedded fragment +CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 l-isoleucine n-terminal protonated fragment +c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F ILF 3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid +C(C[C@@H](C(=O)O)[NH3+])C=O ILG glutamyl group +c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F ILH 2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid +C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3 ILI n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide +c1cc2c(cc1Cl)C(=CC(=O)N2)CN ILL 4-(aminomethyl)-6-chloroquinolin-2(1h)-one +CC[C@H](C)[C@@H](C(=O)OC)N ILM methyl l-isoleucinate +CC(=N)NCCC[C@@H](C(=O)O)N ILO n5-iminoethyl-l-ornithine +CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O ILP n-[o-phosphono-pyridoxyl]-isoleucine +[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N ILT monoimidazole lexitropsin +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO ILV (2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N ILX 4,5-dihydroxyisoleucine +CC(C)NCCCC[C@@H](C(=O)O)N ILY n~6~-propan-2-yl-l-lysine +CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O IM1 (2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide +[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O IM2 (5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid +[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O IM3 (2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid +c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl IM4 (2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine +c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO IM5 2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4 IM6 4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide +CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C IM7 (5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IM8 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide +Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO IM9 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol +C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5 IMA [4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium +c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O IMB [(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid +CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O IMC n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate +c1c[nH+]c[nH]1 IMD imidazole +c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2] IME tetra(imidazole)diaquacopper (ii) +C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2] IMF tetra(imidazole)diaquacopper (i) +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMG 1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol +c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O IMH 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2 IMI 2-iminobiotin +Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4 IMJ (2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide +Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O IMK 2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole +CC[C@H](C)[C@@H](C(=O)O)NC IML n-methyl-isoleucine +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O IMM 1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O IMN indomethacin +c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O IMO 6-o-phosphoryl inosine monophosphate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O IMP inosinic acid +c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O IMQ (2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol +C1[C@@H]([C@@H]([C@H](N1)CO)O)O IMR iminoribitol +CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C IMS 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide +Cn1cc(nc1C(=O)O)N IMT 4-amino-(1-methylimidazole)-2-carboxylic acid +c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IMU phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester +c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 IMV 5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid +CC1=CC(=O)C(=CC1=O)C(C)C IMW 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione +c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IMX [(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC IMY 1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine +CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC IMZ cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone +[In+3] IN indium (iii) ion +CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl IN0 n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid +CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O IN1 4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate +CN(C)C(=O)NN(CCCCN)C(=O)O IN2 n,n-dimethylcarbamoyl-alpha-azalysine +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3 IN3 1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide +[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N IN4 +/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O IN5 {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid +CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 IN6 n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide +c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O IN7 [4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid +c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3 IN8 [2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester +CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S IN9 2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide +CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 INA 1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C INB 1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide +CC(C)C[C@H](C(=O)OC)N(C(=O)C)O INC 2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester +c1ccc2c(c1)cc[nH]2 IND indole +c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br INE 3-bromo-7-nitroindazole +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO INF d-[(n-hydroxyamino)carbonyl]phenylalanine +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N ING d-[(amino)carbonyl]phenylalanine +C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2 INH n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] INI 5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O INJ 5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid +CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl INK (rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride +COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INL 6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N INM 4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C INN n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide +c1c[n+](c(cc1C(=O)O)O)[O-] INO 2-hydroxyisonicotinic acid n-oxide +CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3 INP 4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n +c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 INQ 6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide +c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2 INR 2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid +C1(C(C(C(C(C1O)O)O)O)O)O INS 1,2,3,4,5,6-hexahydroxy-cyclohexane +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2 INT [[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O INU n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide +c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F INV 4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N INW 4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide +CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O INX 2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid +CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl INY carpropamide +CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O INZ 2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid +c1ccc(cc1)COc2ccc(cc2)CC(=O)O IO2 2-(4-phenylmethoxyphenyl)ethanoic acid +CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O IO3 iophenoxic acid +CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N IO5 (2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide +c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N IOA 4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide +c1cc(cc(c1)I)CO IOB 3-iodo-benzyl alcohol +c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N IOC 4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide +[I-] IOD iodide ion +c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N IOE 4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide +c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N IOF 4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5 IOG n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide +CC(C)O IOH 2-propanol, isopropanol +C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 IOK n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide +c1cc(ccc1O)I IOL 4-iodophenol +CN(CC(=O)O)C(N)N IOM (diaminomethyl-methyl-amino)-acetic acid +C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C ION aristolochene +c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F IOO n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate +c1ccc2c(c1)c(c[nH]2)CCC(=O)O IOP indolylpropionic acid +C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N IOR n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine +c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O IOS 3-sulfooxy-1h-indole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N IOT arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester +c1ccc(cc1)CS(=O)(=O)O IOX phenylmethanesulfonic acid +c1cc(ccc1C[C@H](C(=O)O)N)I IOY p-iodo-d-phenylalanine +CC(C)c1ccccc1O IP0 2-(1-methylethyl)phenol +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C IP1 isopenicillin n +[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O IP2 d-myo-inositol-4,5-bisphosphate +CC(C)CCO IP3 1-hydroxy-3-methylbutane +CC1(CCC(=O)N1C)C IP4 1-methyl-2-oxy-5,5-dimethyl pyrrolidine +C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O IP5 (1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] +c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N IP6 n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine +c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4 IP7 n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine +CC(=C)CCOP(=O)(O)O IP8 isopentenyl phosphate +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC IP9 (2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate +CC(C)O IPA isopropyl alcohol +Cc1ccc(c(c1)O)C(C)C IPB 5-methyl-2-(1-methylethyl)phenol +Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C IPC 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid +[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O IPD d-myo-inositol-1-phosphate +CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O IPE 3-methylbut-3-enyl trihydrogen diphosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C IPF n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide +CC(C)NCC(=O)O IPG n-isopropyl glycine +c1ccc(cc1)O IPH phenol +CC(C)CCP(=O)(O)O IPI 3-methylbutylphosphonic acid +c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O IPJ 4-hydroxy-chalcone +c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4 IPK 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine +c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O IPL indole-3-propanol phosphate +CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O IPM 3-isopropylmalic acid +C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I IPN 2-aminoethylglycine-carbonylmethylene-5-iodouracil +c1cc(ccc1C[C@H](C(=O)NO)N)I IPO para-iodo-d-phenylalanine hydroxamic acid +c1cc(ccc1CC(=O)NC[P@H](=O)O)I IPP (p-iodophenylacetylamino)methylphosphinic acid +CC(C)CCO[P@@](=O)(O)OP(=O)(O)O IPR isopentyl pyrophosphate +OP(=O)([O-])[O-] IPS inorganic phosphate group +CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IPT 1-methylethyl 1-thio-beta-d-galactopyranoside +CC(C)SC(=N)N IPU s-isopropyl-isothiourea +Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO IPV [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol +c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl IPW (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone +c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F IPX 4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C IPY imidazole-pyrrole polyamide +CC(C)c1c(nccn1)OC IPZ 2-isopropyl-3-methoxypyrazine +C1CCC(C1)C(=O)O IQ0 cyclopentanecarboxylic acid +CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4 IQ1 3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline +Cc1cc2c(cc1NC(=O)C)nc(s2)N IQ5 n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide +c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4 IQ6 6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine +COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl IQ7 2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide +c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O IQA (5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid +c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br IQB n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide +c1cc2c(c(c1)O)CC=NC2=O IQD 5-hydroxyisoquinolin-1(4h)-one +Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4 IQG n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate) +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC IQK n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) +[H]/N=C(/c1ncccn1)\NC IQL n-methylpyrimidine-2-carboximidamide +c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O IQO 1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one +C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3 IQP 1-(5-isoquinolinesulfonyl)-2-methylpiperazine +c1cc(cc(c1)C(=O)O)c2cccc(c2)O IQQ 3-(3-hydroxyphenyl)benzoic acid +CNCCNS(=O)(=O)c1cccc2c1ccnc2 IQS n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide +c1cc2cnccc2c(c1)S(=O)(=O)NCCN IQU n-(2-aminoethyl)isoquinoline-5-sulfonamide +Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N IQW 5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C IQX n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide +c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O IQZ (12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one +[Ir+4] IR iridium ion +c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O IR1 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one +c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6 IR2 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one +[Ir+3] IR3 iridium (iii) ion +CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4 IR4 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO IR5 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C IR6 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone +C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR8 [(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O IR9 [(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)] +COc1ccc(cc1CC(=O)O)Br IRA (5-bromo-2-methoxyphenyl)acetic acid +c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O IRB (2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid +CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O IRC s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate +COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2 IRE gefitinib +Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O IRF 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol +c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N IRG n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine +COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O IRH isorhamnetin +[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3] IRI iridium hexammine ion +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O IRK (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C IRL (2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name) +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IRN 1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole +C1(=C(NC(=O)NC1=O)C(=O)O)I IRO 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O IRP (1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O IRR n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide +CC(=C)CN IRS 2-methylprop-2-en-1-amine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC IRW (1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O IS1 3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium +CCc1ccc(cc1)NC(=O)P(=O)(O)O IS2 [(4-ethylphenyl)amino]carbonylphosphonic acid +CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S IS3 isopentenyl diphosphate beta-s +Cc1ccc2c(c1)CC(=O)N2C IS7 1,5-dimethyl-3~{h}-indol-2-one +C(=N)=S IS8 isothiocyanate +c1cc(ccc1C[C@@H](C(=O)O)S)I ISA 3-(4-iodo-phenyl)-2-mercapto-propionic acid +CC(C)C(=O)O ISB isobutyric acid +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O ISC (5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O ISD isoascorbic acid +[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O ISE (2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone +C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O ISF p-(2'-iodo-5'-thenoyl)hydrotropic acid +CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N ISH (7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N ISI (7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine +C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O ISJ (3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O ISL 6-o-alpha-d-glucopyranosyl-d-fructose +COC(=O)Cc1ccc(cc1C(=O)O)N ISM 5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid +c1ccc2c(c1)C(=O)C(=O)N2 ISN isatin +CC(C)c1ccc(cc1)N ISO para-isopropylaniline +CC(C)OP(=O)(O)O ISP phosphorylisopropane +c1ccc2cnccc2c1 ISQ isoquinoline +C(CO)C(=O)CN\C=C\C=O ISS (2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal +CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N IST isostatine +[H]/N=C(/N)\[Se]CC ISU se-ethyl-isoselenourea +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C ISW {3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron +C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO ISX (3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside +CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O ISY 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid +[H]/N=N/C(=O)c1ccncc1 ISZ 4-(diazenylcarbonyl)pyridine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O IT1 (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C1COCCN1C(=S)S IT2 morpholine-4-carbodithioic acid +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IT3 (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N IT5 4-cyano-4-phenylpiperidine-1-carbodithioic acid +CC1=CC(=O)[C@H](CC1)C(=C)C IT9 (-)-isopiperitenone +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O ITA {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid +c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O ITB 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide +C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C ITC iso-7-chlortetracycline +CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C ITD (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate +CNc1[nH]c2cc3c(cc2n1)N=CNC3=O ITE 2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O ITG (1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7 ITI n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C ITL (3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid +C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O ITM isocitric acid-magnesium complex +C=C(CC(=O)O)C(=O)O ITN 2-methylidenebutanedioic acid +C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O ITP phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester +C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC ITQ 1,2,3,4-tetrahydrogen staurosporine +c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O ITR imino-tryptophan +[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O ITS inositol 1,3,4,5-tetrakisphosphate +c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O ITT inosine 5'-triphosphate +CCSC(=N)N ITU ethylisothiourea +C=C(Cc1c[nH]c2c1cccc2)C(=O)O ITW 2-[(1h-indol-3-yl)methyl]prop-2-enoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC ITX (1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CCCCCC#CCC#CCC#CCC#CCCCC(=O)O ITY icosa-5,8,11,14-tetraynoic acid +CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N ITZ 2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I IU 5-iodouridine-5'-monophosphate +Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3 IU1 1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C IU5 iso-ursodeoxycholic acid +CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O IU6 6-ethyl-iso-ursodeoxycholic acid +CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O IUB (1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid +c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O IUG 1-(2-nitrophenyl)ethyl udp-galactose +CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 IUL 4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile +[O-][U+4][O-] IUM uranyl (vi) ion +C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO IUP 5-(hydro)peroxoisourate +C1=C(C(=O)NC(=O)N1)I IUR 5-iodouracil +c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F IUU 4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine +CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C IUY ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate +Cc1c(ccc2c1nc(s2)N)Cl IV2 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine +Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C IV7 (10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +CC(C)CC(=O)O IVA isovaleric acid +CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O IVC isovaleryl-coenzyme a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI IVF n-(iodoacetyl)-l-valyl-l-phenylalaninamide +CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IVH 2-(butylsulfanyl)adenosine +c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl IVK (3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide +C[N+]1(CCCC1)CCCC(=O)O IVL 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium +CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C IVM (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside +CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVS 3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester +Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C IVU 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile +CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O IVV n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide +c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl IW1 2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol +c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl IW2 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N IW3 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol +c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br IW4 4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline +c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N IW5 4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline +COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC IW6 2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline +CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N IW7 2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid +CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br IW8 1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I IWD 2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid +Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N IWH 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide +c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F IWP 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol +c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 IWR 4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide +c1ccc(cc1)c2nnc(o2)S IWT 5-phenyl-1,3,4-oxadiazole-2-thiol +B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O IWW [(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid +c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F IWX n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide +COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O IX1 5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid +Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O IX6 (11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O IXA n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O IXD 4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid +CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N IXE n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine +CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N IXF n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine +CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N IXG n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine +C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6 IXH 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide +c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 IXM (z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime +CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N IXN 2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine +C[N+](C)(C)CC#CCOC1=NOCC1 IXO 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6 IXP (5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate +CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F IXS n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4 IXV n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide +CCOC(=O)C[C@H]1CO1 IXW ethyl (2s)-oxiran-2-ylacetate +CN(C)CCCN1c2ccccc2CCc3c1cccc3 IXX 3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine +c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3 IXY n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4 IXZ n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide +Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N IY1 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile +c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F IY5 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN IY7 (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O IYG n-alpha-acetyl-3,5-diiodotyrosylglycine +c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O IYP (2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)O IYR 3-iodo-tyrosine +C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O IYT n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine +COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N IYX 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine +CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4 IYZ 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone +c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ1 n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F IZ2 n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide +c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F IZ3 3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide +c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ4 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F IZ5 n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide +Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N IZ9 (e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3 IZA 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one +CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5 IZB n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide +C1N=CC(=N1)CC(=O)O IZC 2h-imidazol-4-ylacetic acid +CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N IZD isothiazolidinone analog +c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O IZE n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide +COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O IZF methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate +CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O IZG 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione +CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4 IZN (4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one +C#CCC[C@@H](C(=O)O)N IZO (2s)-2-aminohex-5-ynoic acid +C[C@H](c1ccc(cc1)CC(C)C)C(=O)O IZP (2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid +c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N IZX 1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N IZZ (2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol +B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O J00 2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid +C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O J01 (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O J02 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid +COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O J03 (2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol +COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N J04 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium +CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O J05 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid +C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C J06 [(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate +CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl J07 4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N J08 4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N J0A (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate +CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I J0B 1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N J0C 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C J0D 1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N J0E 1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CCCc1c(c2cnc(nc2[nH]1)C)Br J0F 5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine +C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3 J0G 2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide +C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N J0J d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0K 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CC1(c2cccc(c2NC1=O)NC)C J0L 3,3-dimethyl-7-(methylamino)-1h-indol-2-one +C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O J0M d-galactonic acid +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C J0N 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4 J0P n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC J0S (3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J0T (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C J0U (2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one +Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C J0V 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid +CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O J0W (e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O J0X 2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F J0Y (2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide +CC(=O)OCc1ccccc1 J0Z benzyl acetate +CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C J10 methyl farnesoate +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F J11 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN J12 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide +C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-] J13 (1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F J14 n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN J15 n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F J18 [(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol +COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2 J19 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one +c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O J1A 5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1B 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1C 5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C J1D 5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine +c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O J1E (2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1F ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3 J1G n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide +C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O J1H [(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C J1I 5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine +c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O J1J n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide +c1cc(ccc1C(=O)NCCO)C(=O)O J1K 4-(2-hydroxyethylcarbamoyl)benzoic acid +CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C J1L 5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine +C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C J1M (2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3 J1N 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O J1O 4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid +CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C J1Q 1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide +CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1R (1r,19r) cobalt tetradehydrocorrin +CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C J1S (1s,19s) cobalt tetradehydrocorrin +COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2 J1T 4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3 J1V n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide +CCCCCCCCCCCCCC[C@H](C(=O)O)Br J1W 2-bromopalmitic acid +c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4 J1X 3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +c1csc2c1scc2 J1Z thieno[3,2-b]thiophene +COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC J20 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde +CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br J21 n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C J22 {(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol +CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4 J24 ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate +CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC J25 diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F J27 [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium +Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C J28 5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N J2A (2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N J2B o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate +c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl J2C 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3 J2D n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C J2E 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O J2G 4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid +Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6 J2H 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F J2I 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone +c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O J2J 5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F J2M n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N J2N (3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N J2O 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine +CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 J2P (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N J2Q ~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide +c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2 J2T n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine +c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O J2U (2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC J2V n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N J2W ~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide +c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O J2X (2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one +CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC J2Y n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O J2Z (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one +c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS J30 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol +c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J31 n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O J32 [(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate +c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl J33 6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one +c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J34 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid +CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O J35 (2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid +c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3 J36 parvine +c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br J37 n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid +C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO J38 (2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C J3A 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine +[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N J3B (3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide +Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C J3C (7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol +C([C@@H](C(=O)O)NC(=O)O)S J3D n-carboxy-l-cysteine +Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O J3E 7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4 J3F (5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione +CCCC(=O)OCC(COC(=O)CCC)O J3G 2-hydroxypropane-1,3-diyl dibutanoate +CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N J3H 1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one +[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N J3I (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide +CCCC(=O)OC(CO)CO J3J 1,3-dihydroxypropan-2-yl butanoate +C[C@H](CN)O J3K (2~{r})-1-azanylpropan-2-ol +CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O J3L (2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O J3M (2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid +CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N J3N 1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one +CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O J3P (2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O J3Q (2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-] J3R 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid +C(CCC(=O)N)C[C@@H](CCS)S J3S (6s)-6,8-disulfanyloctanamide +[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O J3T [4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate +C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O J3U (6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid +c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J3V 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O J3W methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate +c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br J3X 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5 J3Y [6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O J3Z (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC J40 [(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate +CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1 J41 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O J42 n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid +CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N J43 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide +c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J45 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide +c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br J46 4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br J47 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile +c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J48 cmbl3a +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N J49 (2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid +CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O J4A 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one +CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C J4B ~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide +Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4C (2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid +c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O J4D 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O J4E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl J4F 3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N J4G 3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate) +c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2 J4H cmbl4 +c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN J4J 2-[(2-nitrophenyl)sulfanyl]acetohydrazide +c1cc(ccc1OCc2[nH]nnn2)Cl J4K 5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole +Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C J4L 1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione +Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F J4M n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O J4N (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C J4O 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3 J4P (2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CS(=O)(=O)c1nccn1Cc2cscn2 J4Q 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole +Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C J4R 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3 J4S (2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C J4T [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 J4U (2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5 J4V (1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide +B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O J4W tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate +[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N J4X 6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl J4Y (1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide +Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3 J4Z n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl J50 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one +CC(=O)NC(=O)OCc1ccccc1 J51 benzyl acetylcarbamate +C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+] J52 dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O J53 (2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid +c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O J54 (2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid +c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N J55 1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide +c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br J56 (2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide +CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O J57 (~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid +c1cc2c(cc1N)c([nH]n2)Br J58 3-bromanyl-2~{h}-indazol-5-amine +c1cc(c(c2c1nccn2)Br)NC3=NCCN3 J59 brimonidine +CC(=O)NCc1cc(cs1)Br J5A n-[(4-bromothiophen-2-yl)methyl]acetamide +C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O J5B (3r)-3-hydroxybutyl alpha-d-glucopyranoside +Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C J5C oxymetazoline +Cc1cc(ccc1F)CNC(=O)C J5D n-[(4-fluoro-3-methylphenyl)methyl]acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O J5E (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4 J5F (1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide +Cc1cc(no1)NC(=O)C J5G n-(5-methyl-1,2-oxazol-3-yl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O J5H ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate +CC1=Cc2ccccc2NC1=O J5I 3-methyl-1,2-dihydroquinolin-2-one +Cc1cccc(c1)/C=N/C(=O)C J5J n-[(e)-(3-methylphenyl)methylidene]acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N J5K (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 J5L (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CC(=O)NCC#Cc1cccc(c1)C(F)(F)F J5M n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5N ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 J5P n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O J5Q (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O J5R 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid +Cc1ccc(cc1)/C=N/C(=O)C J5S n-[(e)-(4-methylphenyl)methylidene]acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F J5T ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(=O)NCC#Cc1ccccc1 J5V n-(3-phenylprop-2-yn-1-yl)acetamide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O J5W (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O J5X gibberellin a9 +Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl J5Y nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide +Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F J5Z 5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C J60 5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide +CC(=O)NNC(=O)c1ccccc1Cl J61 n'-acetyl-2-chlorobenzohydrazide +Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O J62 (2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol +CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3 J63 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione +CC(=O)NCc1ccc(s1)Cl J64 n-[(5-chlorothiophen-2-yl)methyl]acetamide +c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J67 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3 J6A (2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide +CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C J6B ~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide +CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C J6C miltiradiene +CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C J6D 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide +c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F J6E ~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide +c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl J6H (3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid +CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC J6J 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide +Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C J6K (3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid +CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C J6L 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one +Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl J6N (3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C J6P (5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C J6Q (3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-] J6S (3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N J6T 2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid +Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N J6V 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide +Cc1ccc2c(c1)cc(s2)CO J6W (5-methyl-1-benzothiophen-2-yl)methanol +CC[C@@H](C)S(=O)(=O)[O-] J6Z (2r)-butane-2-sulfonate +c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7 J70 pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone) +COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] J71 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F J72 (3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime +c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O J73 methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside +c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N J74 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-] J75 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide +CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O J76 (5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide +CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C J77 (methylpyridazine piperidine ethyloxyphenyl)ethylacetate +CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C J78 (methylpyridazine piperidine propyloxyphenyl)ethylacetate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C J79 (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid +c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O J7C 9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine +c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl J7G 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid +CCCCC[C@](C)(C(=O)O)N J7H (2~{r})-2-azanyl-2-methyl-heptanoic acid +c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO J7J n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea +O[Mo]1O[Mo](O1)(O)O J7N 2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane +O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O] J7Q tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum +COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl J7S 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O] J7T molybdate cluster +c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7U chromium-5,10,15,20-tetraphenylporphyrin +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O J7V 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp +c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J7X mn-5,10,15,20-tetraphenylporphyrin +CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC J7Z (2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate +CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C J80 (methylpyridazine piperidine butyloxyphenyl)ethylacetate +CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O J81 (5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name) +C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 J82 2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 J83 co-5,10,15,20-tetraphenylporphyrin +c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N J84 1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine +O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O] J85 [[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum +C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O J86 [(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid +COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4 J87 n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide +c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F J88 (3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime +CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N J89 (2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol +c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 J8A 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide +[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O] J8B molybdate cluster +CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C J8C 1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid +COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O J8D 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one +O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O] J8E oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8F 4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile +COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O J8G 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one +Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C J8H (3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid +CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8L 4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl J8N 4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide +CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8O 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile +CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N J8Q ~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide +CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N J8R 4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile +COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC J8S (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone +CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O J8T [(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate +CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N J8U 4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile +c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O J8V 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +C([C@@H](C(=O)O)N)OC(=O)CC(=O)O J8W (2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2 J8X (~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile +c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3 J8Y 2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide +Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J8Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate +c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N J90 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide +c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F J91 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid +COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N J92 methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate +CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N J93 4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile +C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C J94 (5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium +CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N J95 ~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide +c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 J96 n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid +c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O J97 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F J99 (10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one +C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N J9A n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine +c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N J9D 4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile +c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F J9E 4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide +c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O J9F (4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O J9G 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N J9H pentacoordinate pt(ii) compound +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2 J9K tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate +Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC J9L (5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one +c1cc(sc1)C2=NN=C(C2)N J9N 5-thiophen-2-yl-4~{h}-pyrazol-3-amine +CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl J9O 2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one +CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O J9P (11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid +c1ccc(c(c1)c2cnco2)N J9Q 2-(1,3-oxazol-5-yl)aniline +Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N J9R 4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide +COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9S n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1ccnc(c1)N J9T methyl 2-azanylpyridine-4-carboxylate +C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C J9U (8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4 J9V n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine +c1ccc2c(c1)C(=O)NC(=O)O2 J9W 1,3-benzoxazine-2,4-dione +CCNC(=O)C(=O)O J9X 2-(ethylamino)-2-oxidanylidene-ethanoic acid +CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N J9Y (2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate +c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 J9Z (2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate +CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-] JA1 5-hexyl-2-(4-nitrophenoxy)phenol +c1ccc2c(c1)[nH]c(n2)CCCCCN JA2 5-(1h-benzimidazol-2-yl)pentan-1-amine +CCc1cc(c(cc1F)Oc2cccnc2F)O JA3 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol +COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4 JA4 n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine +COC(=O)c1cc2cc(sc2[nH]1)CO JA5 methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O JA7 5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid +c1cc2c(cc1Br)nc(s2)N JA8 5-bromanyl-1,3-benzothiazol-2-amine +CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl JA9 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O JAA {(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid +c1cnoc1C(=S)N JAB 1,2-oxazole-5-carbothioamide +c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4 JAC 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone +Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O JAD 2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile +c1cc2c(cc1N)scn2 JAE 1,3-benzothiazol-6-amine +Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O JAF n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide +CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F JAG 2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one +c1ccc(cc1)c2ccc(cn2)CN JAH (6-phenylpyridin-3-yl)methanamine +CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O JAI n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine +c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O JAJ 4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid +Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3 JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine +c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O JAL 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N JAN 6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one +CCCCCCCCCCCCCCC[C@H](C)CO JAO (2s)-2-methylheptadecan-1-ol +C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4 JAR 6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC JAS jaspisamide a +c1cc(ccc1CCN)S(=O)(=O)O JAT 4-(2-azanylethyl)benzenesulfonic acid +CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl JAU 5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3 JAV 4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide +c1cc2c(cc[nH]2)cc1C(=O)N JAW 1~{h}-indole-5-carboxamide +C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2 JAX (e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid +c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F JAY (2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O JAZ 6-phosphocyclophellitol +CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JB1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N JB2 gdp-perosamine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C JB3 gdp-n-acetylperosamine +c1cc2c(cc1N)nccn2 JB5 quinoxalin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N JB6 (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol +CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br JB7 n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid +B(c1ccc2cc[nH]c2c1)(O)O JB8 1~{h}-indol-6-ylboronic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O JB9 ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide +C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C JBA (2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide +c1cc(cc(c1)C(=O)O)CSc2cccs2 JBB 3-(thiophen-2-ylsulfanylmethyl)benzoic acid +c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O JBC 5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid +c1cc(c(nc1)N)[N+](=O)[O-] JBE 3-nitropyridin-2-amine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F JBF 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid +CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl JBG n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine +c1ccc2c(c1)C(NC=N2)O JBH 3,4-dihydroquinazolin-4-ol +COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5 JBI 9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine +c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6 JBJ (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1cc(c(c(c1)O)N)[N+](=O)[O-] JBK 2-azanyl-3-nitro-phenol +c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O JBL 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid +c1cnoc1C(=O)N JBN 1,2-oxazole-5-carboxamide +Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F JBO 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid +c1cc2c(c(c1)F)C(NC=N2)O JBQ 5-fluoranyl-3,4-dihydroquinazolin-4-ol +c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O JBR 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid +Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6 JBS 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O JBT gdp-n-acetylperosamine-coenzyme a +C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O JBU (4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid +Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N JBW 5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide +C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN JBY (2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid +COc1ccc2c(c1)sc(n2)C(=O)O JBZ 6-methoxy-1,3-benzothiazole-2-carboxylic acid +CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C JC1 (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O JC2 (2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid +CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4 JC3 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one +c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O JC4 2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid +COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN JC5 [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O JC6 steviolbioside +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O JC7 n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide +c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JC8 6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide +CN[C@@]1(CCCCC1=O)c2ccccc2Cl JC9 (2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one +Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3 JCB n-(p-toluenesulfonyl)-indole +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O JCD 2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N JCE 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine +Cc1ccc2cc(cc(c2n1)O)C(=O)N JCF 8-hydroxy-2-methylquinoline-6-carboxamide +C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C JCG (2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide +COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JCH 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5 JCK 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl JCL 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate +COc1cccc(c1)COC(=O)c2c[nH]nc2 JCQ (3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate +c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 JCT biotinylated ruthenium cyclopentadienide +c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4 JCW 2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide +C[C@H](c1ccccc1)[C@@H](C(=O)O)N JCX (2s,3r)-2-azanyl-3-phenyl-butanoic acid +Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F JCY 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine +c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N JCZ 3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine +CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O JD1 [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD2 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N JD3 (2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid +c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 JD5 [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) +c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3 JD7 4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile +CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JD8 5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O JDB 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O JDC (3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide +CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4 JDD n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide +COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3 JDE (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O JDF steviol-19-o-glucoside +CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5 JDG 2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine +CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JDH 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO JDJ 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5 JDK 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO JDM 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +B(c1ccc2c(c1)cc[nH]2)(O)O JDN 1~{h}-indol-5-ylboronic acid +C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O JDO rebaudioside d +Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N JDP 1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide +c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JDQ 3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine +CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N JDR 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide +c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O JDS 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol +CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JDT 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDV (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC JDX 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7 JDY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate +C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC JE0 (5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN JE1 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one +Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C JE2 (4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide +C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC JE3 (5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one +CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N JE4 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4 JE6 ~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide +c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N JE7 5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine +CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JE8 5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO JE9 3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate +C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N JEA 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JEB 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O JED 3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5 JEE 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N JEF o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500) +C1C(CC1(C(=O)O)N)C(=O)O JEG trans-1-aminocyclobutane-1,3-dicarboxylic acid +CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEH 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C JEJ 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one +c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5 JEK 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC JEN 3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine +C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C JEO (3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione +c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N JEQ 5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4 JER (2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol +COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2 JET [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate +CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO JEU 5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile +CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 JEV n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide +c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N JEW 2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F JEX 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole +CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC JEY n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide +Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4 JF0 1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-( +C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C JF1 (1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C JF2 (1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium +C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C JF4 (3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium +c1ccc(cc1)COC(=O)c2c[nH]nc2 JF5 (phenylmethyl) 1~{h}-pyrazole-4-carboxylate +c1ccc(cc1)c2c(non2)N JF6 4-phenyl-1,2,5-oxadiazol-3-amine +c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N JF8 5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile +c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4 JF9 n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide +c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl JFA 1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one +c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N JFB 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +C1(=C(NC(=O)NC1=O)N)Br JFD 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione +COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N JFE 3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5 JFH 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine +CNCc1cccc(c1)Cl JFJ 1-(3-chlorophenyl)-n-methylmethanamine +COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5 JFK (1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one +CS(=O)(=O)NCCc1ccccc1 JFM n-(2-phenylethyl)methanesulfonamide +C[C@H](COC)N JFN (2r)-1-methoxypropan-2-amine +CCC(=O)Nc1nc(cs1)C JFP n-(4-methyl-1,3-thiazol-2-yl)propanamide +C1CC(CCC1N)NCCCN JFQ trans-n-(3-aminopropyl)cyclohexane-1,4-diamine +c1ccc2c(c1)ncn2c3ccc(cc3)CO JFS [4-(1h-benzimidazol-1-yl)phenyl]methanol +c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl JFT 3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COC(=O)c1ccccc1Oc2ccc(cc2)N JFV methyl 2-(4-aminophenoxy)benzoate +Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF JFX 4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide +CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C JFY n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O JFZ 4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside +c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3 JG1 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one +c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O JG2 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol +c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N JG3 1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline +c1cc(sc1)c2[nH]ccn2 JG4 2-(thiophen-2-yl)-1h-imidazole +CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1 JG5 (2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC JG7 (2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c3c(o2)C(=O)NC=N3 JG8 benzofuro[3,2-d]pyrimidin-4(3h)-one +CCNC(=O)Nc1cc(on1)C JGA n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O JGB (~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide +CN(C)c1ccncc1 JGD n,n-dimethylpyridin-4-amine +C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O JGE (r)-ketoprofen +c1cc(ccc1CNC(=O)N2CCOCC2)C#N JGG n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide +[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] JGH 1:2 ce-substituted keggin +C[C@H](c1ccccc1)NC(=O)COC JGJ 2-methoxy-n-[(1r)-1-phenylethyl]acetamide +CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C JGK ~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN JGM {n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide +Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C JGN [(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol +c1cc2c(cc1C(=O)N3CCCCCC3)OCO2 JGP (azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone +CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C JGQ 4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O JGS 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid +Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br JGT ~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine +c1cc2c(cc1C(=O)N3CCOCC3)NNS2 JGV (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JGW 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one +Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2 JGY 1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide +Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N JGZ 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide +CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O JH0 6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester +CCn1cc(cn1)C(=O)NCc2ccc(cc2)F JH1 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide +CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C JH2 methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C JH3 methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate +CNc1ncccn1 JH4 n-methylpyrimidin-2-amine +c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3 JH5 1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium +CN1C(=CC(=O)N1)Nc2ccccc2 JH7 1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4 JH8 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide +CC1CCN(CC1)c2ccc(cc2Cl)N JHA 3-chloro-4-(4-methylpiperidin-1-yl)aniline +CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHB 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one +CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl JHC [(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +COc1ccc(cc1OC)CN JHD 1-(3,4-dimethoxyphenyl)methanamine +CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F JHE 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one +c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N JHG 4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C JHH cyclostreptin +COc1ccc(cc1)NC(=O)Nc2ccncc2 JHJ n-(4-methoxyphenyl)-n'-pyridin-4-ylurea +CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4 JHK ~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide +C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O JHM 2-deoxy-6-o-sulfo-alpha-d-glucopyranose +c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2 JHN (3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione +Cn1cc(c(n1)C(=O)NC2CCCC2)Cl JHP 4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide +CC(=O)NCC1(CCOCC1)c2ccccc2 JHS n-[(4-phenyloxan-4-yl)methyl]acetamide +CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N JHT 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine +c1cc(c(cc1Cl)N)Nc2ccncc2 JHV 4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine +c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5 JHW 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one +c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O JHY 3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid +C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N JHZ (2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO JI1 3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol +c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN JI2 n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl JI3 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F JI4 n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F JI5 n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl JI7 n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O JIA (2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol +c1c(cc(c(c1F)F)F)O JIF 3,4,5-tris(fluoranyl)phenol +c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O JIL 9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine +CC(=O)OC[C@@H](CO)O JIM (2r)-2,3-dihydroxypropyl acetate +Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C JIN 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO JJ1 n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide +CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O JJ2 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one +COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O JJ3 (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol +Cc1cnc(s1)NC(=O)CCC2CCCC2 JJ4 3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide +c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl JJ5 1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one +CC(=O)N1CCC(CC1)NCCOC JJ7 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one +c1cc(c(cc1Cn2ccnc2)Cl)Cl JJ8 1-[(3,4-dichlorophenyl)methyl]imidazole +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4 JJA n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4 JJB n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C JJD 2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid +CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO JJE ~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide +c1ccc(cc1)SCCN2CCOCC2 JJG 4-[2-(phenylsulfanyl)ethyl]morpholine +c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O JJH cadazolid +c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N JJJ s-(pyridin-3-ylcarbonyl)-l-cysteine +c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJK s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine +COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N JJL s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine +Cc1cccc(c1)Nc2c3cnn(c3ncn2)C JJM 1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3 JJN (6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O JJP (2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C JJQ (3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C JJS 5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile +C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O JJT (2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid +CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N JJV (6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile +CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JJW (2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N JJX (4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile +c1c2c(nc3c1C(=O)CCC3)CCCC2=O JJY 3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione +c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl JJZ 4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4 JK1 3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F JK2 3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide +C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br JK3 5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F JK4 6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F JK5 6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4 JK7 n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide +c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl JK8 (2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine +CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O JKA (1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol +c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F JKB (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone +c1ccc(c(c1)C(=O)O)S JKE 2-sulfanylbenzoic acid +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC JKF 6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one +c1cc(sc1)CNCc2ccc(cc2)O JKG 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol +C1[C@@H](CN[C@@H]1C(=O)O)[NH3+] JKH 4-amino-proline +COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O JKJ (1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +c1cc(cc(c1)Cl)CNCCS(=O)(=O)O JKK 2-[(3-chlorobenzyl)amino]ethanesulfonic acid +C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O JKM 1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione +CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O JKN 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one +c1c(cc(nc1Cl)Cl)C(=O)O JKP 2,6-dichloropyridine-4-carboxylic acid +CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JKQ (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid +c1cc(ncc1N2CCCC2)C#N JKS 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile +CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O JKT tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate +c1cc(ccc1c2cc([nH]n2)N)Cl JKV 3-(4-chlorophenyl)-1h-pyrazol-5-amine +CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F JKW 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one +CS(=O)(=O)NCc1ccc(cc1)Cl JKY n-[(4-chlorophenyl)methyl]methanesulfonamide +C1CC2=C(C1)NC(=O)C=C2C(F)(F)F JKZ 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one +Cc1ccc(cc1)Sc2c(cccn2)C(=O)O JL1 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid +COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N JL2 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile +Cc1nc(cs1)c2ccc(s2)C(=O)O JL4 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C JL5 (2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F JL7 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O JL8 (2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 JL9 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(ccc1C(=O)O)N2CCCCC2 JLA 4-(piperidin-1-yl)benzoic acid +CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 JLB (2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid +CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F JLD [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5 JLE (2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(sc1)c2nc(cs2)C(=O)O JLG 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid +CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C JLH (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid +CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C JLJ 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C JLK (2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +Cc1c2ccccc2oc1C(=O)O JLM 3-methyl-1-benzofuran-2-carboxylic acid +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O JLN 5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2 JLO (2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal +Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O JLP (2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O JLS (15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide +C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O JLT 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol +CNC(=S)NC1CCCCC1 JLV n-cyclohexyl-n'-methylthiourea +Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C JLW 3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide +COc1ccc(cc1)C2=NCCc3c2ccs3 JLY 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine +[H]/N=C(/c1ccc(c(c1)F)C)\N JLZ 3-fluoro-4-methylbenzenecarboximidamide +c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+] JM1 fluorinated pyridocarbazole cyclopentadienyl ru(co) complex +[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N JM2 n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N JM4 n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine +[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N JM5 n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N JM6 n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine +[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N JM7 n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine +[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N JM8 n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine +c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO JMA 4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol +CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 JMB (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium +CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N JMC [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +c1cc(ccc1CCO)C#N JMD 4-(2-hydroxyethyl)benzonitrile +c1ccc(cc1)c2ccc(s2)C(=O)O JMG 5-phenylthiophene-2-carboxylic acid +[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O JMH 3-methylcytidine- 5'-monophosphate +CSc1nnc(s1)NC(=O)c2ccco2 JMJ n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4 JMK 2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone +Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C JMN (3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol +CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O JMP 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid +c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O JMQ 7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one +Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl JMS 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid +c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O JMT 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +c1cc(cc(c1)Cl)OCC(=O)O JMV (3-chlorophenoxy)acetic acid +c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl JMW 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol +CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO JMY 1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one +c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N JMZ 6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine +c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3 JN1 (6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione +c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F JN2 3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C JN3 chenodeoxycholic acid +C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1 JN4 ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4 JN5 (2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile +C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN7 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate +CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1 JN8 cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate +c1ccc(cc1)S(=O)(=O)NCc2cccs2 JNA n-[(thiophen-2-yl)methyl]benzenesulfonamide +c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O JNB ~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide +CCc1cc2c(s1)N=CNC2=O JND 6-ethylthieno[2,3-d]pyrimidin-4(3h)-one +Cc1cccc(n1)NCc2ccccc2 JNE 6-methyl-~{n}-(phenylmethyl)pyridin-2-amine +C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4 JNF n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine +c1cc(ccc1SCC(=O)O)Cl JNG [(4-chlorophenyl)sulfanyl]acetic acid +c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N JNH 1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile +c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N JNI ~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine +CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N JNJ 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide +COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F JNK n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide +CCCc1ccc(c(c1O)C(=O)C)O JNM 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one +c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl JNN 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide +CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4 JNO 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide +CC1(CC(=O)c2ccc(cc2O1)O)C JNP 7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one +c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3 JNS 5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N JNT [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate +CC(=O)Cc1ccc(c(c1)Cl)Cl JNV 1-(3,4-dichlorophenyl)propan-2-one +c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O JNW 2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid +CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F JNY 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile +c1ccc2c(c1)c(n[nH]2)N JNZ 1h-indazol-3-amine +Cn1c(ccn1)C(=O)NCc2cccs2 JO1 1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO2 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid +CC(CC(=O)O)C(=O)O JO3 (2r)-2-methylbutanedioic acid +c1ccc(cc1)Oc2ccc(cc2)C(=O)O JO4 4-phenoxybenzoic acid +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JO5 4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C JO7 (1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol +c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O JO8 3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid +CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC JOA (1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane +c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOB 5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione +C1CC2(CCC1N3[C@H]2COC3=O)O JOD (5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one +c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O JOE 2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid +c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O JOG (1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide +c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O JOH 2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione +c1nc(c(n1CC(=S)N)Cl)Cl JOJ 2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide +c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O JOK ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide +c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2 JOM 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione +C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O JON [(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O JOP n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea +c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O JOQ [4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +CS(=O)(=O)Nc1ccc(cc1C(=O)O)F JOR 5-fluoranyl-2-(methylsulfonylamino)benzoic acid +C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O JOS (2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate +c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O JOT ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide +CC(C)(CO)NC(=O)c1cccc(c1)Cl JOV 3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide +c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O JOW 4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid +c1cnn(c1)Cc2ccc(cc2)C#N JOY 4-[(1h-pyrazol-1-yl)methyl]benzonitrile +c1ccc2c(c1)CCNC2=O JOZ 3,4-dihydroisoquinolin-1(2h)-one +c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl JP1 n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide +c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O JP2 2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid +c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N JP3 2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide +c1ccc(c(c1)CO)N2CCOCC2 JP4 [2-(morpholin-4-yl)phenyl]methanol +c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O JP5 (phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate +COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3 JP7 (6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O JP8 [(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPA 4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol +c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl JPB ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide +CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl JPC 3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid +CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O JPD methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate +c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N JPE [(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +CC(=O)c1ccccc1Oc2ccccc2 JPG 1-(2-phenoxyphenyl)ethan-1-one +CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4 JPH 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one +c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPJ 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol +Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O JPK 2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide +c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl JPL 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPM 5-benzyl-2-(2,4-dichlorophenoxy)phenol +c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl JPN 2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O JPP piperacillin (open form) +CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C JPQ ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide +Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C JPR 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea +c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3 JPS (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +c1cscc1CC2=C(C(=O)C=C(O2)CO)O JPT 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O JPV (2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N JPW (4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate +CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4 JPY n-(pyren-1-ylmethyl)acetamide +c1ccc2c(c1)C(=O)N=CN2 JPZ quinazolin-4(1h)-one +Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C JQ1 (6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium +CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C JQ2 3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O JQ4 (1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol +CCOP(=O)(C(=O)CCC(=O)O)O JQ5 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid +c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O JQ7 2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide +c1ccc(cc1)C#CC(=O)O JQ8 phenylpropiolic acid +c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O JQA (4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one +c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N JQB 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile +COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3 JQD (6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one +c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O JQE 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid +CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 JQF 3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide +CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O JQG (2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JQH prfmn cofactor and phenylpropiolic acid adduct +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C JQK [(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate +Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 JQN 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C JQP n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C JQQ [(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O JQS 5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid +Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N JQT (2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid +C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC JQV mycalolide b +c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl JQW 4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine +Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F JQY n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine +CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O JQZ prfmn cofactor and phenylpropiolic acid +c1c[nH]c2c1c(nc(n2)N)N3CCCC3 JR2 4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C JR3 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide +Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C JR4 ~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide +Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F JR5 (2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide +Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC JR6 2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide +CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl JR7 n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide +CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C JR8 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide +c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5 JR9 n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine +Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O JRA 3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +c1ccc(c(c1)N)N2CCNCC2 JRB 2-piperazin-1-yl-aniline +CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3 JRD n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide +C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O JRE 6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide +CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O JRG n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRH prfmn cofactor and crotonic acid adduct +c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JRK prfmn cofactor and butynoic acid adduct +CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2 JRM methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate +Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C JRN prfmn cofactor and pentafluorocinnamic acid adduct +CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O JRO 6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one +CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C JRQ ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRR 6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F JRS 6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3 JRT 2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O JRV methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside +Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C JRW (1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CCCCCCNC(=O)O JRY hexylcarbamic acid +Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O JRZ (2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol +CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3 JS1 ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate +C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1 JS2 5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d- ribofuranose +Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2 JS3 2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N JS4 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS5 (2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N JS6 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] JS7 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide +CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O JSA 5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine +CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O JSB (1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSC [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSD [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C JSE [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC JSG (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C JSH prfmn cofactor and cinnamic acid adduct +CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C JSJ 5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine +[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O JSK (2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol +CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F JSN (6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide +CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O JSP (1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N JSQ 2-fluoro-atp +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSR 6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F JSS 6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl JST but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JSV methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside +Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F JSW [(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone +c1cc(cc(c1)C(=O)O)c2ccc(cc2)O JSX 3-(4-hydroxyphenyl)benzoic acid +CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C JSZ ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate +COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl JT0 2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide +c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6 JT1 (2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide +[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N JT2 4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO JT5 n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide +c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO JT6 3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide +B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O JT7 n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide +c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O JT8 (3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione +c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O JTA 4-hydroxy-8-nitroquinoline-3-carboxylic acid +c1cc(c(cc1Cl)c2cn[nH]n2)O JTB 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTD n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C JTE (2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid +CC1=Cc2cccc(c2NC1=O)NCCN(C)C JTF 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTG n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +CC(C)C1=CC=C(C(=O)C(=C1)O)O JTH 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTJ n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide +C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O JTK (2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTM n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl JTN 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid +CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3 JTP n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine +Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N JTQ 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine +Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2 JTS 4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2 JTT 2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide +CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C JTU 6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JTV n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide +c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl JTW 4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide +c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O JTY 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid +CC(C)NC[C@@H](COc1ccccc1CC=C)O JTZ (2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU1 n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N JU2 2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JU4 n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5 JU5 ~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O JU7 6-cyclohexylhexyl beta-d-glucopyranoside +Cn1cc(c2c1cccc2)c3cncnc3N JU8 5-(1-methylindol-3-yl)pyrimidin-4-amine +c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6 JUB [7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O JUD n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide +CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3 JUE ~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide +c1cc2c(c(c1)O)C(=O)C=CC2=O JUG 5-hydroxynaphthalene-1,4-dione +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3 JUH (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide +c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N JUJ 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N JUK 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium +c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4 JUM 1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one +CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C JUN (2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide +c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N JUO 2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C JUP 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5 JUQ (1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N JUS 2-(2-cyanophenoxy)-5-hexylphenol +c1cc(c(cc1c2csc(n2)N)F)F JUT 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine +c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O JUV (2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +Cn1cc(c2c1cccc2)c3ccnc(n3)N JUW 4-(1-methylindol-3-yl)pyrimidin-2-amine +c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O JUY (2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O JUZ 1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea +CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C JV0 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine +c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3 JV1 (~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one +CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O JV2 1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F JV4 6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose +Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3 JV5 ~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide +Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 JV8 ~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O JVA 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol +Cc1ccccc1OCC(=O)Nc2cccnc2 JVB 2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide +C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2 JVD n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide +c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F JVE (4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one +c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O JVH 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5 JVJ 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine +CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl JVK (2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid +c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5 JVM 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine +c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O JVN (1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol +c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F JVP 5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide +CCN1Cc2cc3c(cc2NCCC1=O)OCO3 JVQ 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O JVS 1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3 JVT n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide +Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4 JVY n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide +c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O JVZ (2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol +B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O JW1 {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid +c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2 JW2 ~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide +B(c1cccc(c1)C(=O)NCc2ccco2)(O)O JW3 (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid +Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2 JW4 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO JW5 6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4 JW7 5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O JW8 {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid +C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O JW9 4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C JWA n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide +C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O JWB 2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid +Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C JWD 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline +c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F JWE 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine +CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl JWF 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCCCCCCC(=O)Nc1ccccc1C(=O)O JWH 2-(octanoylamino)benzoic acid +CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O JWK 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C JWM n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C JWN 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide +CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2 JWP n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F JWQ (~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide +COc1ccc(c(c1)c2nc(nc(n2)N)N)O JWS 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F JWT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide +COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO JWV n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide +CCCCCCCc1c(c(c2ccccc2n1)O)O JWW 2-heptylquinoline-3,4-diol +C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4 JWX (1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine +CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC JWY n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea +[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O JWZ 4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide +Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC JX1 n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide +COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 JX2 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide +Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5 JX4 6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine +c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I JX5 (2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid +[H]/N=C(/N)\NCCCC(=O)C(=O)O JX7 5-carbamimidamido-2-oxopentanoic acid +c1cc2c(ccc(c2nc1)O)c3[nH]nnn3 JX8 5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol +c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O JXA (2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol +c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N JXB 9-(4-azidobutyl)-8-bromanyl-purin-6-amine +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C JXD 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose +c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N JXE 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine +CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O JXG (2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide +c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N JXH 8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine +c1nc(c2c(n1)n(c(n2)Br)CCCN)N JXK 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine +c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O JXM (8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +CCn1c2c(c(ncn2)N)nc1Br JXN 8-bromanyl-9-ethyl-purin-6-amine +c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl JXP 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCCn1cnc2c1ncnc2N JXQ 9-hex-5-ynylpurin-6-amine +Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N JXS 7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C#CCCCn1c2c(c(ncn2)N)nc1Br JXT 8-bromanyl-9-pent-4-ynyl-purin-6-amine +c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O JXV (1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol +Cc1nc2c(ncnc2n1CCCl)N JXW 9-(2-chloroethyl)-8-methyl-purin-6-amine +Cc1nc2c(ncnc2n1CCO)N JXZ 2-(6-azanyl-8-methyl-purin-9-yl)ethanol +C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C JY 3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol +CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O JY1 bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium +Cc1nc2c(ncnc2n1CCCC#C)N JY2 8-methyl-9-pent-4-ynyl-purin-6-amine +Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC JY4 7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline +c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N JY5 3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol +Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F JY7 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline +CCn1c(nc2c1ncnc2N)C JY8 9-ethyl-8-methyl-purin-6-amine +CCn1c(nc2c1ncnc2N)C#C JYB 9-ethyl-8-ethynyl-purin-6-amine +C([C@@H](C(=O)O)S)C(=O)O JYD (2s)-2-sulfanylbutanedioic acid +c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N JYE 9-(3-azidopropyl)-8-bromanyl-purin-6-amine +C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1 JYG 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one +c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O JYH 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid +CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C JYI 3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid +c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4 JYJ {4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone +c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N JYK 9-(2-azidoethyl)-8-bromanyl-purin-6-amine +C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N JYM 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine +c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N JYN 9-(4-azidobutyl)purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N JYP adenophostin a +CC(=O)SCCCCn1cnc2c1ncnc2N JYQ ~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br JYS 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione +c1nc(c2c(n1)n(c(n2)Br)CCCO)N JYT 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol +CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC JYV (2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile +c1nc(c2c(n1)n(c(n2)Br)CCCCO)N JYW 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol +COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO JYY 4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O JYZ (~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccccc1O JZ0 o-cresol +CCc1ccccc1O JZ1 2-ethylphenol +Cc1ccc(cc1O)Cl JZ2 5-chloro-2-methylphenol +COc1ccccc1O JZ3 guaiacol +CCCc1ccccc1O JZ4 2-propylphenol +c1cc(sc1)/C=N\O JZ5 (nz)-n-(thiophen-2-ylmethylidene)hydroxylamine +c1c(cn[nH]1)Cl JZ6 4-chloro-1h-pyrazole +CCO[C@@H]1CCC=CO1 JZ7 (2s)-2-ethoxy-3,4-dihydro-2h-pyran +Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3 JZ8 5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium +c1c[nH]c2c1CCCC2 JZ9 4,5,6,7-tetrahydro-1h-indole +C1COCCN1C(=O)N2CCS2(=O)=O JZA 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine +c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O JZB (5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O JZC (5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime] +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZD 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl JZE 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid +CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O JZF ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate +Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O JZG 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid +c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O JZH (3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one +c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2 JZI (2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid +c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br JZJ (3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline +c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl JZK 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide +c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl JZL 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide +c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N JZM 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O JZN 1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide +CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4 JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZP (4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C JZQ (4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O JZR hexyl beta-d-glucopyranoside +Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O JZS n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide +CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C JZT (2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N JZU 5'-deoxy-5'-(sulfamoylamino)adenosine +C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F JZV methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5 JZW [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol +CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5 JZX 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine +Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C JZY 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine +CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC JZZ 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one +[K+] K potassium ion +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O K00 (2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2 K01 n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C K02 (5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C K03 n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2 K04 (2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) +COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O K05 (e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide +CN(C[C@H]1CCOC1)c2c(cncn2)Cl K07 5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine +CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4 K08 5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4 K09 5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole +Cc1c(nc(s1)C)C(=O)N2CCCC2 K0A (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone +c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7 K0B ~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine +C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2 K0D [(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone +c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6 K0E ~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine +c1ccc(cc1)NC(=O)Nc2cccnc2 K0G n-phenyl-n'-pyridin-3-ylurea +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0H methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O K0I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +CCNC(=O)c1c[nH]nn1 K0J n-ethyl-1h-1,2,3-triazole-4-carboxamide +CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 K0K 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid +Cc1cc(cc(c1OCC(=O)O)C)N K0L (4-amino-2,6-dimethylphenoxy)acetic acid +Cc1cc(on1)C(=O)Nc2ccn(n2)C K0M 3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide +CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N K0N (~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +CCn1cc(cn1)CNC(=O)c2cccnc2 K0P n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide +c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O K0Q ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide +CCCc1nnc(s1)NC(=O)c2ccccn2 K0S n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C K0T (2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid +CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC K0V methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate +[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K0W [(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate +c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F K0X (7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide +Cc1cc(no1)C(=O)NCC(=O)OC K0Y methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate +COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br K0Z (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide +Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C K10 1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F K11 n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine +C(CCCCCCOP(=O)(O)O)CCCCCO K12 12-hydroxydodecyl dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N K13 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K14 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate +CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O K15 5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine +c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K17 4,5,6,7-tetrabromo-benzimidazole +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 K19 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +Cc1c(c(on1)C)CN2C(=O)SC(=N2)C K1A 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one +c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O K1B (~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide +c1[nH]c2c(n1)c(ncn2)N3CCC3 K1D 6-(azetidin-1-yl)-9h-purine +Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N K1E methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate +CC(C)N(C)c1c2cnn(c2ncn1)C K1G n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N K1H methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate +Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C K1J (2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6 K1N (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid +Cc1nc(sn1)N2CCCNCC2 K1P 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC K1Q 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide +C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N K1R (2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid +CCN(CC)c1cc(nc2n1ncn2)C K1S n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN K1T 5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2 K1U (3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid +CC(=O)N1CCC[C@H](C1)C(=O)N K1V (3r)-1-acetylpiperidine-3-carboxamide +c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N K1W 4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +Cc1nc(c(s1)NC(=O)OC)c2ccccc2 K1Y methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N K1Z [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K20 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate +COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4 K21 4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine +c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2 K22 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione +c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl K23 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid +Cc1ncc(s1)C(=O)NC K24 n,2-dimethyl-1,3-thiazole-5-carboxamide +CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K25 4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C K26 n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N K27 4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K28 [(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate +c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O K29 (3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO K2A (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C K2B (8alpha,9beta)-cholest-4-en-3-one +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 K2C 6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC K2D (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate +CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 K2E (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate +CC(C)c1ncc(c(n1)C(=O)N)Cl K2G 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide +CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O K2H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CNc1nccc(n1)OC K2J 4-methoxy-n-methylpyrimidin-2-amine +c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K2K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide +CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3 K2N ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate +c1ccc(c(c1)C(=O)O)OC(F)(F)F K2P 2-(trifluoromethoxy)benzoic acid +C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O K2Q (1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid +c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O K2R 3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid +Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C K2S n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide +Cc1ccc2c(c1)sc(n2)N K2T 6-methyl-1,3-benzothiazol-2-amine +c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2 K2U (3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid +C[C@H](c1ccc(cc1)c2cncnc2)N K2V (1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K2W (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol +c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K2Y (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate +CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 K2Z benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate +C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F K30 (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +Cc1c(c(n[nH]1)C)c2ccccc2N K31 2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline +c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2 K32 4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one +CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O K33 2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose +c1csc(n1)c2[nH]ncn2 K34 5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole +CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO K35 ~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2 K36 (1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br K37 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K38 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol +Cc1cc(n[nH]1)NC(=O)C K3A n-(5-methyl-1h-pyrazol-3-yl)acetamide +c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N K3B (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol +CCNC(=O)N1CCN(CC1)C(=O)C K3D 4-acetyl-n-ethylpiperazine-1-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N K3E (2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol +O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8 K3G phosphomolybdate keggin +CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O K3H (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol +CCNc1ccc(nn1)C K3J n-ethyl-6-methylpyridazin-3-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N K3K (2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +Cc1ccc(c(c1)F)C(=O)N K3M 2-fluoro-4-methylbenzamide +CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4 K3N 3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide +Cn1cc(cn1)Oc2c(cncn2)Cl K3P 5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine +COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O K3Q 3,6-o-dimethyl-d-glucose +CCNCc1cn(nn1)C K3S n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine +c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3 K3T 3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide +c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2 K3U s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate +COc1ccc2c(c1OC)C(=O)NN=C2 K3V 7,8-dimethoxyphthalazin-1(2h)-one +CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC K3W 3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide +Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N K3Y 1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide +COc1ccc(cc1)/C=C/C(=O)O K3Z (e)-3-(4-methoxyphenyl)acrylic acid +CC(C)C(=O)Nc1nnn(n1)C K41 2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide +c1cc(ccc1O)OCCN K42 4-(2-azanylethoxy)phenol +C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br K44 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole +CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N K45 4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C K47 [(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone +[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide +CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C K4A 1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one +c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N K4B 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide +c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F K4D flecainide +COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl K4E n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide +CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C K4F 4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide +CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O K4G 3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide +c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N K4H 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide +B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4J (4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid +c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O K4K (3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide +B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O K4M (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid +c1cc(ccc1O)S(=O)(=O)N K4N 4-oxidanylbenzenesulfonamide +B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O K4P 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide +CCCCCCCC(=O)OC[C@@H](C=O)N K4Q [(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate +B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O K4S (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid +Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3 K4T ~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(=O)Oc1ccc(cc1)[N+](=O)[O-] K4V 4-nitrophenyl acetate +CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O K4W 4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol +COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N K4Y 4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+] K4Z 3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium +CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N K51 4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile +C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K52 ~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5 K53 (5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5 K54 (5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide +CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O K55 (2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O K56 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one +Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O K57 (4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide +C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3 K58 4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N K5A 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide +C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O K5B 4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N K5C 4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide +c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O K5D 2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2 K5E (4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione +c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O K5G 4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide +C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O K5H (2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O K5J 4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl K5K 2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid +C([C@H](C(=O)O)N)OC(=O)CC(=O)O K5L (2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid +CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O K5M 4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide +C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 K5N 2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide +CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC K5P (3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid +c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O K5Q (2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5 K5S [(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N K5T (2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid +c1cc(cc(c1)O)N K5V 3-aminophenol +c1cc(c(c(c1)S(=O)(=O)N)F)F K5W 2,3-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O K5Y salmeterol +[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5 K60 5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5 K62 (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide +Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C K64 3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide +[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N K65 ~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide +CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K66 [4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid +CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C K67 n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) +c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br K68 (4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid +[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N K6B 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O K6G [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate +C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl K6H (2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid +CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC K6K 3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F K6M n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide +[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N K6N 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide +CC(C)(C)NCCCNC(=O)c1cccc(c1)I K6P n-[3-(tert-butylamino)propyl]-3-iodobenzamide +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F K6Q 4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine +CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C K6S n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide +[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N K6T 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide +CCCC(=O)N[C@@H](C)CO K6V n-[(2s)-1-hydroxypropan-2-yl]butanamide +[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N K6W 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide +c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br K6X 3,4,5,6,7-pentabromo-1h-indazole +Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O K6Y (5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide +[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N K6Z 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide +c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO K70 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium +CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O K71 3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid +C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F K72 1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N K73 (2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide +CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br K74 n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide +CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC K75 (8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F K76 (2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one +CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2 K78 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol +c1c(nc(c(n1)C(=O)O)C(=O)O)O K7A 5-hydroxypyrazine-2,3-dicarboxylic acid +c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O K7D 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid +S[Cu]S([Cu])([Cu])[Cu] K7E sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper +Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N K7F 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide +c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2 K7G thiapronil +CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N K7H ~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine +C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O K7I l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide +C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O K7J n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide +CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O K7K 2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal +C[C@H](Cc1ccccc1)NO K7M (2r)-n-hydroxy-1-phenylpropan-2-amine +[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N K7Q ~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide +Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F K7S n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O K7V neo-inositol pentakisphosphate +CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl K7Z (2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid +Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O K80 (2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol +Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F K81 n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide +CCCOc1ccc(cc1Cl)CN K82 1-(3-chloro-4-propoxyphenyl)methanamine +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC K83 3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide +CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2 K84 (9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one +CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F K85 propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate +CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC K86 4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide +Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C K87 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide +CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2 K88 (3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide +c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F K89 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide +c1c(cncc1Br)c2n[nH]nn2 K8A 3-bromo-5-(2h-tetrazol-5-yl)pyridine +C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C K8B 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine +CNc1ccc(c(c1)C(=O)O)C(=O)O K8D 4-(methylamino)benzene-1,2-dicarboxylic acid +c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O K8G 4-nitrobenzene-1,2-dicarboxylic acid +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O K8H (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol +c1cc(c(cc1F)C(=O)O)C(=O)O K8J 4-fluorobenzene-1,2-dicarboxylic acid +c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F K8K ~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide +c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl K8M (3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br K8N (1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol +C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O K8P [(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate +c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I K8Q 4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide +c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4 K8S (3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide +c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O K8T 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide +c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O K8V 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid +[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide +c1[nH]c2c(n1)c(c(c(c2I)I)I)I K8X 4,5,6,7-tetraiodo-1h-benzimidazole +c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O K8Y 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid +c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl K91 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol +[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide +CC(C)(C[C@@H](C(=O)O)N)C(F)F K94 4-(difluoromethyl)-l-leucine +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C K95 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3 K97 3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid +C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O K99 (2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid +Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N K9A 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O K9B (4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O K9H {2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid) +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O K9J 1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O K9K (10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide +c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4 K9L (1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5 K9M 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C K9P 1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one +c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O K9Q (2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1ccc2c(c1)c(cs2)CN K9S 1-(1-benzothiophen-3-yl)methanamine +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4 K9T 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate +c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F K9V n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N K9W (2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N K9Y 1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N K9Z (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide +CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4 KA2 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol +c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F KA4 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide +COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC KA5 5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine +COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F KA7 n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide +c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N KA8 (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N KAA 5'-o-[(l-lysylamino)sulfonyl]adenosine +C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O KAB kabiramide c +c1ccc(cc1)C(=O)NCCCC(=O)O KAC 4-(benzoylamino)butanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O KAF n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine +C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 KAG 2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate +C[C@H]([C@@H](CCC(=O)O)O)N KAH 5-amino-4-hydroxyhexanoic acid +CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O KAI 3-(carboxymethyl)-4-isopropenylproline +c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N KAK 3'-deoxy-guanosine-5'-monophosphate +C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O KAL kalimantacin +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O KAM n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N KAN kanamycin a +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4 KAO 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea +C[C@@H](C(=O)CCCCCC(=O)O)N KAP 7-keto-8-aminopelargonic acid +CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN KAQ (2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O KAR 3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine +B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O KAS 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid +c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 KAT (4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone +Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5 KAV n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide +c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4 KAW n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan +Cc1ccc(c(c1)C(=O)O)C(=O)O KAY 4-methylbenzene-1,2-dicarboxylic acid +CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O KAZ 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid +Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O KB0 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol +c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F KB1 5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine +CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3 KB2 (3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl KB4 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1nc(c2c(n1)[nH]c(n2)S)N KB5 6-azanyl-9~{h}-purine-8-thiol +CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O KB7 5'-o-(ethylcarbamoyl)guanosine +Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3 KB8 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O KBA 2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside +c1cc(c(cc1F)S(=O)(=O)N)F KBB 2,5-bis(fluoranyl)benzenesulfonamide +c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBD 5'-o-(benzylcarbamoyl)guanosine +C(C[C@@H](CC(=O)O)N)CN KBE beta-lysine +c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O KBF 3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide +C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O KBG beta-d-arabino-hexopyranos-2-ulose +c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F KBH 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid +c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F KBI trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol +c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O KBJ 5'-o-[(2-phenylethyl)carbamoyl]guanosine +CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O KBK [(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid +COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl KBM (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone +c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S KBN 2-(trifluoromethyl)-9~{h}-purine-6-thiol +CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O KBP s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate +c1c[nH]c2c1C(=O)NC(=S)N2 KBQ 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one +CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO KBR icaridin +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC KBS 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid +CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KBT 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N KBV (3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid +[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O KBW re4(mu3-oh)4(co)12 +CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC KBY n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine +c1cc(ccc1C#N)S(=O)(=O)N KBZ 4-cyanobenzenesulfonamide +CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C KC1 chlorophyll c1 +Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O KC2 chlorophyll c2 +CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F KC4 n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide +COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O KC5 (4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one +c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O KC6 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid +c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO KC7 (1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol +C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 KC8 2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one +CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F KCA methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O KCD 7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide +C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN KCE [(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane +c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O KCH 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +c1c(ncs1)C[C@@H](C(=O)O)N KCJ 3-(1,3-thiazol-4-yl)-l-alanine +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N KCM n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine +O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6 KCO co-substituted beta-keggin +CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O KCP 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +CC(=O)[C@H](C[C@@H]1CCNC1=O)N KCQ (3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one +C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N KCR n-6-crotonyl-l-lysine +C(=S)(S)S KCS carbonotrithioic acid +c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O KCT (5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid +C(CCNC(=O)O)C[C@@H](C(=O)O)N KCX lysine nz-carboxylic acid +C(CS)[C@H](C(=O)O)N KCY d-homocysteine +C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2 KCZ 4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O KD0 3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O KD5 4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid +[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4 KD7 n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide +Cc1c(nc2c(n1)C(=O)NC(=S)N2)C KD8 6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O KDA prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid +C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O KDB 3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid +C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O KDD 2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O KDE prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid +C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O KDF 3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid +C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O KDG 2-keto-3-deoxygluconate +c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O KDH (2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N KDI 3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KDJ (1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid +[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N KDK 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC KDL (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDM deamino-alpha-neuraminic acid +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O KDN deamino-beta-neuraminic acid +C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O KDO 3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid +C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O KDP 2-keto-deoxy-galactose +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl KDQ (2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide +C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O KDR prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F KDS 4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3 KDT n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)cc(cn2)C#N KDV quinoline-3-carbonitrile +Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C KDW ~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide +c1cc(c2cc[nH]c2c1)CCN KDY 2-(1h-indol-4-yl)ethan-1-amine +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KDZ (3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KE1 meropenem, bound form +Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KE2 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O KE4 (4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid +Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O KE5 (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C KE7 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide +CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C KE8 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F KE9 (e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-] KEA 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEB (3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O KED [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4 KEE (1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O KEF cefuroxime (oct-3-ene form) +O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12 KEG 12-tungstophosphate +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O KEH (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4 KEJ n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl KEK (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO KEL n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine +C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O KEM (3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate +CN(C)C KEN n,n-dimethylmethanamine +C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN KEO e(r)-beta-lysyl-hydroxylysine +Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4 KEP n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEQ (3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione +c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl KES n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O KET 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O KEU n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid +Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C KEV n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O KEW (3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4 KEY n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide +C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O KEZ 3-acetylene dicyclotyrosine +COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 KF1 n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O KF2 [(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid +COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 KF4 n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N KF5 9-[(2~{s})-oxan-2-yl]purin-6-amine +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O KF7 [(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O KFA [(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C(CCN)CC(=O)O KFB 5-aminovaleric acid +c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6 KFD n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide +C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O KFE (2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide +COP(=O)(O)OC KFG dimethyl hydrogen phosphate +c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KFH 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-] KFJ 4-(4-nitrophenyl)-l-threonine +Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C KFK 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine +C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O KFN 2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid +c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N KFP n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine +c1ccc-2c(c1)NC(=O)c3n2c(nn3)S KFQ 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O KFS [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid +CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O KFT (2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide +CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KFV [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +C1C[C@H]([C@@H](NC1)CO)O KFW (2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol +C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC KFY 9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine +CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O KFZ 2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O KG1 propadienyl 6-deoxy-alpha-l-galactopyranoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N KG4 5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine +c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4 KG5 (2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol +C/C(=N\O)/C(=O)O KG7 (2e)-2-(hydroxyimino)propanoic acid +c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O KG8 (5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGA [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O KGB (2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol +C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N KGC n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C KGD beta,psi-caroten-4-one +C1C=C[C@H]([C@@H](N1)CO)O KGE (2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol +COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4 KGG (3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine +C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O KGH (1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O KGJ [1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium +Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KGK 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide +CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O KGM heptyl alpha-d-mannopyranoside +C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O KGN d-chiro inositol hexakisphosphate +C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O KGP (2r)-sulfonatepropionyl-amino(dethia)-coa +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC KGQ diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate +C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] KGR 5-keto-4-deoxyglucarate +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O KGT n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine +CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C KGU ~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide +c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N KGV 3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) +CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 KGW 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide +CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO KGY 4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide +c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5 KGZ 1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O KH1 5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol +C[N+]1(CCCCC1)CCCS(=O)(=O)[O-] KH2 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate +CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KH3 5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O KH4 s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate +c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH5 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KH8 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO KHA 1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium +C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O KHB n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4 KHC (4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile +CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N KHD n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide +c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N KHE 1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide +C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 KHG (1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide +COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N KHH methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate +C[n+]1ccc(cc1)c2cc[n+](cc2)C KHJ 1,1'-dimethyl-4,4'-bipyridin-1-ium +c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36 KHK ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine) +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O KHM (1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid +c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12 KHN ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine) +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O KHP 4-nitrophenyl alpha-l-arabinofuranoside +C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F KHQ 1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one +CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F KHS n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide +c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F KHT ~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide +CCC[C@H](c1nnnn1Cc2ccccc2)NN KHW [(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane +Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O KHY (s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol +C(c1[nH]nnn1)NN KHZ 1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane +c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl KI1 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one +c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2 KI2 3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid +Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O KI3 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol +Cc1cc(nc(n1)SCCO)C KI5 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol +c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl KI9 2,3,4,6,8-pentachloro-9h-carbazol-1-ol +COC1=CC(=O)C=C(C1=O)OC KIA 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione +COc1cc(cc(c1O)OC)O KIB 2,6-dimethoxybenzene-1,4-diol +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O KIF kifunensine +c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-] KIJ 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid +C=CC(=O)[C@H](CO)N KIK (4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one +Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC KIM n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F KIN 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea +c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3 KIQ (1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O KIR kirromycin +c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O KIU 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid +CC(C)C(=O)C(=O)O KIV 3-methyl-2-oxobutanoic acid +c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O KIW 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid +CCCCCCCCC(=O)NCCCCCCCC(=O)N KJ1 n-(8-amino-8-oxooctyl)nonanamide +c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN KJ2 4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol +[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N KJ4 n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine +CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F KJ5 4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +c1ccc(cc1)C[C@H]2CN=C(N2)N KJ7 (5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine +CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJ8 n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide + KJB 3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one +c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N KJD 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide +CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC KJE 18-carboxymethoxy-cleaviminium +c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O KJG 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione +C=C1c2ccccc2C=CC1=O KJH 1-methylidenenaphthalen-2-one +Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6 KJJ (2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid +B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O KJK (3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid +C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C KJL archazolid a +[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N KJM 1-(3-chlorophenyl)cyclobutane-1-carboximidamide +Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl KJP 3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJQ (2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol +CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJR n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide +CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C KJS 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole +CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC KJT diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium +c1cc2c(cc1Cl)NC(=O)CO2 KJU 6-chloro-2h-1,4-benzoxazin-3(4h)-one +CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5 KJV 4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide +CC(C)[C@@H]([C@H](C(=O)O)N)O KJW (d)3-hydroxy-leucine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C KJX (2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol +Cc1cc(c(c(c1C=O)O)C)O KJY 2,4-dihydroxy-3,6-dimethylbenzaldehyde +c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl KJZ [(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid +CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC KK1 6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine +c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine +CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C KK4 3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one +O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4 KK5 zn-substituted alpha-keggin +COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F KK6 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile +Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3 KK7 n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5 KK8 n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide +CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C KK9 n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide +C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O KKA (2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)O KKD n-acetyl-l-aspartic acid +[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O KKE 1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea +c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl KKF 8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one +c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O KKG (4-oxoquinazolin-3(4h)-yl)acetic acid +B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O KKH 1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea +CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O KKJ (2s,3r)-2-hexyl-3-hydroxynonanoic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KKK 1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N KKL 4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide +C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKM 7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=C2C=COC=C2OC1=O KKN 3-methyl-2h-furo[2,3-c]pyran-2-one +CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3 KKP 7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F KKQ [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone +CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C KKR 1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione +c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5 KKS 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one +CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N KKT n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide +c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O KKV 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C KKY 6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl KKZ [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C KL1 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N KL2 adenosine-2',3'-vanadate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3 KL4 6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O KL5 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea +Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F KL7 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine +[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O KL8 (3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F KLA 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N KLB 5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F KLD 6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +[H]/N=C(\c1ccc(s1)c2ccccc2)/N KLE 5-phenylthiophene-2-carboximidamide +c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLG n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide +c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO KLH n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide +CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6 KLI 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one +COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO KLJ n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide +Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O KLK ~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O KLM 8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KLN 1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine +Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C KLP n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide +c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F KLQ bictegravir +CNC(=O)NC(=N)Nc1ccccc1 KLS 1-methyl-3-(n-phenylcarbamimidoyl)urea +c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O KLT 2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide +CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O KLV 4-methylumbelliferyl phosphate +c1ccc(c(c1)C(=O)N)C(=O)O KLW 2-carbamoylbenzoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC KLY 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N KLZ 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide +c1ccc(cc1)COc2ccc(c3c2nccc3)Cl KM0 8-(benzyloxy)-5-chloroquinoline +c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl KM1 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline +[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N KM2 7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 KM3 {n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC KM5 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C KM7 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N KM8 ~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3 KMA 6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN KMB 2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C KMD 6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O KME (1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C KMG n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide +C[C@@H](CC(=O)CC(=O)O)N KMH (5s)-5-amino-3-oxo-hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F KMJ 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine +COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N KMK methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate +Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F KMM 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3 KMN 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol +c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O KMP 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one +C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O KMQ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C KMS 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine +CSCCC(=O)C(=O)O KMT 4-(methylsulfanyl)-2-oxobutanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC KMV 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N KMW 3-(4-aminocarbonylphenoxy)benzamide +c1ccc2c(c1)c(c(s2)C(=O)NO)Cl KMY 3-chlorobenzothiophene-2-carbohydroxamic acid +c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O KN0 4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O KN1 4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O KN2 4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol +CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C KN3 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C KN4 6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC KN9 n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide +CCCCCCCCC(=O)O KNA nonanoic acid +CS(=O)(=O)C[C@@H](C(=O)O)N KNB 3-(methylsulfonyl)-l-alanine +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N KNC kanamycin c +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C KND 6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O KNG kanglemycin a +CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O KNH myxovirescin a +CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O KNI (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide +Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N KNJ (4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide +c1cc(c(c(c1)Cl)OCC(=O)O)Cl KNL (2,6-dichlorophenoxy)acetic acid +CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2 KNM ada-(ahx)3-(leu)3-vinyl sulfone +Cc1ccccc1CN KNN 1-(2-methylphenyl)methanamine +c1cc(c(c(c1)F)OCC(=O)O)F KNP (2,6-difluorophenoxy)acetic acid +CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C KNS 6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine +c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5 KNT pranlukast +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C KNV 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F KNW (2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid +c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F KNZ (2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid +C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O KO1 d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid +C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O KO2 prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid +[OH2][K]([OH2])([OH2])[OH2] KO4 potassium ion, 4 waters coordinated +Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F KO5 (2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid +c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F KOB 2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide +c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOE (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O KOH 3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid +C1=C(OC=C(C1=O)O)CO KOJ 5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one +c1ccc2c(c1)CCN2C(=O)n3ccnn3 KOK (2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O KOL (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O KOM 7,8-dihydroxy-4-phenyl-2h-chromen-2-one +c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KON (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +COP(=O)(O)O KOP methyl dihydrogen phosphate +c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KOQ (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N KOR l-homocysteine-s-n-s-l-cysteine +C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC KOS 17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin +c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KOT 1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O KOU (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O KOV (6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O KOW (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O KOY 5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine +c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KOZ (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(C)(CC(C)(C)O)O KP1 2,4-dimethylpentane-2,4-diol +c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N KP2 5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2 KP3 5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine +c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F KP5 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +Cc1c(c(n(n1)C)C)CCO KP6 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol +c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O KP8 (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +C(CC(=O)C(=O)O)CP(=O)(O)O KPA 2-oxo-5-phosphonopentanoic acid +c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F KPB (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol +CC(=O)CSCCS(=O)(=O)O KPC (2-[2-ketopropylthio]ethanesulfonate +C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N KPF n-(1-carboxy-2-fluoro-ethenyl) lysine +C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O KPG [(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate +C(CCN)C[C@H](N)P(=O)(O)O KPH [(1r)-1,5-diaminopentyl]phosphonic acid +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O KPI (2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C KPJ 6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine +Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O KPK 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid +CC(C)(CO)C(=O)C(=O)O KPL ketopantoate +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O KPM 2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose +c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O KPN n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine +C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F KPQ 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide +C[C@@H](C(=O)/C=C/OP(=O)(O)O)N KPR [(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate +C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O KPS pseudouridine 5'-phosphate, linear +c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 KPT 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium +c1ccc(cc1)CCCC(=O)C(=O)O KPV 5-phenyl-2-keto-valeric acid +Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N KPW 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide +C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O KPY (2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid +Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5 KQ7 n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide +C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O KQ8 (2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid +[O][Mg](F)(F)F KQB trifluoromagnesate monohydrate +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1 KQD (3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de} +c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4 KQE 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine +CN(C)c1nccc(n1)c2cnn3c2cccn3 KQK ~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N KQP 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide +CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C KQQ 3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide +C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F KQS (3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide) +COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6 KQT berberine +CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6 KQV [(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) +CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4 KQW ~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C(CCC(=O)N)CCN KQY 6-aminohexanamide +CN(C)c1nccc(n1)c2c[nH]c3c2cccn3 KQZ ~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +[Kr] KR krypton +CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC KR0 3-decanoyloxypropyl decanoate +Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N KR1 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile +c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N KR2 (2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine +CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl KR4 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol +Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C KR5 4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide +c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O KR7 (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid +CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4 KR8 ~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O KRA kurasoin a +c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3 KRB kurasoin b +CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC KRC (9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide +CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl KRD 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide +COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 KRE ~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide +CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C KRG 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid +CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C KRH 5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione +C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N KRI (s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid +c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N KRJ 4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide +c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F KRK 3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine +CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N KRL 5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide +c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4 KRM 4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine +Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O KRO 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRP 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile +CNc1nccc(n1)c2cnn3c2cccn3 KRQ ~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O KRS cladosporin +B(c1cccc(c1)/C=C/C(=O)O)(O)O KRT (~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid +CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C KRV 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile +c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3 KRW 2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol +COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KRX 6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N KRY 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide +c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I KRZ (2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid +c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N KS1 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KS2 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KS3 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol +COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N KS4 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N KS5 1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC KS7 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane +c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O KS8 fosinoprilat +C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O KSA k-252a +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N KSB lambda-[ru(tap2-dppz-cn]2+ +Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4 KSC 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC KSD n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine +Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N KSE 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl KSF n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N KSG (1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside +CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO KSH 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O KSJ [(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N KSK 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C KSL n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine +Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl KSM n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine +C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N KSN (2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid +c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O KSP [(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid +Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4 KSR 6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine +CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC KSS 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine +c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N KST n~6~-(5-carboxy-3-thienyl)-l-lysine +CCOP(=O)(O)OC[C@@H](CO)O KSV (2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate +CC1=CC=CC1=O KSW 2-methylcyclopenta-2,4-dien-1-one +c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O KSY 4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC KSZ ~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate +COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O KT1 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O KT2 2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O KT3 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O KT4 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O KT5 n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid +c1cc2c(cc1O)C(=O)NC2=O KT7 5-hydroxy-1h-isoindole-1,3(2h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N KT8 2'3'-cyclic-gmp-2'f-2'damp +C1C[C@@H](CC(=O)C1)CC(=O)O KTA (s)-cyclohexanone-2-acetate +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O KTB neugc gm3 +CCCCCCCCC(=O)CCCCCCCCC(=O)O KTC 10-oxooctadecanoic acid +c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3 KTD 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O KTE (2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol +c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O KTG 4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1csc(n1)C=O KTH 2-ketothiazole +c1cc(ccc1c2c[nH]nc2N)O KTJ 4-(3-amino-1h-pyrazol-4-yl)phenol +c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O KTK 4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O KTL (1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O KTM 4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl KTN cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine +c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4 KTO (2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal +c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O KTP (2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid +COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-] KTQ ~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine +c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O KTR (1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid +C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O KTU prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid +c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O KTV 4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +[H]/N=C(\c1cc2c(s1)cccc2Cl)/N KTW 4-chloranyl-1-benzothiophene-2-carboximidamide +CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4 KTZ n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O KU0 2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O KU1 n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU2 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide +CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O KU4 2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O KU5 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O KU7 2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F KU8 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one +c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O KU9 2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide +c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O KUA {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone +C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F KUB 4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide +c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O KUD [(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4 KUE ~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1ccc2c(c1)C(=O)NC=C2 KUF 7-methyl-2h-isoquinolin-1-one +c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O KUG [(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC KUH ~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C KUJ (3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione +c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O KUK (2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid +COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4 KUM [2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N KUN (~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid +COc1ccc(cc1OC)Cc2cnc(nc2N)N KUP 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine +c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KUQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O KUT kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N KUV 5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid +Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N KUY 5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide +CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC KV1 n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide +c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl KV4 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine +c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KV5 (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6 KV9 7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F KVB 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F KVC (5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile +c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O KVD 5-(phenylethynyl)pyridine-3-carboxylic acid +c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVE (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol +c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O KVH (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C KVI (2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide +CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide +C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O KVM [(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid +c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVN (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol +C[N+](C)(C)C[C@H](O)P(=O)(O)O KVP (2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVQ (2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O KVS n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide +Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C KVT ~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +C[N+](C)(C)CCP(=O)(O)O KVV n,n,n-trimethyl-2-phosphonoethan-1-aminium +c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O KVW (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol +CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N KVY 4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide +CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O KVZ 2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide +Cc1c(c(no1)NC(=O)CSCC(=O)O)Br KW1 ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid +C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O KW5 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide +COC(=O)c1c(c(c[nH]1)c2ccccc2F)N KW7 methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate +CC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KW8 (1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl KWA 1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine +c1cc(c(cc1C2CCCCC2)C(=O)[O-])O KWB 5-cyclohexyl-2-hydroxybenzoate +c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl KWD 2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide +c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4 KWE 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione +c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O KWG 3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid +CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWH (1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C KWJ (7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC(C)CCNCCc1c[nH]c2c1cccc2 KWK ~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine +Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O KWM [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate +C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C KWN (1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid +c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl KWP ~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide +CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1 KWQ (1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O KWS {2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C KWT (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate +CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl KWV ~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN KWW 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide +CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4 KWY 4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide +c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3 KWZ 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile +c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3 KX1 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile +C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC KX2 (4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate +c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KX5 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid +c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O KX7 icilin +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O KX8 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid +Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN KXA 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN KXB 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one +c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O KXE 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N KXG [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate +CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN KXH ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate +CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO KXJ n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O KXK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O KXM [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O KXN (2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol +c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F KXO 6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC KXP (2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate +c1cc2cc[nH]c2c(c1)C(=O)O KXQ 1~{h}-indole-7-carboxylic acid +C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C KXS (1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide +c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4 KXT 2,6-diphenylimidazo[1,2-a]pyridine +Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C KXU 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide +COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KXV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid +c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KXW (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid +c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O KXZ 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid +c1ccc(c(c1)C(=O)CCC(=O)O)N KY1 4-(2-aminophenyl)-4-oxobutanoic acid +[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KY2 1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine +CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC KY3 (1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid +c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O KY4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY5 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O KY7 {(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O KY8 (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol +c1ccc2c(c1)c(cc(n2)C(=O)O)O KYA 4-hydroxyquinoline-2-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYB 1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine +Cc1c(c(n[nH]1)C)C(=O)O KYD 3,5-dimethyl-1h-pyrazole-4-carboxylic acid +[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYE (2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid +C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O KYG (1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] +[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O KYH 1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine +c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N KYJ (2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYK n6-benzyl-(alpha,beta)-methylene-adp +c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O KYM (2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N KYN (2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O KYP 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide +C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N KYQ (e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine +c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl KYS n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii) +CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C KYT (3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii) +c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O KYV 2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide +CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O KYW (n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp +c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O KYY 2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide +CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC KYZ ~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZ1 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +c1cc2ccsc2c(c1)C(=O)O KZ2 1-benzothiophene-7-carboxylic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O KZ4 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O KZ5 (2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O KZ7 {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4 KZ8 ~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2 KZ9 (s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one +C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1 KZB (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol +C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O KZE [(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O KZG {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid +CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O KZH (13-oxo-9(z),11(e),15(z)-octadecatrienoic acid) +COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N KZI 5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide +CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N KZJ 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide +COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4 KZK ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide +CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC KZL 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide +COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N KZM 5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4 KZN ~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N KZP 5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4 KZQ (4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide +CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC KZS n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine +COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4 KZT ~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide +c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O KZV {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O KZY {(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3 KZZ 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide +C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N L00 (2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine +CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O L01 3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide +c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl L02 4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine +CSc1[nH]c(nn1)c2ccc(cc2)Cl L03 3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole +CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O L04 6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid +COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4 L05 1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione +C(C[C@@H](CS)C(=O)O)CNC(=N)N L06 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid +CCCc1nc2c(s1)c3ccccc3nc2N L07 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine +CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C L08 1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine +CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl L09 n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea +C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 L0A digitonin +CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O L0B alpha-lobeline +c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F L0C 4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium +c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3 L0D 2-(1h-pyrazol-3-yl)-1h-benzimidazole +c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5 L0E 4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0F n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5 L0G 2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium +c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 L0H n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide +c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5 L0I 4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3 L0J n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide +COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4 L0K ~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide +Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6 L0M n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C L0N ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5 L0P n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide +CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C L0Q ~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3 L0R 1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone +CCN(CC)/C(=N/[P@@](=O)(C)OC)/C L0S methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate +CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O L0T 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate +CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC L0W lipopolysaccharide fragment +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4 L0Y 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C L0Z 4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide +CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3 L10 n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea +c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F L11 n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro- +c1ccc2c(c1)c(c[nH]2)CCc3ccncc3 L12 3-(2-pyridin-4-ylethyl)-1h-indole +Cc1ccccc1C2=NNC(=S)N2N L13 4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione +C1CC(CCC1C(=O)O)C(=O)O L14 trans-cyclohexane-1,4-dicarboxylic acid +Cc1c(c[nH]n1)c2ccc(cc2)CCN L15 2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine +C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl L17 l17 +C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2 L18 (2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine +COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 L19 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid +CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O L1A n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide +CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC L1B 7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium +c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl L1C (2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide +c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O L1D (2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide +Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl L1E n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N L1G n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O L1H 3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide +CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O L1K ~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O L1L 2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose +CCN(CC)/C(=N/[P@H](=O)OCC)/C L1M ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate +c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O L1O 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L1P 3-phosphoryl-[1,2-di-phytanyl]glycerol +CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F L1Q 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide +CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl L1R 4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide +COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N L1S methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate +[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide +c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L1V 4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7 L1W ~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C L1X n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O L1Y 4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6 L1Z ~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N L20 (2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +CC(=CCn1cnc(c-2ncnc12)N)C L21 3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine +c1cnc(nc1c2csc(n2)N)N L22 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine +Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N L23 4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine +c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O L24 [[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O L25 ~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C L26 4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6 L27 {1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N L28 n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide +CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5 L29 n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) +CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O L2A (2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O L2B 3'-deoxyuridine-5'-monophosphate +CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC L2C (2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate +C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5 L2D {2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron +CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C L2E (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one +CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N L2G n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C L2H (12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione +c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F L2J n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide +c1cc(c(cc1C2=NNC3=NCCN3C2)F)F L2K 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine +C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7 L2M {(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O L2N ~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CC(C)C[C@H]([C@@H](C(=O)O)O)N L2O (2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L2P 2,3-di-phytanyl-glycerol +COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6 L2Q [(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate +Cc1ccc(cc1)SCC(=O)N2CCCCC2 L2S 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine +Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4 L2T 4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O L2W ~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCN(CC)/C(=N/[P@](=O)(C)F)/C L2Y (s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride +Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O L2Z ~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +c1ccc2c(c1)cccc2NC(=O)c3cccnc3 L30 n-(naphthalen-1-yl)pyridine-3-carboxamide +Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O L31 3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol +c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br L32 {[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C L33 4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O L34 4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid +CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl L35 2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid +CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC L36 ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N L37 [[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid +C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI L39 (3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione +C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O L3A (2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid +Cc1ccccc1C2=NC(=S)N=N2 L3B 5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione +Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C L3D (2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F L3E 4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid +Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N L3G n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide +c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3 L3H [(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate +CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C L3J (e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide +c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3 L3L 3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide +CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O L3M (3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CC(C)C[C@@H]([C@@H](C(=O)O)O)N L3O (2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L3P 2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate +C1CN2[C@@H](CN1)COC2=O L3Q (8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one +Cc1ccc(c(c1)O)[N+](=O)[O-] L3S 5-methyl-2-nitrophenol +Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4 L3T n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N L3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)Nc1ccc(cc1)CO L3V n-[4-(hydroxymethyl)phenyl]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N L3W [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CS(=O)(=O)c1ccc(cc1)C=O L3Y 4-(methylsulfonyl)benzaldehyde +c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2 L3Z 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one +CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C L40 4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide +CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O L41 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3 L43 3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC L44 (2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate +CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O L45 ~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide +CCc1c(c([nH]c1C(=O)NC)C)C(=O)C L46 4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide +CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O L47 3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol +C(CO)c1c(nc(o1)CCO)C(=O)O L4A 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid +C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C L4B (4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid +CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O L4C (2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid +C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4 L4D {(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+) +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C L4E geranylgeranyl dihydroxybenzoate +CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O L4G 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol +CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C L4H farnesyl dihydroxybenzoate +CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1 L4J n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide +CCCCCc1ccc(cc1)S(=O)(=O)N L4K 4-pentylbenzenesulfonamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O L4M 4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid +CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C L4P 3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol +CCCCCCc1ccc(cc1)S(=O)(=O)N L4Q 4-hexylbenzenesulfonamide +c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O L4S 2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L4T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide +CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O L4V 13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione +CCCCCOc1ccc(cc1)S(=O)(=O)N L4W 4-pentoxybenzenesulfonamide +C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1 L4Y (5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n(n1)C)CNC(=O)O L4Z (2,5-dimethylpyrazol-3-yl)methylcarbamic acid +Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L50 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N L51 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO L52 n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide +C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O L53 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O L54 {(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C L55 n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O L56 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid +c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl L57 ({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O L58 4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O L59 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide +c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O L5A (4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF L5B 6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid +Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C L5C n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide +Cc1cccc(c1)c2cccc(c2)C(=O)O L5D 3-(3-methylphenyl)benzoic acid +c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br L5E [(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium +COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5 L5G 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline +c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4 L5H ~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide +c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O L5J (4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid +c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O L5K ~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide +c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O L5N 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid +C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N L5P (2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid +Cc1cc(no1)C(=O)NCC(F)(F)F L5Q 5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide +Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4 L5S 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene +CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O L5T n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide +c1c(nc(cn1)Cl)c2nc[nH]n2 L5V 2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine +C1CC2(CCC1C2)C(=O)NO L5W ~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide +c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO L5Y 2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol +c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4 L5Z (1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine +C1CNC(=O)NC1 L60 1,3-diazinan-2-one +CC(C)COC(=O)N[C@H](CC=O)c1ccccc1 L61 2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2 L62 cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O L63 n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide +c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7 L64 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea +Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O L66 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O L67 {(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O L68 2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid +CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O L69 [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid +COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O L6B methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate +c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2 L6C phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate +CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O L6E [2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L6G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione +C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 L6H [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate +Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C L6I (3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid +COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O L6J [(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid +CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O L6K (2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid +c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O L6M 5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine +c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N L6P 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid +C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O L6S 6-o-sulfo-alpha-l-galactopyranose +CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O L6T alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside +c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N L6V n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide +c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O L6Y 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione +CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN L71 (3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione +c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl L74 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5 L75 n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide +C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F L76 1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F L77 2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide +CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C L79 (s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid +c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3 L7A n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide +c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O L7D 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L7G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC L7H ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine +c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F L7J 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole +c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN L7K [(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane +Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C L7M 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O L7N (~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium +CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 L7O n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide +c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O L7P 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol +CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N L7S 3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F L7T 2,3,4,5,6-pentafluorobenzenesulfonamide +c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4 L7Y 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one +c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F L80 (3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol +CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C L81 1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O L84 (1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide +c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O L85 4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid +c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl L86 (11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C L87 8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6 L88 (4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid +c1cncc(c1N)N L89 pyridine-3,4-diamine +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F L8A 1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O L8B (4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO L8C n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide +CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC L8D (5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide +CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS L8G (5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione +COc1cc(cc2c1cccc2)N L8H 4-methoxynaphthalen-2-amine +CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F L8I 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one +c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br L8J [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C L8M n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N L8N phenyl-(4-sulfamoylphenoxy)phosphinic acid +C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O L8P ({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid +COc1ccc(cc1O)[N+](=O)[O-] L8Q 2-methoxy-5-nitro-phenol +c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O L8S 9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione +c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F L8V 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C L8W (+)-jd1 +CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F L8Y 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide +CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C L90 8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F L91 6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4 L92 (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid +C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N L94 n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium +CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N L95 [(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate +Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5 L96 3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid +c1cc(c(nc1)Cl)N L97 2-chloranylpyridin-3-amine +c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O L98 (2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid +c1cc(c(cc1C(=O)NN)N)N L99 3,4-bis(azanyl)benzohydrazide +CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3 L9A 6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide +c1cc(ccc1CCCCO)S(=O)(=O)N L9B 4-(4-oxidanylbutyl)benzenesulfonamide +[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O L9D (1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid +Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N L9G 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C L9J (1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide +CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5 L9K (~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine +c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F L9L 5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N L9M (2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N L9N (2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine +CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C L9P voxilaprevir +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC L9Q (1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC L9R (2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5 L9S n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea +Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C L9T n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine +CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5 L9W n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine +CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N L9X l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3 L9Y 4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid +C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O L9Z (1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +[La+3] LA lanthanum (iii) ion +CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC LA1 (2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide +C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S LA2 n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine +c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O LA3 (2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O LA4 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O LA5 beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose +CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C LA6 (2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate +Cc1ccc(c(n1)CO)O LA7 2-(hydroxymethyl)-6-methylpyridin-3-ol +c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N LA8 l-adenosine-5'-diphosphate +C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O LA9 (2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +[C@H]([C@H](C(=O)O)O)(C(=O)N)N LAA (3r)-3-hydroxy-l-alpha-asparagine +C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C LAB latrunculin b +C[C@H](C(=O)O)O LAC lactic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N LAD adenosine-5'-[lysyl-phosphate] +CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O LAE 3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide +C(CC(=O)O)C(=O)CF LAF 5-fluorolevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O LAG maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime +CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O LAH 2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose +C([C@@H]([C@@H]([C@H](C=O)O)O)O)O LAI l-arabinose +CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C LAJ n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O LAK beta-d-galactopyranosyl-1-6-beta-d-glucopyranose +C[C@@H](C(=O)O)N(C)C LAL n,n-dimethyl-l-alanine +c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O LAM 4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside +C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C LAN lanosterol +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O LAO 2-o-phosphono-alpha-l-arabinopyranose +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LAP [2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N LAQ 5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine +C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C LAR latrunculin a +C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O LAS n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LAT beta-lactose +CCCCCCCCCCCC(=O)O LAU dodecanoic acid +CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N LAV n-[(2s)-2-amino-4-methylpentyl]-l-valine +CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O LAX eicosa-8,11,14-trienoic acid +CC(C)C[C@@H](C(=O)O)NC(=O)C LAY n-acetyl-l-leucine +c1cc(ccc1C(=O)NCCO)Cl LAZ n-(2-aminoethyl)-p-chlorobenzamide +CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3 LB1 (1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LB2 3-o-beta-d-glucopyranosyl-beta-d-glucopyranose +Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4 LB4 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide +Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB5 ~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide +c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br LB6 n-[(6-bromo-1h-indol-1-yl)acetyl]glycine +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C LB7 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LB8 ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide +c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O LBA 2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid +Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N LBB ~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide +C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C LBD n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N LBE 5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C LBF leptomycin b +COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3 LBG methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate +Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO LBH panobinostat +C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC LBK 6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O LBL (2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C LBM 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC LBN 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine +CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N LBP (2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid +c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N LBQ 4-(furan-2-ylmethylamino)benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr LBR (2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O LBS 6-o-beta-d-fructofuranosyl-beta-d-fructofuranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O LBT alpha-lactose +COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O LBU methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate +C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBV 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid +C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C LBW 3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N LBY n~6~-(tert-butoxycarbonyl)-l-lysine +c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N LBZ (2~{s})-2-azanyl-6-benzamido-hexanoic acid +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LC l-cytidine-5'-monophosphate +Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N LC0 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine +c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3 LC1 2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide +C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O LC2 n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide +c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O LC3 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +c1cn(cn1)CCCCCCCCCCCC(=O)O LC4 12-(1h-imidazol-1-yl)dodecanoic acid +CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O LC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid +Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7 LC6 7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid +CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O LC7 [(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid +c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N LC8 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N LCA [(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LCB 4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCC [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O LCD {[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid +CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O LCE (1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid +CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C LCF [6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N LCG [(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O LCH [(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 LCI [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium +c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO LCJ 5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide +C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O LCK (z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine +c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] LCL 2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide +c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O LCM n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide) +C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O LCN 1,5-anhydro-d-arabino-hex-1-enitol +[O-]Cl(=O)=O LCO chlorate ion +[O-]Cl(=O)(=O)=O LCP perchlorate ion +c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N LCQ 2-phenylazanyl-9~{h}-purine-6-carbonitrile +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O LCR (2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O LCS [5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate +CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-] LCT n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide +C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O LCV (2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N LCW 2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide +C(CCNC(=O)O)C[C@@H](CO)N LCX carboxylated lysine +CN1C(=O)CCC1=O LCY 1-methylpyrrolidine-2,5-dione +CC(C)C[C@@H](C=O)N LCZ (2s)-2-amino-4-methylpentanal +c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5 LD1 6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4 LD2 6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one +c1cnc(nc1)NC2CCCCCC2 LD4 n-cycloheptylpyrimidin-2-amine +C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N LD5 4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide +CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3 LD6 n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +CCc1nc(on1)C(=O)NCc2ccc(cc2)F LD7 3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide +COc1ccnc(n1)OC LD8 2,4-dimethoxypyrimidine +c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O LD9 [6-(phenylamino)-1-benzofuran-3-yl]acetic acid +CCCCCCCCCCCC[N+](C)(C)[O-] LDA lauryl dimethylamine-n-oxide +C1=CNC(=O)NC1=S LDB 4-thiouracil +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O LDC 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one +COc1ccc(cc1)C(=O)N2CCCCCC2 LDD (azepan-1-yl)(4-methoxyphenyl)methanone +CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O LDE (2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid +COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O LDG 2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate) +CCNCCCC[C@@H](C(=O)O)N LDH n~6~-ethyl-l-lysine +CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2 LDJ 2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LDK (2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid +CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-] LDM 3-laurylamido-n,n'-dimethylpropylaminoxyde +c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6 LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline +C(CCO)C[C@@H](C(=O)O)N LDO 6-hydroxy-l-norleucine +c1cc(c(cc1CCN)O)O LDP l-dopamine +C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3 LDQ hosieine +c1ccc2c(c1)-c3ccccc3NC2=O LDR phenanthridin-6(5h)-one +CCOc1ccc(cc1)NC(=O)c2cnccn2 LDS n-(4-ethoxyphenyl)pyrazine-2-carboxamide +c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br LDT idd594 +C1[C@H]([C@H]([C@H](N1)CO)O)O LDU dideoxy-imino-lyxitol +CC1CCN(CC1)Cc2c[nH]c3c2cccc3 LDV 3-[(4-methylpiperidin-1-yl)methyl]-1h-indole +c1cc(ccc1Oc2ccc(nc2)N)F LDW 5-(4-fluoranylphenoxy)pyridin-2-amine +C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O LDY alpha-d-lyxopyranose +CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 LDZ n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide +CC(C)([C@@H](C(=O)O)N)S LE1 3-sulfanyl-l-valine +c1ccc(cc1)CCNC=S LE2 n-(2-phenylethyl)thioformamide +C[S@@](=O)CCCCNC=S LE3 n-{4-[(r)-methylsulfinyl]butyl}thioformamide +c1cnc(nc1CO)NC2CCCCCC2 LE4 [2-(cycloheptylamino)pyrimidin-4-yl]methanol +CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F LE7 n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide +CCCCC(=O)O LEA pentanoic acid +CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br LEB 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O LEC 4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +C[C@H](C[C@@H](C(=O)O)N)C=O LED (4r)-5-oxo-l-leucine +CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LEE l-gamma-glutamyl-s-hexyl-l-cysteinylglycine +C[C@@H](C[C@@H](C(=O)O)N)CF LEF (4s)-5-fluoro-l-leucine +CCCCCCc1ccc(cc1)C(=O)C=C LEG 1-(4-hexylphenyl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 LEH n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine +CC(C)([C@H](C(=O)O)N)S LEI 3-sulfanyl-d-valine +c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F LEJ 1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide +CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine +c1cnc(cc1C(=O)O)c2cn[nH]n2 LEL 2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid +CC(C)C[C@@H](C(=O)C)N LEM (3s)-3-amino-5-methylhexan-2-one +CC(C)CCN LEN 3-methylbutan-1-amine +CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C LEO d-limonene 1,2-epoxide +CC(C)C[C@@H](C(=O)N)NP(=O)(O)O LEP n~2~-phosphono-l-leucinamide +CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2 LEQ 5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one +C([C@@H](C(=O)CO)O)O LER l-erythrulose +c1cnc(nc1)N[C@H]2CCCCNC2 LES (3s)-n-(pyrimidin-2-yl)azepan-3-amine +C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LET (z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine +CC(C)C[C@@H](C(=O)O)N LEU leucine +CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 l-leucine c-terminal deprotonated fragment +CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H l-leucine c-terminal protonated fragment +CC(C)C[C@@H](C(=O)O)N LEU_LFOH l-leucine free neutral +CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW l-leucine free zwitterion +CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL l-leucine - linking embedded fragment +CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 l-leucine n-terminal protonated fragment +COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 LEV 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide +c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O LEW 1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole +CC(C)C[C@@H](C(=O)CO)N LEX (3s)-3-amino-1-hydroxy-5-methylhexan-2-one +CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F LEY n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide +c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl LEZ ~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine +Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C LF0 (2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C LF1 n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide +Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C LF2 (2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid +CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F LF4 n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide +[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1 LF6 {(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol +[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O LF7 2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne +Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C LF8 (2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid +Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4 LF9 (2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid +CCCCCCCCCCCCCCCCCCCC LFA eicosane +[H]/N=C(\c1cc2cccc(c2s1)OC)/N LFB 7-methoxy-1-benzothiophene-2-carboximidamide +C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O LFC 6-deoxy-l-galactonic acid +c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl LFD (1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate +Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C LFE ~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C LFF (2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid +C1CCCC(CC1)Nc2nnc(o2)C3CC3 LFG n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine +C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] LFH dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide +CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3 LFJ 1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one +c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O LFK 3-(3-hydroxyphenyl)carbonyloxybenzoic acid +c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F LFM n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C LFN lumiflavin +CNC(=O)c1cn(c2c1cccc2)C LFO n,1-dimethyl-1h-indole-3-carboxamide +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl LFP 5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N LFQ 5-methyl-4-phenyl-thiophene-2-carboximidamide +C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O LFR beta-l-fructofuranose +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F LFS (1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate +CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl LFT (1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate +c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl LFV n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I LFW (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O LFX (3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +CCn1cc(nc1)C(=O)NCc2ccc(cc2)F LFY 1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide +c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F LFZ 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid +c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N LG l-guanosine-5'-monophosphate +COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6 LG0 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F LG1 3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium +Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C LG2 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid +c1cnc(nc1N)N LG3 pyrimidine-2,4-diamine +Cc1ccc(nc1)N LG4 5-methylpyridin-2-amine +CN1CC=CC(=C1)N LG5 1-methyl-1,6-dihydropyridin-3-amine +C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O LG6 l-guluronic acid 6-phosphate +c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N LG7 4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile +C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6 LG8 3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione +C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O LG9 (1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol +c1cnc(nc1)N LGA pyrimidin-2-amine +Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O LGB 2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile +C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O LGC d-glucono-1,5-lactone +c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F LGD 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one +Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN LGE methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate +COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4 LGF 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione +CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C LGG n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide +Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] LGH [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F LGJ n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O LGK 6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O LGL 1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7 LGM 3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O LGN n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide +c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N LGP n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate +c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N LGQ 6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine +CC(=O)N(C)c1ccccc1C(=O)O LGR 2-[acetyl(methyl)amino]benzoic acid +CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O LGS (3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol +[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O LGT l-glucaric acid +[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O LGU alpha-l-gulopyranuronic acid +c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5 LGV n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide +c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGW n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6 LGX n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N LGY (e)-n~6~-(4-oxobutylidene)-l-lysine +c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6 LGZ carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester +[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N LH2 4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide +COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC LH3 methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate +c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7 LH4 5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N LH5 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F LH7 1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide +[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N LH8 4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide +CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O LH9 [(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate +c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N LHA doubly functionalized paromomycin pm-ii-162 +COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHB 5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one +C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N LHC (2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid +COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O LHD 2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium +CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O LHE n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline +c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br LHF 5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC LHG 1,2-dipalmitoyl-phosphatidyl-glycerole +CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC LHH [(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C LHI [(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate +Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5 LHJ n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide +C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O LHK (2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid +CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C LHL 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F LHM n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide +Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O LHO 2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione +CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C LHP (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O LHQ ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate +CC(=O)Nc1ccc2cn[nH]c2c1 LHR n-(1h-indazol-6-yl)acetamide +COCc1nc(no1)C(=O)NCc2ccc(cc2)F LHS n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O LHT hydrolysed ertapenem +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O LHU l-uridine-5'-monophosphate +CC(C)[C@@H](C(=O)O)O LHV (2s)-2-hydroxy-3-methylbutanoic acid +O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O LHW mo(10)-o(35) cluster +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO LHY l-[(n-hydroxyamino)carbonyl]phenylalanine +Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C LHZ (6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one +[Li+] LI lithium ion +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC LI0 4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C LI1 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol +c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5 LI2 3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide +c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4 LI3 3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide +c1ccc2c(c1)cccc2COc3cccnc3N LI4 3-(1-naphthylmethoxy)pyridin-2-amine +CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O LI5 2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate +CN1c2ccccc2C(=C(C1=O)O)O LI6 3,4-dihydroxy-1-methylquinolin-2(1h)-one +c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2 LI7 (3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one +CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br LI8 n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide +C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F LI9 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one +COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F LIA (4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl LIB 3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl LIC 3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea +CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl LID 8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium +CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F LIE 2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine +COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F LIF n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea +c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4 LIG 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole +Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4 LIH 6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC LII (z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine +CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3 LIJ benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate +CCCCC(=C)CCC(=C)CC(=O)O LIK 3,6-bis(methylene)decanoic acid +CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC LIL 2-tridecanoyloxy-pentadecanoic acid +CCCCCCCCCCCCC(=O)CC(=O)O LIM 3-oxo-pentadecanoic acid +CC(=O)CC(=O)O LIN 3-oxo-butyric acid +CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC LIO [1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline +[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O LIP l-myo-inositol-1-phosphate +CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3 LIQ n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide +CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O LIR 2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium +C1[C@@H](O1)C[C@@H](C(=O)O)N LIS (2s,4s)-2-amino-4,5-epoxipentanoic acid +c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-] LIT {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid +CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C LIU n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N LIV (2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol +CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6 LIW 4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide +CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC LIX n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC LIY 6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine +c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO LIZ n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine +Cc1cc(cc(c1O)C)\C=C\c2ccccc2 LJ1 2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br LJ2 2,6-dibromo-4-[(e)-2-phenylethenyl]phenol +c1ccc(cc1)c2cc(c(c(c2)Br)O)Br LJ3 3,5-dibromobiphenyl-4-ol +c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br LJ4 2,6-dibromo-4-phenoxyphenol +c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br LJ5 n-(3,5-dibromo-4-hydroxyphenyl)benzamide +Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C LJ6 (2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide +CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F LJ7 n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide +C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O LJ8 (2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid +CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4 LJ9 3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole +CC(=O)Nc1cccc(c1)NC(=O)N LJA n-[3-(carbamoylamino)phenyl]acetamide +O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O LJB mo(8)-o(26) cluster +Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl LJD n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide +Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F LJE n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide +C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F LJF n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide +CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N LJG n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide] +c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N LJH n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide) +Cc1nnc(o1)NC2CCCCCC2 LJJ n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine +CCC(C)(C)NC(=O)c1cc(n[nH]1)C LJK 3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide +CCc1cnc(s1)C(=O)NCc2ccc(cc2)F LJM 5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide +CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LJN [(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C LJP n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide +CNS(=O)(=O)CC1CCCCC1 LJR 1-cyclohexyl-n-methylmethanesulfonamide +CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O LJS (2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid +COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl LJT 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol +Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N LJV 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile +[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N LJW 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide +COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl LJY 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile +c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2 LJZ 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide] +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC LK0 methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O LK1 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid +CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK2 n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid +CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LK3 n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid +c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N LK4 n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O LK5 (1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2 LK6 n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide +CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC LK7 (1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid +Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F LK8 (2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O LKA 5-thio-alpha-d-mannopyranosylamine +c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N LKB ~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O LKC 4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one +CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl LKD 3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] LKE 2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC LKF 4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine +c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O LKG 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol +c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O LKH 4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid +c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O LKJ (2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid +CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O LKK 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid +CN(CCO)c1c(cc(cn1)Cl)F LKL 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol +c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O LKM n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid +c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O LKP trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol +Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C LKQ ~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide +[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O LKS n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine +c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4 LKT 2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile +Cc1ccc(cc1O)NC(=O)c2cccc(c2)F LKU 3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide +CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O LKW 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid +Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4 LKY 3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide +CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O LKZ 3,5,7,9,11-pentakis(oxidanylidene)dodecanal +c1ccc(c(c1)OC(F)F)S(=O)(=O)N LL0 2-(difluoromethoxy)benzene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)c3ccncc3 LL1 3-pyridin-4-yl-1h-indazole +c1ccc(cc1)Cc2cnc(s2)N LL2 5-benzyl-1,3-thiazol-2-amine +c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 LL3 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone +CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 LL4 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one +CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N LL5 (2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one +COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3 LL7 (2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide +CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC LL8 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione +COc1ccc(cc1Cl)CNCCS(=O)(=O)O LL9 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid +c1ccc(cc1)C[C@@H](C(=O)O)O LLA l-2-hydroxy-3-phenyl-propionic acid +CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone +c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3 LLD 2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate +CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O LLE (2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide +Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O LLF (4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)cccc2CC(=O)OCCN LLG 2-aminoethyl naphthalen-1-ylacetate +[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O LLH (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid +COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LLI (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2 LLJ 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene +C/C=C/C(=O)c1ccc2cc(ccc2c1)OC LLK (2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O LLL (2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol +C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O LLM laulimalide +c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO LLN (4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one +C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N LLO n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O LLP (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid +C([C@@H](CS(=O)(=O)O)O)O LLQ (2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid +Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4 LLS (3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O LLT l-deoxythymidine +C[C@@H](C(=O)O)Oc1ccccc1F LLU (2s)-2-(2-fluorophenoxy)propanoic acid +c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N LLX n-(4-aminobiphenyl-3-yl)benzamide +C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N LLY nz-(dicarboxymethyl)lysine +C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N LLZ n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO LM2 4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one +CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4 LM3 n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine +CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4 LM4 n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine +C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O LM5 (3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide +CCn1c(ccn1)CNC LM6 1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine +c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O LM7 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione +CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O LM8 (5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC LMA lankamycin +CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O LMB leptomycin b, bound form +C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C LMC (2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal +CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMD tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +C[C@H](CC(=O)O)[C@@H](C(=O)O)N LME (2s,3r)-2-azanyl-3-methyl-pentanedioic acid +CNC(=S)NCCCC[C@@H](C(=O)O)N LMF nz(n-methyl thioformamide) lysine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC LMG 1,2-distearoyl-monogalactosyl-diglyceride +C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O LMH glucosyl-dolichol phosphate +CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C LMJ (5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O LMK trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium +CC(C)CC(C(=O)O)C(=O)O LML isobutyl malonic acid +Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F LMM n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine +CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O LMN lauryl maltose neopentyl glycol +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O LMO dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside +C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C LMP (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +C[C@@H](CC(=O)N)[C@@H](C(=O)O)N LMQ (3s)-3-methyl-l-glutamine +C([C@@H](C(=O)O)O)C(=O)O LMR (2s)-2-hydroxybutanedioic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N LMS [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMT dodecyl-beta-d-maltoside +CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LMU dodecyl-alpha-d-maltoside +CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4 LMV (2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CCN(CCO)c1ccc(cc1)N LMW 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol +Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F LMY ~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O LMZ 5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione +CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C LN0 methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose +C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O LN1 (3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine +CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N LN4 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea +[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N LN5 n5-(1-iminopropyl)-l-ornithine +[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N LN6 n~5~-[(1e)-pentanimidoyl]-l-ornithine +CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N LN7 n~5~-[(1s)-1-aminopentyl]-l-ornithine +C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl LN8 kiteplatin +CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-] LNA (9e,12z)-10-nitrooctadeca-9,12-dienoic acid +CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-] LNB (9z,12e)-12-nitrooctadeca-9,12-dienoic acid +c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O LNC (3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide +c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O LND 4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium +CCNC(=O)[C@H](CC(C)C)N LNE n-ethyl-l-leucinamide +CC(C)CCCCCCC/C=C\CC(=O)O LNG delta-3isotetradecenoic acid +CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 LNH 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid +COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N LNJ 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine +CCCCC LNK pentane +CCC=CCC=CC\C=C/CCCCCCCC(=O)O LNL alpha-linolenic acid +CC(C)C[C@@H](C(=O)NC)N LNM n-methyl-l-leucinamide +c1ccc(cc1)c2cc(ccc2O)CC(=O)O LNN (6-hydroxybiphenyl-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NO)N LNO l-leucyl-hydroxylamine +C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5 LNP (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol +CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N LNQ 3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione +c1cc(c(cc1[C@H](CN)O)O)O LNR l-norepinephrine +CNC(=O)c1cccc(n1)C(=O)O LNS 6-(methylcarbamoyl)pyridine-2-carboxylic acid +C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O LNT n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O LNV 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNW 2,2'-biphenyl-3,5-diyldiacetic acid +c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O LNX 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid +c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O LNY 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid +Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC LNZ 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide +c1cc(ccc1CN)NC(=O)C(=O)O LO1 [[4-(aminomethyl)phenyl]amino]oxo-acetic acid, +CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O LO2 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC LO3 (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one +CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O LO4 ciglitazone +c1cc2c(cc1CNC[C@H]3CCCO3)OCO2 LO5 1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine +C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F LO6 2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one +CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3 LO7 mitoglitazone +C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 LO8 (2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide +C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C LOA (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid +C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O LOB lobeline +CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LOC n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5 LOD (3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid +C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3 LOE 1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine +c1ccc(cc1)C[C@@H](C(=O)O)O LOF 3-phenyl-lactic acid +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O LOG n-acetylglucosaminono-1,5-lactone (z)-oxime +C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O LOH 3,4-dihydroxylysine +Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C LOI 2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide +c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4 LOJ (3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid +COC(=O)Nc1cccc(c1)NC(=O)OC LOK methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate +CC(C)C[C@@H](C(O)O)N LOL (2s)-2-amino-4-methylpentane-1,1-diol +c1cscn1 LOM thiazole +CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC LON (7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC LOP (1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +Cc1ccc(cc1)N2C(=O)CCC2=O LOQ 1-(4-methylphenyl)pyrrolidine-2,5-dione +c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N LOR loracabef (open form) +c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 LOS lambda-bis(2,2'-bipyridine)imidazole osmium (ii) +c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide +C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N LOU 3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine +CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N LOV 5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid +C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N LOW (5~{s},7~{r})-3-azanyladamantan-1-ol +C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O LOX (2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol +CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O LOY 5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine +c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN LOZ 5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O LP0 (7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP1 4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide +CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O LP2 n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LP3 (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP4 2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LP5 (r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate +C1CCN(CC1)CCCC[C@@H](C(=O)O)N LP6 6-piperidin-1-yl-l-norleucine +CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O LP7 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate +c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O LP8 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one +CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O LP9 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium +C1CSS[C@@H]1CCCCC(=O)O LPA lipoic acid +C1CSS[C@H]1CCCCC(=O)O LPB 5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LPC [1-myristoyl-glycerol-3-yl]phosphonylcholine +C1C[C@H](NC1)C(=O)N LPD l-prolinamide +CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O LPE 1-o-octadecyl-sn-glycero-3-phosphocholine +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C LPF 1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone) +C#C[C@@H](C(=O)O)N LPG (2s)-2-aminobut-3-ynoic acid +C#CC[C@@H](C(=O)O)N LPH l-propargylglycine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O LPI n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine +S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5 LPJ fe(6)-s(7) cluster +C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O LPK l-psicose +CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O LPL leu-hydroxyethylene-leu +C(CCC(=O)N)C[C@H](CCS)S LPM 6,8-dimercapto-octanoic acid amide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl LPN (3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl LPO (3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC LPP 2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate +Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl LPQ (3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O LPR [n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline +CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O LPS o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine +C1CCC(CC1)[NH2][Pt+2][NH3] LPT cis-(ammine)(cyclohexylamine)platinum(ii) complex +CS(=O)(=O)N1CCC(CC1)O LPU 1-(methanesulfonyl)piperidin-4-ol +COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO LPW 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O LPX (2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate +CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O LPY (2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate +Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C LPZ 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone +c1cc(ccc1C(=O)N)C(=O)O LQ2 4-aminocarbonylbenzoic acid +C1=CC(=O)N=CC1OC(F)F LQ3 (5s)-5-(difluoromethoxy)pyridin-2(5h)-one +COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O LQ4 piperlongumine +CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N LQ5 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea +Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3 LQ7 n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO LQ8 (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid +[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N LQA 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile +Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C LQB 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline +Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC LQD (3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine +CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC LQE (3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline +c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2 LQF 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile +c1cc(oc1)CNc2c(ccc3n2cnn3)C#N LQG 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile +c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F LQH 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline +CC1CCN(CC1)C(=O)c2cc3ccccc3o2 LQI (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N LQJ 3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO LQK (1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide +c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH] LQN 2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide +C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F LQP 2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one +CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C LQQ 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one +CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N LQT 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide +Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2 LQV (2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide +c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH] LQW ~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide +COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5 LQY n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide +CCN(CC)CC(=O)Nc1c(cccc1C)C LQZ 2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide +c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br LR1 (1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol +c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH] LR2 ~{n}-pyridin-2-yl-2-selanyl-benzamide +c1cc(ccc1C(=O)N)C(F)(F)F LR5 4-(trifluoromethyl)benzamide +C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O LR7 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +c1cc(ncc1C(=O)N)N2CCOCC2 LR8 6-morpholin-4-ylpyridine-3-carboxamide +CCN(C)C(=O)c1cccc(c1)N LR9 3-amino-n-ethyl-n-methylbenzamide +CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3 LRB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii) +c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O LRD 2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid +Cc1c(c(sn1)N(C)CC(=O)N)C#N LRF n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3 LRG (2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid +C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O LRH 6-deoxy-beta-l-fructofuranose +c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3 LRI 6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine +C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N LRK (2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid +C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O LRM 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium +Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O LRO 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O LRP 2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium +CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F LRQ bridged tetracyclic indole +c1ccc(cc1)CCCC(=O)N2CCOCC2 LRR 1-(morpholin-4-yl)-4-phenylbutan-1-one +Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6 LRS n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine +c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37 LRU lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii) +C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C LRV (8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid +c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O LRW (~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O LRY n-acetylmannosamine-6-phosphate +[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LRZ methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O LS1 n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide +CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O LS2 n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide +c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2 LS3 3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2 LS4 4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2 LS5 3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole +c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO LS6 (2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide +CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C LS7 n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N LS8 4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide +c1ccc2c(c1)C(=O)NS2(=O)=O LSA 1,2-benzisothiazol-3(2h)-one 1,1-dioxide +CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C LSB (4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O LSC (4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide +CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O LSD lasalocid a +C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O LSE 2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside +CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO LSG 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O LSH [(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O LSI ruthenocenyl-7-aminodesacetoxycephalosporanic acid +CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C LSJ n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide +[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O LSK methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate +c1cc(ccc1CNCc2ccsc2)C(=O)NO LSL n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide +CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O LSM dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside +CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl LSN [2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol +C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N LSO (z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine +CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O LSP (7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide +c1cc(cc(c1)Cl)CCC(=O)O LSQ 3-(3-chlorophenyl)propanoic acid +C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C LSR 1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N LSS 5'-o-(l-leucylsulfamoyl)adenosine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O LST [(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N LSU 5'-o-(n-(l-leucyl)-sulfamoyl)uridine +C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO LSV n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O LSW n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan +CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O LSX [(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid +CN(C)C(=O)NNC(=O)N(C)C LSY n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide +CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C LSZ ~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide +c1ccc(cc1)CCCCl LT1 (3-chloropropyl)benzene +C1[C@H](C2=CC(=O)C(=O)C=C2N1)O LT2 (3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione +c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N LT3 (1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine +c1cc(c(cc1[C@H](CN)O)O)O LT4 norepinephrine +c1cc(cc(c1)C(F)(F)F)[C@H](CN)O LT5 (1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol +CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO LT6 2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide +Cc1ccc(cc1)c2nc(on2)CNC(C)C LT7 ~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine +c1ccc(c(c1)C(=O)O)n2cccn2 LT8 2-pyrazol-1-ylbenzoic acid +CCOC(=O)C[C@@H]([C@H](CCCCN)N)O LTA 4,8-diamino-3-hydroxy-octanoic acid ethyl ester +CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O LTB leukotriene b4 +CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC LTC (2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N LTD (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N LTE 1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine +CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO LTF (4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide +C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O LTG l-tagatose +C([C@@H]([C@H](C(=O)O)O)O)O LTH (2r,3s)-2,3,4-trihydroxybutanoic acid +c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N LTI (5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide +C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F LTJ 4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide +Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl LTK ~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide +CCC(=O)CCC(C)(C)O LTL 6-hydroxy-6-methyl-heptan-3-one +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O LTM n-acetyl gluconolactam +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N LTN l-tryptophanamide +c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO LTO (2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide +C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O LTP 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one +Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N LTQ (4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N LTR l-tryptophan +c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F LTS 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine +C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N LTT 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O LTV 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate +CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6 LTW ~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide +CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N LTX (5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid +c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5 LTY n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C LTZ (5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole +[Lu+3] LU lutetium (iii) ion +CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N LU0 sulphamoil leucine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O LU1 4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide +c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one +Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 LU5 ~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N LU7 n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CCC[C@H]1C(=C(CO1)CO)C(=O)O LUB 4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N LUD n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C LUE ~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine +CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C LUF (5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN LUG n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O LUH [4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide +CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO LUJ (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O LUK [4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate +Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 LUM lumichrome +c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F LUN (5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone +Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC LUO n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide +c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4 LUP 5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide +C(CS(=O)(=O)O)NCC(=O)N LUQ n-(2-acetamido)-2-aminoethanesulfonic acid +Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F LUR {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid +CCC1CCC(CC1)N2CCOCC2 LUS 4-(4-ethylcyclohexyl)morpholine +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C LUT (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5 LUV (3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide +c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4 LUW 4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide +CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C LUX (3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol +c1ccc(cc1)CCNc2[nH]c3ccccc3n2 LUY ~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine +c1cnc2c(n1)C(=O)NC(=O)N2 LUZ pteridine-2,4(1h,3h)-dione +c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F LV1 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea +CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O LV2 [(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(c(c1)NC(=S)N)OC(F)(F)F LV4 1-[2-(trifluoromethyloxy)phenyl]thiourea +c1cc(c(cc1N)Cl)Cl LV5 3,4-dichloroaniline +CC(=O)Nc1ccccc1C(=O)NN LV7 ~{n}-[2-(aminocarbamoyl)phenyl]ethanamide +CC(=O)NC[C@@H](C(=O)O)N LV8 (2~{s})-3-acetamido-2-azanyl-propanoic acid +CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C LVA (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid +Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O LVB 3-deoxytolcapone +c1ccc(cc1)CONC(=O)N LVD 1-phenylmethoxyurea +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] LVE 3-o-methyltolcapone +C=C[C@@H](C(=O)O)N LVG l-vinylglycine +C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F LVH (~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid +CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl LVJ 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide +C[C@H](C=O)[C@@H](C(=O)O)N LVN (3s)-4-oxo-l-valine +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O LVO 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid +c1ccc(c(c1)NNC(=O)c2ccno2)F LVP ~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide +C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O LVQ octa-anionic calixarene +CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-] LVS 4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone +c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O LVT octa-anionic calix[4]arene +Cc1ccc(cc1)CN2CCS(=O)(=O)CC2 LVV 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide +C=CCOC[C@H](C[SeH])O LVW (2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol +c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O LVY s-lenalidomide +CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O LVZ propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +c1cc(sc1)C=O LW1 thiophene-2-carbaldehyde +CC(=O)[C@H]([C@@H](c1cccs1)O)O LW2 (3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one +CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 LW4 3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione +C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O LW5 4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide +c1ccc(cc1)CCC2=NCCc3c2cccc3 LW7 1-(2-phenylethyl)-3,4-dihydroisoquinoline +C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O LW8 trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium +CCCCC(CC)CC LW9 3-ethylheptane +c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2 LWA (2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide +Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC LWB 4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole +c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3 LWD ~{n}-quinolin-6-ylbenzamide +c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl LWG 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5 LWH 4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol +c1ccc(c(c1)C[C@@H](C(=O)O)N)CN LWI 2-(aminomethyl)-l-phenylalanine +Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N LWJ [5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone +C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O LWM [(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate +Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC LWN methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate +C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C LWQ ~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide +CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C LWS 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one +c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl LWT 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide +c1ccc(c(c1)N)N2CCOCC2 LWV 2-morpholin-4-ylaniline +c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3 LWW n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide +C[P@](=O)(N1CCC[C@H]1C(=O)O)O LWY 1-[(r)-hydroxy(methyl)phosphoryl]-l-proline +c1c(nn[nH]1)CNC(=O)CC(S)S LWZ 3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide +C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N LX0 4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine +C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O LX1 l-xylulose 5-phosphate +c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5 LX2 [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid +CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O LX3 (1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol +C1CCC(C1)C(=O)N2CCNC(=O)C2 LX4 4-cyclopentylcarbonylpiperazin-2-one +C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O LX5 [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate +c1cc(ccc1NC(=S)N)OC(F)(F)F LX7 1-[4-(trifluoromethyloxy)phenyl]thiourea +CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C LX8 2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate +c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5 LX9 6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one +COCC(=O)NCc1[nH]c2ccccc2n1 LXA ~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide +CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O LXB 2-acetamido-2-deoxy-beta-d-gulopyranose +C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O LXC beta-l-xylopyranose +C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+] LXE [(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium +CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4 LXG 8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccccc1)C(=O)OC LXH methyl (2~{s})-2-phenylpropanoate +c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2 LXJ (3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one +CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C LXL 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea +c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO LXM [(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone +C1(=O)C(=O)NC(=O)NC1=O LXN alloxan +C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O LXP l-xylitol 5-phosphate +CC(=O)N1CC[C@H](C1)C(=O)O LXQ (3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid +CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3 LXS 3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N LXT (2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide +[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br LXV 2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide +c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N LXW (2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide +c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5 LXX 6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline +C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F LXY (4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide +CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O LXZ 2-acetamido-2-deoxy-alpha-d-idopyranose +C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O LY0 (2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +c1cc(c(c2c1CCCNC2)Cl)Cl LY1 8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine +c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4 LY2 2-morpholin-4-yl-7-phenyl-4h-chromen-4-one +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O LY3 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid +CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O LY4 (9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione +C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O LY5 (3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid +C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N LY7 n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide +C[C@H](c1ccccc1)C(=O)OC LY8 methyl (2~{r})-2-phenylpropanoate +[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O LY9 l-arabinaric acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O LYA 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O LYB 2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid +CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C LYC lycopene +CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N LYD 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid +c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O LYE bromophenol blue +C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N LYF (2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O LYG 8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one +C(CN)/C=C/[C@@H](C(=O)O)N LYH 3,4 ene-lysine +C(CCN)C[C@@H](CO)N LYJ (2s)-2,6-diaminohexan-1-ol +C(CCN)C[C@@H](C(O)O)N LYK (2s)-2,6-diaminohexane-1,1-diol +Cc1cccc(c1O)CC=C LYL 2-allyl-6-methyl-phenol +CC(=O)[C@H](CCCCN)N LYM deoxy-methyl-lysine +C(CC[NH3+])C[C@@H](C(=O)N)N LYN 2,6-diamino-hexanoic acid amide +C(CN)C(C[C@@H](C(=O)O)N)O LYO 4-hydroxy-lysine +CCCN(C)CCCCC(C(=O)O)N LYP n~6~-methyl-n~6~-propyl-l-lysine +c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N LYQ (3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C LYR n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine +C(CC[NH3+])C[C@@H](C(=O)O)N LYS lysine +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 l-lysine c-terminal deprotonated fragment +C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H l-lysine c-terminal protonated fragment +C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 l-lysine-c-terminal protonated fragment/with side chain deprotonated nz +C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH l-lysine free neutral +C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 l-lysine-free neutral/with side chain deprotonated nz +C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW l-lysine free zwitterion +C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 l-lysine-free zwitterion/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL l-lysine - linking embedded fragment +C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 l-lysine-linking embedded fragment/with side chain deprotonated nz +C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 l-lysine n-terminal protonated fragment +C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 l-lysine-n-terminal protonated fragment/with side chain deprotonated nz +CCCCN LYT butylamine +CC(C)CCCNCCCC[C@@H](C(=O)O)N LYU n~6~-(4-methylpentyl)-l-lysine +C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N LYV o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide +CCCC[C@@H](C=O)N LYW 1-amino-1-carbonyl pentane +C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O LYX n''-(2-coenzyme a)-propanoyl-lysine +C(C[C@@H](C(=O)O)N)[C@H](CN)O LYZ 5-hydroxylysine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O LZ0 [1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside +c1ccc2c(c1)cn[nH]2 LZ1 1h-indazole +c1cc2c(cccc2S(=O)(=O)N)c(c1)O LZ2 5-hydroxynaphthalene-1-sulfonamide +c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N LZ3 n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide +c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N LZ4 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide +c1ccc(cc1)NC(=O)c2cc[nH]n2 LZ5 n-phenyl-1h-pyrazole-3-carboxamide +c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl LZ6 l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine +CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F LZ7 4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F LZ8 n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F LZ9 {[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F LZA {[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CC(C)Nc1cc(nc2n1ncc2C#N)Cl LZB 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N LZC 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F LZD 4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide +c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl LZE 4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide +CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O LZF 5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl LZG 5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl LZH 5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl LZI (4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide +c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br LZJ 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC LZK 6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine +c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N LZL 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine +c1cnc2c(cnn2c1)C#N LZM pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5 LZP 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione} +c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O LZQ 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid +COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6 LZR 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one +CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC LZS n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC LZT n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide +CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC LZU 10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3 LZV ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate +c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O LZW (4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide +CN1Cc2cc(ccc2NCCC1=O)F LZY 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one +CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O LZZ (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one +CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 M00 n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN M01 1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine +c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N M02 1-(9h-purin-6-yl)piperidin-4-amine +c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M03 1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl M04 1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine +c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl M05 4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N M06 3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile +COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M07 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M08 (5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol +c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-] M09 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N M0A 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine +Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F M0B 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine +c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N M0D 2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O M0E moenomycin +C([C@@H](C(=O)O)N)SCO M0H s-(hydroxymethyl)-l-cysteine +C[C@@H](CNC(=O)Nc1ccccc1)O M0J n-[(2s)-2-hydroxypropyl]-n'-phenylurea +c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2 M0K 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid +CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3 M0M (8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one +c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O M0N (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) +CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C M0P 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione +CNc1ccnc2c1cncc2 M0Q ~{n}-methyl-1,6-naphthyridin-4-amine +CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C M0S 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one +CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C M0T 1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide +CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C M0V 7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +CNc1c2ccccc2ncn1 M0W ~{n}-methylquinazolin-4-amine +c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N M0Y 4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide +COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N M0Z 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide +[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-] M10 (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi) +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N M11 n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine +CC(C)CCCCCCCCC(=O)O M12 10-methylundecanoic acid +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N M14 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I M15 {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N M16 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O M17 methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate +CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl M18 {(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate +C[n+]1cnc2c(c1N)nc[nH]2 M1A 6-amino-1-methylpurine +[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N M1B 2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide +CCCC[C@@H](C(CNC1CC1)(O)O)N M1C (3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol +CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C M1D 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid +CNc1c2c(ccs2)ncn1 M1E ~{n}-methylthieno[3,2-d]pyrimidin-4-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O M1F alpha-maltose 1-phosphate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O M1G 3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate +CNc1ccnc2c1CCCC2 M1H ~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine +C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N M1J 4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine +CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O M1L 2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid +CS(=O)(=O)SCSS(=O)(=O)C M1M 1,1-methanediyl bismethanethiosulfonate +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O M1N (1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O M1P 1-o-phosphono-alpha-d-mannopyranose +C1CCC2=NC(=O)NC(=O)C2C1 M1Q 5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione +CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 M1R 1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one +c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O M1S (5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione +COCC(=O)CCCC(O)O M1T 6,6-dihydroxy-1-methoxyhexan-2-one +CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C M1V mesobiliverdin ix(alpha) +COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3 M1W 3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F M1X {(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile +CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O M1Y (1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol +C1CCN(C1)C2=NC(=O)NC(=O)C2 M1Z 6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione +C\C=C/C=C/CCCCCCCCCO M21 (10e,12z)-tetradeca-10,12-dien-1-ol +c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl M22 3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br M23 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine +c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F M24 5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine +CC(=O)NCCc1ccc(cc1)S(=O)(=O)N M25 n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide +[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-] M27 bis(mu2-oxo)-octaoxo-dimolybdenum (vi) +c1cc(ccc1CCC(=O)O)S(=O)(=O)N M28 3-[4-(aminosulfonyl)phenyl]propanoic acid +CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N M29 ethyl 3-[4-(aminosulfonyl)phenyl]propanoate +CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O M2A [(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +c1ccc(cc1)n2c(c(cn2)C(=O)N)N M2B 5-amino-1-phenylpyrazole-4-carboxamide +CSCC[C@@H](C(c1ccccn1)(O)O)N M2C (2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol +C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C M2D madumycin ii +c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl M2E (4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F M2F 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside +CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 M2G n2-dimethylguanosine-5'-monophosphate +Cc1cc([nH]c1C#N)C M2H 3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile +C1CCc2c(c([nH]n2)C(=O)O)C1 M2K 4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid +CN(C)CCSC[C@@H](C(=O)O)N M2L (2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid +COCCOCCOC M2M 1-methoxy-2-(2-methoxyethoxy)ethane +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N M2N 5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O M2P d-mannitol-1,6-diphosphate +CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N M2S 3-{[(r)-methylsulfinyl]methyl}-l-valine +CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M2T 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O M2V [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC M2W delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O M2Y [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4 M2Z 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine +C1CCC(CC1)NCC(=O)O M30 n-cyclohexylglycine +c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl M31 n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M32 n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O M33 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine +CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M34 n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F M35 1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C M36 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid +c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N M37 1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide +c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O M38 4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate +Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F M39 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N M3A 5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide +COCCN[C@@H](N)NCCCCN M3B (1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine +CSCC[C@@H](C(c1nccs1)(O)O)N M3C (2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol +c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5 M3D 7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=O)N2 M3E 6-phenyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F M3F 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C2=NCCN2 M3H 2-phenyl-4,5-dihydro-1~{h}-imidazole +Cc1cc(no1)N M3I 5-methyl-1,2-oxazol-3-amine +c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br M3J 6-bromo-n~2~-phenylquinazoline-2,4-diamine +c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F M3K 2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide +C[N+](C)(C)CCCC[C@@H](C(=O)O)N M3L n-trimethyllysine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O M3M 3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose +c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO M3N 4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole +CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O M3O 3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate) +CC(=O)\C=C\C=C(/C(=O)O)\O M3P (2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid +c1cc2cccnc2c(c1)CP(=O)(O)O M3Q [(quinolin-8-yl)methyl]phosphonic acid +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O M3R methyl phosphonated l-arginine +Cc1cccc(c1OC(=O)C)C(=O)O M3S 2-(acetyloxy)-3-methylbenzoic acid +Cc1cccc(c1)S M3T 3-methylbenzenethiol +C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O M3V {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C M3W 8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N M3Y 5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide +CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2 M3Z 6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O M40 (1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3 M41 n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +CC1=CC(=O)Nc2c1ccc3c2OCO3 M42 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O M43 (17[2]s)-17[2]-methylthio-coenzyme f43 +CC(C)NP(=O)(NC(C)C)O M44 n,n'-bis(1-methylethyl)phosphorodiamidic acid +c1nc([nH]n1)N[C@H]2CCCN2 M45 ~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine +c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N M46 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine +c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N M48 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine +CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C M49 n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide +Cc1cc(c2ccccc2n1)N M4A 2-methylquinolin-4-amine +CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-] M4B 6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one +CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC M4C n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate) +CCCCCc1cc2c(cccc2nc1N)CCCCN M4D 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine +CNC(=O)c1c2ccccc2[nH]n1 M4E ~{n}-methyl-2~{h}-indazole-3-carboxamide +c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O M4G [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O M4H 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid +c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F M4J n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide +c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3 M4K 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N M4M 1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid +CNC(=O)c1cc(n[nH]1)c2ccccc2 M4N ~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O M4O (2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid +c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N M4P [4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid +CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 M4Q 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N M4R 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile +COc1ccc(cc1)S(=O)(=O)N M4S 4-methoxybenzenesulfonamide +CC(=O)Nc1cccnc1 M4T ~{n}-pyridin-3-ylethanamide +c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N M4V 2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C M4Y parthenolide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N M4Z (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 M51 {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone +C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br M52 n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide +c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN M54 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one +c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O M55 benzyl alpha-d-glucopyranuronate +c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N M57 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid +c1cc(cnc1)[C@H](N)S M58 (~{r})-azanyl(pyridin-3-yl)methanethiol +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N M59 [(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol +C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O M5A (2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid +c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2 M5B ~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide +COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O M5C dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate +C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N M5D 5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile +c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O M5E (~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol +C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F M5F 1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c([nH]n2)C3NCCN3 M5H 3-imidazolidin-2-yl-2~{h}-indazole +CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F M5J 1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one +Cc1cc(nc2c1cccc2)N M5K 4-methylquinolin-2-amine +CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O M5M 2'-(n-acetamide)-cytidine-5'-monophosphate +CC(C)C1=NC(=O)N=C2C1CCCC2 M5N 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one +c1ccc(cc1)CCC[C@H](CS)C(=O)O M5P (s)-2-(mercaptomethyl)-5-phenylpentanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O M5T 5-methyluridine triphosphate +c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N M5V 4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile +CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N M5W 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide +c1cc(c(cc1F)F)CN M5Y 1-(2,4-difluorophenyl)methanamine +c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O M5Z (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside +CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2 M60 (4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid +CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 M61 n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide +c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N M62 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine +C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N M64 (2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid +CCOC(=O)CCCCCCn1ccnc1 M65 ethyl 7-imidazol-1-ylheptanoate +CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C M66 (1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N M67 (2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide +c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N M68 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine +[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6A (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6B (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O M6D 6-o-phosphono-beta-d-mannopyranose +[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6E (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate +[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC M6F (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate +[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC M6G (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate +c1ccc(cc1)CC2NCCN2 M6H 2-(phenylmethyl)imidazolidine +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N M6J (2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F M6M n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CC1=Nc2cnccc2C(=O)N1 M6N 2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] M6O lauric acid functionalized hexamolybdoaluminate +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O M6P 6-o-phosphono-alpha-d-mannopyranose +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N M6Q (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O M6R 5-amino-5-deoxy-1-o-phosphono-d-mannitol +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N M6S (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-] M6T 6'-methyl-thiamin diphosphate +[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC M6V (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate +CNC(=O)[C@H]1CCNC1 M6W (3~{s})-~{n}-methylpyrrolidine-3-carboxamide +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F M6Y n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) +CNC(=O)c1c2cc(ccc2[nH]n1)I M6Z 5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide +CO[C@H](c1ccccc1)[C@H](C(=O)O)O M72 (2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC M73 methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate +c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O M74 (2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid +c1c(nc[nH]1)S(=O)(=O)NC2CC2 M75 ~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide +c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F M76 n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 M77 5-(1,4-diazepan-1-sulfonyl)isoquinoline +Cc1c([nH]c2c1cc(cc2)C(=O)NC)C M78 ~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide +CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O M7A 7-methyl, adenosine-5'-monophosphate +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O M7B 7-o-phosphono-d-glycero-beta-d-manno-heptopyranose +c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M7C n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide +C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N M7D n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C M7E 1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3 +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O M7G 7n-methyl-8-hydroguanosine-5'-diphosphate +CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC M7H 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone +c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N M7K 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine +CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O M7M n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate) +CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3 M7N ~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide +c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O M7O 2-[(phenylmethyl)carbamoylamino]benzoic acid +C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O M7P 7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O M7R (2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O M7S (2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4 M7T ~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O M7U (2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate +CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O M7V (1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid +CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC M7W 4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide +CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C M7Y (2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl M7Z 4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3 M80 3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid +c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl M81 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I M82 4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide +c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N M83 5-(3-cyanophenyl)furan-2-carboxylic acid +c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O M84 3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid +CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M85 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC M86 2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N M87 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine +CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O M88 1-(8z-hexadecenoyl)-rac-glycerol +c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O M8A benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate +CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8B methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O M8C methyl alpha-d-galactopyranuronate +CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN M8D 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine +C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O M8E 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine +CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N M8F n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine +c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO M8G n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N M8J 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4 M8K 4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N M8M 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine +Cc1cc(ccc1NCNO)CCC(C)C M8N ~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine +C(C(=O)CC(=O)O)C(=O)C=CC(=O)O M8O 4-maleylacetoacetic acid +c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O M8P n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide +CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O M8Q 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N M8S 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N M8T 2'-fluoro-,3',3'-c-di-amp +c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N M8V 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O M8Y methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N M8Z 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M90 (2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N M91 (2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate +CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N M92 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide +CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N M94 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine +c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2 M95 (2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO M96 (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6 M97 1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium +c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M98 (s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide +c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O M99 (r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide +c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F M9A 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C M9B 1-alpha-hydroxy-vitamin d3 +C[C@@H](c1[nH]c(cn1)c2ccccc2F)N M9D (1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine +CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC M9E 2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC M9F (2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid +Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F M9G n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide +CNCC(=O)NCc1cccc(c1)CNC(=O)CNC M9H 2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7 M9J n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine +c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3 M9K 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid +Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C M9M 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one +Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl M9N 2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid +C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N M9P amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium +CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O M9Q ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate +c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 M9S 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole +Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC M9T 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one +C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O M9W enmetazobactam derived trans-enamine adduct. +c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F M9Y 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4 M9Z ~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +C[C@@H](C(=O)OC)N MA methyl l-alaninate +C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O MA0 (1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O MA1 1,4-dithio-alpha-d-glucopyranose +CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO MA2 4-s-methyl-4-thio-alpha-d-glucopyranose +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O MA3 methyl 4-thio-alpha-d-glucopyranoside +C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA4 cyclohexyl-hexyl-beta-d-maltoside +C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O MA5 2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MA6 6n-dimethyladenosine-5'-monophoshate +C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MA7 1n-methyladenosine-5'-monophosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O MA8 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside +CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F MA9 (3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine +C[C@@H](C(=O)O)NC MAA n-methyl-l-alanine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O MAB mannobiose +CC(=O)O[Hg+] MAC mercury acetate ion +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C MAD 6-hydro-1-methyladenosine-5'-monophosphate +C(=C/C(=O)O)/C(=O)O MAE maleic acid +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O MAF 2-deoxy-2-fluoro-alpha-d-mannopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O MAG methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +CC(CC(=O)O)(CC(=O)O)O MAH 3-hydroxy-3-methyl-glutaric acid +C[C@H]([C@H](CCCNC(=N)N)N)O MAI deoxo-methylarginine +c1cc2c(cc1S(=O)(=O)N)CCC2 MAJ indane-5-sulfonamide +C(=O)(C(=O)O)C(=O)O MAK alpha-ketomalonic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O MAL maltose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MAM 1-o-methyl-alpha-d-mannose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O MAN alpha-d-mannopyranose +C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MAO 5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N MAP magnesium-5'-adenyly-imido-triphosphate +Cc1cccc2c1NC(=NC2=O)N MAQ 2-amino-8-methylquinazolin-4(3h)-one +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O MAR 4'-epi-4'-(2-deoxyfucose)daunomycin +CN(C)S(=O)(=O)O MAS dimethylsulfamic acid +CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O MAT 2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose +CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O MAU n-methyl kirromycin +[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O MAV alpha-d-mannopyranuronic acid +C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O MAW 4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid +COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O MAX matairesinol +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F MAY methyl arachidonyl fluorophosphonate +c1cc(cc(c1)N)COC=O MAZ formic acid 3-amino-benzyl ester +Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C MB0 (4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl MB1 2-chloro-5-nitrobenzenesulfonamide +c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB2 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CN1CCCC1=O MB3 1-methylpyrrolidin-2-one +Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB4 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C MB5 (5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl MB6 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N MB7 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide +C/C=C(/C)\C(=O)O MB8 (2z)-2-methylbut-2-enoic acid +Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl MB9 (4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile +CC[C@H](C)CN MBA 2-methylbutylamine +Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C MBB 2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole +[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N MBC 2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide +Cc1cccc(c1O)O MBD 3-methylcatechol +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O MBE 4-nitrophenyl beta-d-mannopyranoside +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O MBF 2-deoxy-2-fluoro-beta-d-mannopyranose +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MBG methyl beta-d-galactopyranoside +C[N@@+](Cc1ccccc1)(CC(=O)O)N MBH (1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium +CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3 MBK ~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +CCCCCn1cc(nc1N)c2ccccc2 MBL 1-pentyl-4-phenyl-imidazol-2-amine +Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5 MBM n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide +Cc1ccccc1 MBN toluene +c1cc(ccc1C(=O)O)[Hg] MBO mercuribenzoic acid +CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N MBP 1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol +Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N MBQ 2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine +C(Br)(Br)Br MBR tribromomethane +COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC MBS r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid +CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C MBT 3,7-bis(dimethylamino)phenothiazin-5-ium +CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C MBV mesobiliverdin iv alpha +Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5 MBW 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one +C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C MBX ~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide +c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O MBY (2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol +Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O MBZ 1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N MC 1,2-cis-1-hydroxy-2,7-diamino-mitosene +C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MC0 (s)-methylmalonyl-coenzyme a +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C MC1 methicillin acyl-serine +[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N MC2 n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC MC3 1,2-dimyristoyl-rac-glycero-3-phosphocholine +C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C MC4 2-methylacetoacetyl coa +c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F MC5 (5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O MC8 2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid +C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C MC9 calcipotriol +C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MCA methylmalonyl-coenzyme a +CC=O MCB methylene carbonyl group +C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O MCD methylmalonyl(carbadethia)-coenzyme a +CCCl MCE chloroethyl group +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O MCF (8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol +C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N MCG (s)-(alpha)-methyl-4-carboxyphenylglycine +C(Cl)(Cl)Cl MCH trichloromethane +c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O MCI (2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid +c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O MCJ n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O MCK n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine +C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O MCL nz-(1-carboxyethyl)-lysine +CC1=CC(=O)Oc2c1ccc(c2)N MCM 7-amino-4-methyl-chromen-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O MCN pterin cytosine dinucleotide +C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O MCO 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid +C[C@@H]1CCN[C@H](C1)C(=O)O MCP 2-carboxy-4-methylpiperidine +CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N MCQ {(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C(C(=O)O)S MCR sulfanylacetic acid +C([C@@H](C(=O)O)N)SC(=O)CC(=O)O MCS malonyl cysteine +Cc1ccc(c(c1)O)O MCT 4-methylcatechol +CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O MCU methyl 4-o-methyl-beta-d-glucopyranuronate +COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC MCV 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine +COC1=CC(=O)C=CC1=O MCW 2-methoxycyclohexa-2,5-diene-1,4-dione +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C MCX (1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O MCY 5-methyl-2'-deoxycytidine +C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O MCZ (1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol +C[C@H](CCN)[C@H](C(=O)O)N MD0 5-amino-d-isoleucine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N MD1 phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester +C=C=CCNCCCCNCC=C=C MD2 n,n'-bis(2,3-butadienyl)-1,4-butane-diamine +c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD3 n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine +C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C MD4 (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane +c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O MD5 n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine +c1cc(c(nc1)C(=O)NCC(=O)O)O MD6 n-[(3-hydroxypyridin-2-yl)carbonyl]glycine +c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N MD7 (2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N MD8 (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O MD9 magnesium deuteroporphyrin ix +C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O MDA 2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC MDB (s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O MDC n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide +C(C=O)C=O MDD malonaldehyde +CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O MDE 5-mercaptoethanol-2-decenoyl-coenzyme a +COC(=O)[C@H](c1cc(cc(c1)O)O)N MDF meta, meta'-di-hydroxy-phenylalanine +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O MDG 7n-methyl-8-hydroguanosine-5'-diphosphate +C\C=C(\C(=O)O)/NC MDH n-methyldehydrobutyrine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O MDJ 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one +CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N MDK 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F MDL [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine +C(P(=O)(O)O)P(=O)(O)O MDN methylenediphosphonic acid +C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N MDO {2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O MDP n-carboxyl-n-methyl-beta-muramic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O MDQ 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate) +Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O MDR 9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine +CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N MDS n-[methionyl]-n'-[adenosyl]-diaminosulfone +CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MDU 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate) +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O MDV (7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol +COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O MDW (1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide +C(CCCCCS)CCCCC(=O)O MDX 11-mercaptoundecanoic acid +C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O MDY (2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide +CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N MDZ n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid +C(CSCO)[C@@H](C(=O)O)N ME0 hydroxy-l-methionine +c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O ME1 5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide +CCOCCOCCOC ME2 1-ethoxy-2-(2-methoxyethoxy)ethane +CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O ME3 ruthenium-pyridocarbazole-3 +c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O ME4 3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide +c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O ME5 5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide +C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N ME6 [(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate +C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O ME7 1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione) +CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N ME8 [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate +C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O ME9 1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione) +CN[C@@H](Cc1ccccc1)C(=O)O MEA n-methylphenylalanine +CC(=C)C MEB 2-methylprop-1-ene +CCNC(=O)OC MEC ethyl-carbamic acid methyl ester +CSCC[C@H](C(=O)O)N MED d-methionine +CS MEE methanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N MEF n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid +C[C@@H](CC(=O)O)[C@@H](C(=O)O)N MEG (2s,3s)-2-azanyl-3-methyl-pentanedioic acid +C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C MEI (2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid +C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2 MEJ 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide +c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO MEK 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide +c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N MEL [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O MEM (4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid +CNC(=O)C[C@@H](C(=O)O)N MEN n-methyl asparagine +O.O MEO oxygens bound to met sd +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O MEP phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester +CNC(=O)CC[C@@H](C(=O)O)N MEQ n5-methylglutamine +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O MER (4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid +C1COCC[NH+]1CCS(=O)(=O)[O-] MES 2-(n-morpholino)-ethanesulfonic acid +CSCC[C@@H](C(=O)O)N MET methionine +CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 l-methionine c-terminal deprotonated fragment +CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H l-methionine c-terminal protonated fragment +CSCC[C@@H](C(=O)O)N MET_LFOH l-methionine free neutral +CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW l-methionine free zwitterion +CSCC[C@@H]([C-]=O)[NH-] MET_LL l-methionine - linking embedded fragment +CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 l-methionine n-terminal protonated fragment +COC(=O)CN MEU o-methyl-glycine +C[C@@](CCO)(CC(=O)[O-])O MEV (r)-mevalonate +CC1=Nc2ccccc2C(=O)N1 MEW 2-methylquinazolin-4(3h)-one +c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O MEX 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl MEY n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide +C/C(=C\C(=O)O)/C(=O)O MEZ (2e)-2-methylbut-2-enedioic acid +CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O MF1 [(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid +C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O MF2 cis-2,6-dimethylmorpholinooctylcarbamyleseroline +C(CSC(F)(F)F)[C@@H](C(=O)O)N MF3 2-amino-4-trifluoromethylsulfanyl-butyric acid +F[Mg-2](F)(F)F MF4 tetrafluoromagnesate(2-) +C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F MF5 1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine +CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MF7 n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +[H]/N=C(/N)\N/C(=N\[H])/N(C)C MF8 metformin +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFA alpha-l-1-methyl-fucose +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O MFB methyl beta-l-fucopyranoside +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O MFC 5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one +C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC MFD (2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid +c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl MFE ~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine +[H]/N=C/C(=C)CCc1ccc(cc1)F MFG (1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine +c1cc(ccc1C[C@@H](CNC(=O)O)N)O MFH [(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid +CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O MFJ [(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MFK decanoyl-coa +c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl MFM (e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid +c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O MFN n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine +CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N MFO [(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O MFP ((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O MFQ ((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile +COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MFR 4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MFT 3-methylthymidine 5'-(dihydrogen phosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O MFU methyl alpha-l-fucopyranoside +Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O MFV {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C1CCC(=O)C1 MFW cyclopentanone +COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O MFX 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(ccc1CNCCS(=O)(=O)O)Cl MFY 2-[(4-chlorobenzyl)amino]ethanesulfonic acid +c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl MFZ 3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol +[Mg+2] MG magnesium ion +c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N MG0 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol +CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N MG1 2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate) +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F MG2 (2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide +CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N MG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MG7 7-methylguanosine +CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O MG8 n-octanoyl-n-methylglucamine +CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N MG9 2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O MGA beta-methyl-d-galactoside +[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C MGB methylglyoxal bis-(guanylhydrazone) +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O MGC methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N MGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC MGE (1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate +F[Mg-](F)F MGF trifluoromagnesate +C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N MGG 2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid +COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2 MGH methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate +Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O MGI methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate +CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGJ n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O MGK methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MGL methyl beta-d-glucopyranoside +CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C MGM 2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate +C[C@](CCC(=O)N)(C(=O)O)N MGN 2-methyl-glutamine +C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGO [[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O MGP 7-methyl-guanosine-5'-triphosphate +c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O MGQ 7-benzyl guanine monophosphate +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3 MGR malachite green +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O MGS methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O MGT 7n-methyl-8-hydroguanosine-5'-triphosphate +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F MGV p-fluoro-7-benzyl guanine monophosphate +COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O MGW methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate +[H]/N=C(/N)\NC MGX 1-methylguanidine +CNCC(=O)O MGY n-methylglycine +c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MGZ (2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C MH0 mesoheme +Cn1cc(nc1)C[C@@H](C(=O)O)N MH1 1-methyl-l-histidine +O[Mn+2] MH2 manganese ion, 1 hydroxyl coordinated +O[Mn+3] MH3 manganese ion, 1 hydroxyl coordinated +Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3 MH4 1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1ccc(s1)CNc2cccc(c2)C(=O)O MH5 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid +[H]/N=C(\CO)/C(=O)O MH6 3-hydroxy-2-iminopropanoic acid +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC MH7 n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide +C[C@](CCCC=C)(C(=O)O)N MH8 (2s)-2-amino-2-methylhept-6-enoic acid +CCCCCCC/C=C/C=C/C(=O)O MH9 (2e,4e)-dodeca-2,4-dienoic acid +C(C(=O)N)N(CC(=O)O)CC(=O)O MHA (carbamoylmethyl-carboxymethyl-amino)-acetic acid +Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O MHB 2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid +c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS MHC 3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one +Cn1cc(c2c1cccc2)O MHD 1-methyl-1h-indol-3-ol +CC(C)(C)CCC(=O)C(=O)O MHE 5,5-dimethyl-2-oxohexanoic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N MHF 5,10-methenyl-6,7,8-trihydrofolic acid +CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MHG 2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate +CCCCCC[P@@](=O)(O)OC MHH methyl hydrogen (r)-hexylphosphonate +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N MHI l-ala-gamma-d-glu-meso-diaminopimelic acid +c1ccc2c(c1)cccc2S(=O)(=O)N MHK naphthalene-1-sulfonamide +CC(C)(C[C@@H](C(=O)O)NC)O MHL n-methyl-4-hydroxy-leucine +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MHM [7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron +CC(C)CCCCCO MHN 6-methylheptan-1-ol +C[S@](=O)CC[C@@H](C(=O)O)N MHO s-oxymethionine +C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C MHQ desmosterol +CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N MHR 4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine +Cn1cncc1C[C@@H](C(=O)O)N MHS n1-methylated histidine +CS[C@@H]1CN2CCC1CC2 MHT (3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane +CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O MHU 4-n,n-(dimethylamino)-l-phenylalanine +C1CN[C@@H](CC1=O)C(=O)O MHV 4-oxo-l-pipecolic acid +c1cc(c(nc1)C(=O)O)O MHW 3-hydroxypicolinic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O MHY {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MHZ 5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine +CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F MI0 (3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide +C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N MI1 3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile +[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N MI2 2-(2-methylphenyl)-1h-indole-5-carboximidamide +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O MI3 3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate) +C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C MI4 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5 MI5 n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine +CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl MI6 (2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C MI9 oxomolybdenum mesoporphyrin ix +CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C MIA 2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate +CC(=O)\C=C\c1cn(c2c1cccc2)C MIB (3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one +C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O MIC alpha-methylisocitric acid +[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N MID 1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O MIF (5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one +C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O MIG (2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol +c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl MIH 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C MII methicillin +c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N MIK methyl isonicotinimidate lysine +CC1=C(C=C(C(=O)N1)C#N)c2ccncc2 MIL milrinone +Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3 MIM [cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine +CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N MIN methyl-phe-pro-amino-cyclohexylglycine +Cc1cc(on1)N MIO 3-methyl-1,2-oxazol-5-amine +CC(C)OP(=O)(O)O MIP monoisopropyl ester phosphonic acid +CCO[P@](=O)(O)OC[C@@H](C(=O)O)N MIR monoethylphosphorylserine +CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N MIS monoisopropylphosphorylserine +C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C MIT amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium +c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F MIU n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide +CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC MIV mycinamicin iv +c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO MIX 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione +CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O MIY (4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide +Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C MIZ 1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O MJ1 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1cc(cc(c1)S(=O)(=O)N)C MJ2 3,5-dimethylbenzenesulfonamide +Cc1ccc(s1)CNC[C@@H](C)O MJ4 (2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol +Cc1ccc(c(c1)O)Oc2ccccc2 MJ5 5-methyl-2-phenoxyphenol +c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O MJ7 5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O MJ8 5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine +C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O MJA (3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid +C1CN(CCN1)CCO MJB 2-piperazin-1-ylethanol +C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MJC dolichyl phosphate mannose +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C MJD (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O MJE 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid +c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O MJF [(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid +Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC MJG n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N MJH (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide +CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC MJI 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O MJJ methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N MJK (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4 MJM (4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one +c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N MJP 2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide +Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C MJQ n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide +B([C@H](CCCC[NH3+])N)(O)OC MJS (5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium +c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N MJT anthracene-9-sulfonamide +c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5 MJU (3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine +c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F MJV n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide +c1ccc(cc1)COc2ccccc2N MJW 2-phenylmethoxyaniline +C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br MJY 4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N MJZ (2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MK0 1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5 MK1 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N MK2 n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine +C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N MK3 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide +c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br MK4 {5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC MK5 2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C MK6 (5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2 MK7 (2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide +CCCC[C@@](C)(C(=O)O)N MK8 2-methyl-l-norleucine +CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C MK9 n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide +C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F MKA 4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide +c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5 MKB 6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one +CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2 MKC 6-benzyl-1-ethoxymethyl-5-isopropyl uracil +CCCCCC[C@@](C)(C(=O)O)N MKD (2s)-2-amino-2-methyloctanoic acid +CC(=O)[C@H](CCC(=O)O)N MKE (4s)-4-amino-5-oxohexanoic acid +C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F MKG 4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide +c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O MKH 1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione +Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F MKK 1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone +CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C MKM 3beta-(2-diethylaminoethoxy)androst-5-en-17-one +c1cc(sc1)c2ccc(s2)c3cc[nH]n3 MKN 3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole +Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4 MKP 3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide +c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3 MKQ 3,5-diphenylbenzenesulfonamide +CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F MKR 1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C MKS 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C MKT 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one +CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C MKU 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one +c1c(c(c([nH]1)Br)Br)Br MKV 2,3,4-tribromo-1h-pyrrole +CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl MKW 1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one +[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC MKY ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl MKZ 1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one +c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N ML0 4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine +CC(=O)NCCc1c[nH]c2c1cc(cc2)OC ML1 n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide +CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC ML2 n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide +C[N+](C)(C)CCSC[C@@H](C(=O)O)N ML3 2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium +Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N ML4 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine +CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N ML5 {(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid +c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N ML6 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine +c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3 ML7 n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4 ML8 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO ML9 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one +C(C(=O)O)C(=O)O MLA malonic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O MLB 6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O MLC malonyl-coenzyme a +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C MLD glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala +CC(C)C[C@@H](C(=O)O)NC MLE n-methylleucine +C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C MLG n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine +CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O MLH ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate +C(C(=O)[O-])C(=O)[O-] MLI malonate ion +c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F MLJ ~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide +CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C MLK methyllycaconitine +CC(C)C[C@@H](C(=O)OC)N MLL methyl l-leucinate +C(C(=O)N)C(=O)O MLM 3-amino-3-oxopropanoic acid +CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O MLN (s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide +C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O MLO 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol +C1CC1(N)[P@](=O)(O)[O-] MLP 1-aminocyclopropylphosphonate +CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl MLQ (2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O MLR maltotriose +Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2 MLS 2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +C([C@H](C(=O)O)O)C(=O)O MLT d-malate +CC(C)C[C@H](C(=O)O)NC MLU n-methyl-d-leucine +c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 MLV 2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O MLW 4-chloranyl-5~{h}-cyclohepta[b]indol-10-one +c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-] MLX n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide +CN(C)CCCC[C@@H](C(=O)O)N MLY n-dimethyl-lysine +CNCCCC[C@@H](C(=O)O)N MLZ n-methyl-lysine +CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC MM0 n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine +C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3 MM1 1,4,8,11-tetraaza-cyclotetradecane cu(ii) +c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8 MM2 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2 +CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C MM3 n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide +O=[Mo]=O MM4 molybdenum (iv) oxide +c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8 MM5 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii) +C1CN2CCN3[Ni]24N(C1)CCN4CCC3 MM6 nickel(ii)(1,4,8,11-tetraazacyclotetradecane) +Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MM7 (1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol +Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4 MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N MM9 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O MMA methyl alpha-d-mannopyranoside +CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O MMB (2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid +C[Hg+] MMC methyl mercury ion +CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4 MMD 5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN[C@@H](CCSC)C(=O)O MME n-methyl methionine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O MMF dtdp-3-n-methylamino-3,6-dideoxygalactose +c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O MMG 4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid +Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C MMH n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide +CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C MMI n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide +Cc1c(sc(n1)c2ccccc2)CNC MMJ n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine +CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O MMK 2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid +Cc1ccc(cc1)C(C)C MML 1-methyl-4-(1-methylethyl)benzene +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O MMM (s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid +CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O MMN 5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC MMO n~2~-methyl-l-arginine +CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C MMP n-methylmesoporphyrin +C(P(=O)([O-])[O-])S MMQ mercaptomethyl phosphonate +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C MMR methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside +C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N MMS mimosine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O MMT 5'-o-(dimethylamino)-thymidine +CNC(=O)NC MMU 1,3-dimethylurea +CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O MMV 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F MMW 2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide +c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 MMY 5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine +CN1C=CNC1=S MMZ 1-methyl-1,3-dihydro-2h-imidazole-2-thione +[Mn+2] MN manganese (ii) ion +CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O MN0 methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CNCCC1C(=O)O MN1 4-carboxypiperidine +c1cc(ccc1C[NH3+])CNCCC(=O)O MN2 1-carboxyethylaminomethyl-4-aminomethylbenzene +[Mn+3] MN3 manganese (iii) ion +[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2] MN5 manganese ion, 5 waters coordinated +[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2] MN6 manganese ion, 6 waters coordinated +CC(C)CNCc1ccc(cc1)C(=O)O MN7 1-carboxy-4-isobutylaminomethylbenzene +CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O MN8 2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine +CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O MN9 2-(acetylamino)-2-deoxy-d-mannose +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O MNA 2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid +c1cc(c(cc1S)C(=O)O)[N+](=O)[O-] MNB 5-mercapto-2-nitro-benzoic acid +C[N+]#[C-] MNC methyl isocyanide +CNC(=O)C[C@H](C(=O)O)N MND n-methyl-d-asparagine +C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O MNG menogaril +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C MNH manganese protoporphyrin ix +CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O MNI n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide +c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F MNJ 4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide +CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C MNK (2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one +CC[C@@H](C)C[C@@H](C(=O)O)NC MNL 4,n-dimethylnorleucine +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO MNM (2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine +c1ccc(cc1)[C@@H](C#N)O MNN (s)-mandelic acid nitrile +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2 MNO (3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide +c1cc(cc(c1)[N+](=O)[O-])CC(=O)O MNP 2-(3-nitrophenyl)acetic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F MNQ m-nitrophenyl aminoethyldiphosphate beryllium trifluoride +Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C MNR protoporphyrin ix containing mn +CN(C)c1cccc2c1cccc2S(=O)(=O)N MNS 5-(dimethylamino)-1-naphthalenesulfonamide +CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N MNT 2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate +CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O MNU (2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate +CC(C)[C@@H](C(=O)N)NC MNV n-methyl-c-amino valine +c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O MNX 1,8-di-hydroxy-4-nitro-xanthen-9-one +c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N MNY 5,8-di-amino-1,4-dihydroxy-anthraquinone +C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O MNZ (4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid +[Mo] MO molybdenum atom +C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O MO0 mannopine +[OH2][Mg+2] MO1 magnesium ion, 1 water coordinated +[OH2][Mg+2][OH2] MO2 magnesium ion, 2 waters coordinated +[OH2][Mg+2]([OH2])[OH2] MO3 magnesium ion, 3 waters coordinated +[OH2][Mg+2]([OH2])([OH2])[OH2] MO4 magnesium ion, 4 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2] MO5 magnesium ion, 5 waters coordinated +[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2] MO6 magnesium ion, 6 waters coordinated +[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-] MO7 bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi) +Cc1c2c(nc(n1)N)CCSC2 MO8 4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine +c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F MO9 (1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate +Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2 MOA mycophenolic acid +COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O MOB 2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid +CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N MOC carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester +CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MOD l-methionyl adenylate +COCC[O-] MOE methoxy-ethoxyl +C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C MOF mometasone furoate +Cc1nc2c(o1)N=C(NC2=O)N MOG 5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one +CO MOH methanol +C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O MOI (7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol +Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F MOJ (5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime +Cc1c(c(no1)c2ccccc2)C(=O)O MOK 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid +c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N MOL 3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one +O[Mo](=O)=O MOM hydroxy(dioxo)molybdenum +c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O MON 4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol +[O-][Mo](=O)(=O)[O-] MOO molybdate ion +CC(C)CCC=O MOP 4-methylpentanal +C1COCCN1C(=O)O MOR morpholine-4-carboxylic acid +O=[Mo](=O)S MOS dioxothiomolybdenum(vi) ion +C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MOT n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O MOU (1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid +CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C MOV amg 510 (bound form) +O=[Mo]S MOW oxo(sulfanyl)molybdenum(iv) ion +CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O MOX (2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3 MOY [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone +C/C(=C(\C(=O)O)/N)/O MOZ (2z)-2-amino-3-hydroxybut-2-enoic acid +CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC MP0 (2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide +CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C MP1 n-methylmesoporphyrin containing copper +c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O MP2 n-[(benzyloxy)carbonyl]-l-cysteinylglycine +C([C@H](C(=O)O)O)OP(=O)(O)O MP3 3-phosphoglyceric acid +Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O MP4 (2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid +Cc1ncc(c(n1)N)COP(=O)(O)O MP5 (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate +C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5 MP6 4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one +c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F MP7 1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide +C[C@@H]1C[C@H](NC1)C(=O)O MP8 (4r)-4-methyl-l-proline +c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N MP9 2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid +CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C MPA (1r)-menthyl hexyl phosphonate group +COC(=O)c1ccc(cc1)O MPB 4-hydroxy-benzoic acid methyl ester +CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C MPC (1s)-menthyl hexyl phosphonate group +C[C@@H](CC(C)(C)O)O MPD (4s)-2-methyl-2,4-pentanediol +c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS MPE (1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid +CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O MPG [(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate +CSCC[C@H](N)P(=O)(O)O MPH (1-amino-3-methylsulfanyl-propyl)-phosphonic acid +c1cc[n+]2cc[nH]c2c1 MPI imidazo[1,2-a]pyridine +CSCC[C@H](N)[P@H](=O)O MPJ (1-amino-3-methylsulfanyl-propyl)-phosphinic acid +Cc1c(c(no1)c2ccccc2)CO MPK (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O MPL n-methyl-pyridoxal-5'-phosphate +CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O MPM (1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid +C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O MPN phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester +C1COCCN1CCCS(=O)(=O)O MPO 3[n-morpholino]propane sulfonic acid +COc1ccc(cc1OC)CCC(=O)O MPP 3-(3,4-dimethoxyphenyl)propionic acid +CN[C@@H](c1ccccc1)C(=O)O MPQ n-methyl-alpha-phenyl-glycine +C(CS)C=O MPR 2-mercapto-propion aldehyde +C[P@H](=O)O MPS methylphosphinic acid +C(CS)C(=O)O MPT beta-mercaptopropionic acid +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O MPU d-monapterin +Cn1c(cc(n1)c2cccs2)N MPV 1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine +COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine +CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N MPX 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide +CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC MPY (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5 MPZ 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide +c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4 MQ0 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile +COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N MQ1 5-(4-methoxyphenoxy)-2,4-quinazolinediamine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br MQ2 ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O MQ4 (1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C MQ7 menaquinone-7 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C MQ8 menaquinone 8 +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C MQ9 menaquinone-9 +CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC MQA [(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate +c1ccc2c(c1)c(co2)CC(=O)O MQB 2-(1-benzofuran-3-yl)ethanoic acid +[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N MQC 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide +C[C@@H](C[C@@](C)(CO)O)O MQD 2-methylpentane-1,2,4-triol +CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C MQE 2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione +CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O MQG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C MQH bottromycin a2 +Cc1cc2cccc(c2nc1)S(=O)=O MQI 8-hydrosulfonyl-2-methylquinoline +c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F MQJ 2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl MQM 7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine +Cc1ccc2cc(ccc2n1)N MQN 2-methylquinolin-6-amine +Cc1cc2c(c(c1)OC)NC=CC2=O MQO 8-methoxy-6-methylquinolin-4(1h)-one +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1 MQP [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 MQQ n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide +C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQR [(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 MQS [(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone +Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O MQT methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside +COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N MQU 7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine +c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6 MQV 7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine +CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C MQW (4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F MQY (5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C MQZ bottromycin a2 derivative +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N MR0 n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide +c1cc2c(cc1CN)OCO2 MR1 1-(1,3-benzodioxol-5-yl)methanamine +c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-] MR2 3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one +Cn1cccc1 MR3 1-methyl-1h-pyrrole +Cc1cc(cc(c1O)C)c2nc3ccccc3o2 MR4 4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol +c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br MR5 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol +Cc1cc(cc(c1)c2nc3ccccc3o2)C MR6 2-(3,5-dimethylphenyl)-1,3-benzoxazole +C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC MR8 28-o-methylrapamycin +Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F MR9 4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide +C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO MRA 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide +C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC MRB bottromycin a2 derivative +CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O MRC mupirocin +C[C@H](CC(C)(C)O)O MRD (4r)-2-methylpentane-2,4-diol +CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O MRE 2-(4-dimethylaminophenyl)diazenylbenzoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS MRG n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C MRH 4-acetamido-4,6-dideoxy-alpha-d-mannopyranose +c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MRI 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one +CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MRJ n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3 MRK 2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide +C1CN(CCC1N)C(=O)O MRM 4-aminopiperidine-1-carboxylic acid +Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C MRN 2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide +c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O MRO 2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O MRP 3-o-methyl-alpha-l-rhamnopyranose +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N MRQ (14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide +CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRR (r)-2-methylmyristoyl-coenzyme a +CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MRS (s)-2-methylmyristoyl-coenzyme a +CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6 MRT (5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid +CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O MRU 5-s-methyl-1-o-phosphono-5-thio-d-ribulose +Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C MRV 4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide +c1cc2c(ccnc2cc1Cl)O MRW 7-chloroquinolin-4-ol +c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3 MRX 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide +C([C@H]([C@H](CO)O)O)O MRY meso-erythritol +[H]/N=C(\N)/N1CCCCC1 MRZ piperidine-1-carboximidamide +COc1ccc2c(c1)occ2CC(=O)O MS0 (6-methoxy-1-benzofuran-3-yl)acetic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N MS1 2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid +C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C MS2 2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide +CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4 MS3 n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine] +c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N MS4 3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate +COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N MS5 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate +CSCC[C@@H](CS)N MS6 (2s)-2-amino-4-(methylsulfanyl)butane-1-thiol +CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N MS7 o-benzyl-n-methyl-l-tyrosinamide +C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1 MS8 (2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid +COC(=O)c1ccc(cc1N)Cl MS9 methyl 2-amino-4-chlorobenzoate +CN[C@@H](C(=O)O)SC MSA (2-s-methyl) sarcosine +COc1ccc(cc1)S(=O)=O MSB 1-methyloxy-4-sulfone-benzene +c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F MSC 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide +CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC MSD 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea +C[Se]CC[C@@H](C(=O)O)N MSE selenomethionine +C[Se]CC(=O)[O-] MSF [methylseleno]acetate +C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MSG 7-methyl-6-thio-guanosine +CCC[C@@H](CC)S(=O)(=O)C MSH 3-methanesulfonyl-hexane +CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4 MSI 1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione +CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2 MSJ n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide +S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe] MSK broken fe4s4 cluster +C[S@](=N)(=O)CC[C@@H](C(=O)O)N MSL (2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid +CSC MSM (methylsulfanyl)methane +CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MSN (1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol +C[Se@@](=O)CC[C@@H](C(=O)O)N MSO selenomethionine selenoxide +CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N MSP 5'-o-[(l-methionyl)-sulphamoyl]adenosine +COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC MSQ 4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline +c1cc(ccc1n2ccnc2)O MSR 4-(1h-imidazol-1-yl)phenol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O MSS (molybdopterin-s,s)-oxo-molybdenum +CCNc1nc(nc(n1)SC)NC(C)(C)C MST 2-t-butylamino-4-ethylamino-6-methylthio-s-triazine +COC(=O)CCC(=O)O MSU succinic acid monomethyl ester +CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1 MSW [(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid +CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O MSX methyl 1,6-dithio-alpha-d-mannopyranoside +CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N MSY 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide +c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F MSZ (2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid +Cc1c2ccccc2c(nn1)Cl MT0 1-chloro-4-methylphthalazine +CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MT1 n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid +CC[S@@+](C)CC[C@@H](C(=O)O)N MT2 [(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium +CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5 MT3 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one +CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC MT4 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one +CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O MT5 n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium +COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O MT6 methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O MT7 alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose +C[C@]1(CCN2c3c1cccc3CCC2=O)O MT8 (1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one +CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O MT9 (3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O MTA 5'-deoxy-5'-methylthioadenosine +CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O MTB 2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid +COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O MTC [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester +C[Te]CC(=O)[O-] MTD [methyltelluro]acetate +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O MTE phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester +CNC=S MTF n-methylthioformamide +CSCC(=O)[O-] MTG [methylthio]acetate +CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O MTH 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol +CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O MTI 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium +CN[C@@H](Cc1ccc(cc1)OC)C(=O)O MTJ n,o-dimethyl-l-tyrosine +CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O MTK montelukast +C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O MTL d-mannitol +CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O MTM (3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol +CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C MTN s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +O MTO bound water +CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O MTP 2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O MTQ (molybdopterin-s,s)-dioxo-thio-molybdenum(vi) +CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O MTR (5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC MTS (4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O MTT maltotetraose +c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O MTU 9-beta-d-ribofuranosyl-9h-purin-2-amine +C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O MTV (molybdopterin-s,s)-dioxo-thio-molybdenum(iv) +c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4 MTW hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium +CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MTX methotrexate +c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY meta-tyrosine +Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2 MTZ 4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O MU0 (5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C MU1 n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide +C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MU2 n-acetylmuramyl-l-alanyl-d-isoglutamine +CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MU4 n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4 MU5 ~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide +COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC MU7 n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide +c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl MU8 (2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide +CN1C2=C(C(=O)NC(=O)N2)NC1=O MUA 9-methyl uric acid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C MUB n-acetyl-alpha-muramic acid +C1=CC(=O)O[C@H]1CC(=O)O MUC [(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid +CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O MUD n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc2cc(ccc2c1)S(=O)(=O)N MUE naphthalene-2-sulfonamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C MUF (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O MUG 4-methylumbelliferyl-alpha-d-glucose +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F MUH n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUI (5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N MUJ 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine +Cc1cc(nc(n1)Nc2ccccc2)C MUK 4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine +CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C MUL tiamulin +C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O MUM 5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine +CCCCCCCC/C=C/C(=O)OC[C@H](CO)O MUN [(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate +CCCCCCCCCCC[P@](=O)(O)OC MUP methoxyundecylphosphinic acid +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N MUQ 4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N MUR beta-muramic acid +CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O MUS 4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC MUT (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O MUU n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide +CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O MUV n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide +CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN MUW n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide +CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O MUX (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate +CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O MUY (r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid +[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N MUZ [(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid +CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O MV1 (2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide +CC(C)(CO)[C@@H](C(=O)NCCCO)O MV2 (2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide +c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N MV4 7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine +C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N MV5 (2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide +C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O MV7 n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide +CC(C)[C@H](C(=O)O)NC MV9 (2~{r})-3-methyl-2-(methylamino)butanoic acid +CC(C)[C@@H](C(=O)O)NC MVA n-methylvaline +C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O MVB (1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol +CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O MVC monovaccenin +C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O MVD 2alpha-methyl-1alpha,25-dihydroxy-vitamin d3 +CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6 MVE cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N MVF (2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide +CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O MVG 4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid +CC(=CC(=O)NC)OP(=O)(O)OC MVH methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O MVI mycinamicin vi +c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2 MVJ 5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C MVK 4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid +c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O MVL (5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol +c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5 MVM n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide +CC1=CC(=O)Nc2c1cc(cc2)Cl MVN 6-chloro-4-methyl-1h-quinolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O MVP (1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol +CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5 MVQ (2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide +CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F MVT 3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MVV (2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate +Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C MVW 5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole +COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MVY methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br MVZ 5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine +Cc1ccc(o1)CO MW0 (5-methylfuran-2-yl)methanol +[OH2][Mn+2] MW1 manganese ion, 1 water coordinated +[OH2][Mn+2][OH2] MW2 manganese dihydrate ion +[OH2][Mn+2]([OH2])[OH2] MW3 manganese ion, 3 waters coordinated +CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MW4 ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate +c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl MW5 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one +C=Cc1ccc(cc1)C(=O)O MW7 4-ethenylbenzoic acid +c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br MW8 5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide +CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWA (3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide +c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4 MWB n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine +Cc1ccc(o1)CON(O)O MWC dihydroxy[(5-methylfuran-2-yl)methoxy]amine +CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl MWD (3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O MWG (3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate +Cc1cc(ccc1O)Br MWJ 4-bromo-2-methylphenol +c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5 MWL 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine +Cc1cc(ccc1O)F MWM 4-fluoro-2-methylphenol +c1cc2c(cc1N)S(=O)(=O)C=C2 MWP 1-benzothiophen-6-amine 1,1-dioxide +c1c([nH]cn1)CCC(=O)O MWQ 3-(1~{h}-imidazol-5-yl)propanoic acid +C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O MWS 4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one +C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN MWT 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one +CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F MWV (1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate +c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN MWW 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine +CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C MWY (3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate +C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN MWZ 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine +CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O MX0 (1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O MX1 (2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid +CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N MX3 (1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid +c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N MX4 {1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid +c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N MX5 {1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC MX7 (2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO MX8 4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide +Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC MXA 6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine +Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O MXB (r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide +C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O MXC (2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid +c1c([n+](c(nc1N2CCCCC2)N)[O-])N MXD 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide +COCCO MXE 2-methoxyethanol +C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O MXF (2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C MXG 2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N MXH 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea +CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N MXI 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine +CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl MXJ (3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide +Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O MXK (2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O MXL moxalactam +Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O MXM 4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide +c1ccc(cc1)[C@H](C#N)O MXN (2r)-hydroxy(phenyl)ethanenitrile +CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C MXP myxopyronin b +C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO MXQ (1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one +C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C MXR (2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid +CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O MXS (2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid +CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C MXT 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione +CC1=CC(=O)N(c2c1c(ccc2OC)OC)C MXX 5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O MXY 2-o-methyl-beta-l-fucopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O MXZ 2-o-methyl-alpha-l-fucopyranose +C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N MY0 (2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid +c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY1 [n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid +c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY2 {1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY3 [n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid +c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY4 (1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid +C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O MY5 {1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid +Cn1cnc2c1C(=O)NC(=N2)N MY6 2-amino-7-methyl-1,7-dihydro-6h-purin-6-one +CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O MY7 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid +CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C MY8 mycinamicin viii +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O MY9 n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O MYA tetradecanoyl-coa +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O MYB decarboxylated myriocin +c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O MYC 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2 MYD {[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester +CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br MYE n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide +c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O MYF 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O MYG (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +COc1ccc2c(c1)c(c[nH]2)CC(=O)O MYI (5-methoxy-1h-indol-3-yl)acetic acid +Cc1cc(ccc1O)N(=O)=O MYJ 2-methyl-4-nitrophenol +CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N MYK n~6~-tetradecanoyl-l-lysine +C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C MYL mycalamide a +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MYM s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate +C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N MYN (2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid +CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4 MYP 4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide +C([C@@H](C(=O)O)S[Au])C(=O)O MYQ (s)-(1,2-dicarboxyethylthio)gold +CCCCCCCCCCCCCC(=O)O MYR myristic acid +CCCCCCCCCCCCCCC MYS pentadecane +CC(C)(c1cccnc1)C(=O)c2cccnc2 MYT metyrapone +c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O MYU 3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one +CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O MYV mycinamicin v +B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N MYW nidocarborane +C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC MYX (2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC MYY (2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate +CCCC/C=C\CCCCCCCC(=O)O MYZ myristoleic acid +c1c([nH]cn1)CO MZ0 1h-imidazol-5-ylmethanol +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C MZ1 n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide +C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F MZ2 (2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide +Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O MZ3 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide +COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O MZ4 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ5 (2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ6 n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide +CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 MZ7 n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide +CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4 MZ8 n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide +CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC MZ9 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5 MZA 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide +C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N MZB (1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol +CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC MZC methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate +C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O MZD s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N MZE 1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea +Cc1cc(ccc1O)Cl MZG 4-chloro-2-methylphenol +C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O MZH 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione +C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4 MZJ 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one +c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F MZK 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one +CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4 MZL n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide +CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C MZM n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O MZN 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one +COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 MZO n-(3-methoxyphenyl)-9h-purin-6-amine +c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N MZP 4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate +CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F MZQ 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N MZR 5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide +c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F MZS 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +C[C@H](CCC(=O)O)[N+](C)(C)C MZT 4-(trimethylammonio)pentanoic acid +c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4 MZV 3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +CCc1nnc(s1)N MZW 5-ethyl-1,3,4-thiadiazol-2-amine +CC1=CC(=O)Nc2c1c(ccc2OC)OC MZX 5,8-dimethoxy-4-methylquinolin-2(1h)-one +C1=CNC(=S)N1 MZY 1,3-dihydroimidazole-2-thione +c1cc(ccc1C(=O)n2ccnc2)N MZZ (4-aminophenyl)-imidazol-1-yl-methanone +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O N any 5'-monophosphate nucleotide +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O N01 3-acetylpyridine adenine dinucleotide +CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O N02 (1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C N03 1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3 N04 (2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N N05 3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid +Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 N07 [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone +c1cc(oc1)C(=O)NCCc2ccc(cc2)F N08 ~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide +COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4 N09 n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide +c1cc(cc(c1)F)C[C@@H](C(=O)O)N N0A 3-fluoro-l-phenylalanine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N N0B adenylated norbornene +Cc1ccc(c(c1)C)O N0D 2,4-dimethylphenol +c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O N0E ~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide +C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O N0G 2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide +c1ccc(cc1)OCC(=O)Nc2ccccc2O N0H ~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide +CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0J (4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O N0K 5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0M (4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO N0N 5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide +c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2 N0P (4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0Q 5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O N0S (4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO N0T (1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol +COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8 N0V (3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO N0W 5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide +c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N N0Z 2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol +CCCCCCNC(=O)OC[C@@H](C(=O)O)N N10 o-[(hexylamino)carbonyl]-l-serine +c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO N11 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol +[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N N12 n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine +c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F N13 2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide +C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N14 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 N15 2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide +C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3 N16 (3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione +Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4 N17 3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide +COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1 N18 methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate +c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N N19 4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide +C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F N1A 5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C N1B (s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate +c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O N1C n1-cyclic inosine 5'-diphosphoribose +CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC N1D 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one +COC(=O)c1ccc2c(c1)cccn2 N1E methyl quinoline-6-carboxylate +c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4 N1G 1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide +c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O N1H {5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid +CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F N1J n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine +[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N N1L 2-amino-2-deoxy-beta-d-glucopyranuronic acid +CNC(=O)c1ccccc1I N1M 2-iodo-n-methylbenzamide +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl N1N 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid +CCC[N+](=O)[O-] N1P 1-nitropropane +COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F N1Q 5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide +CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C N1S (2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol +Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-] N1T 1'-deazo-thiamin diphosphate +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N1V (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O N1W (2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid +Cc1ccc(o1)[C@@H]2CCCCO2 N1X (2s)-2-(5-methylfuran-2-yl)oxane +c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl N1Y 2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine +CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-] N1Z hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O N20 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine +c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O N21 (2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC N22 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine +Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3 N23 n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide +c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl N24 (2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one +CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C N25 1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide +c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O N26 naphthalene-2,6-diyl bis[dihydrogen (phosphate)] +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4 N27 n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide +c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO N28 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl N2A n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide +CCc1ccccc1 N2B ethylbenzene +CN[C@@H](CSC)C(=O)O N2C n,s-dimethylcysteine +CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl N2D n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide +Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C N2E ~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide +Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-] N2F 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran +c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3 N2G 2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C(CCNC(O)O)CN N2H (4-azanylbutylamino)methanediol +C=Nc1ccc2ccccc2c1 N2I n-(naphthalen-2-yl)methanimine +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4 N2J n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F N2K ~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide +c1cc2cc(ccc2c(c1)N)S(=O)(=O)O N2M 5-amino-naphtalene-2-monosulfonate +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2N dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +N#[N+][O-] N2O nitrous oxide +C(CCN)CCN N2P pentane-1,5-diamine +Cc1ccc(o1)c2ccn[nH]2 N2Q (5p)-5-(5-methylfuran-2-yl)-1h-pyrazole +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4 N2R dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2S chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F N2T (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide +CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl N2V n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine +COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4 N2W chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum +[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl N2Y (2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine +c1ccc(c(c1)c2[nH]cnn2)Cl N2Z 3-(2-chlorophenyl)-4~{h}-1,2,4-triazole +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N N30 (1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside +C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N32 2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N N33 (2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol +CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N34 n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide +CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N35 n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O N37 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine +COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO N38 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide +C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O N3A 2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid +c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F N3B n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl N3C 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CNCCCN N3D n-methylpropane-1,3-diamine +C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO N3E 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N N3F {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone +c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N N3G n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C N3H n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CC(=O)Nc1cccc(c1)N N3M n-(3-aminophenyl)acetamide +c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O N3P n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide +c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO N3Q 2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol +Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N N3T 3'-deazo-thiamin diphosphate +c1cc(c(c(c1)N)Cl)c2[nH]cnn2 N3W 2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline +CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC N3Z ~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide +CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO N40 3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide +c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N41 4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C N42 n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide +C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4 N44 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate +CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3 N45 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione +Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC N47 n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine +CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C N48 4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide +[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N N4A 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide +CCCCc1ccccc1 N4B n-butylbenzene +[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N N4C n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide +Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC N4D n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide +CCOc1ccc(cc1)NC(=O)C N4E n-(4-ethoxyphenyl)acetamide +c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N N4I 4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6 N4K 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole +C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O N4M 1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol +c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O N4N 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid +C(CCN(CCCN)CCCN)CN N4P n,n-bis(3-aminopropyl)butane-1,4-diamine +COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC N4Q 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine +CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2 N4R nexturastat a +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O N4S n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F N4T (1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine +CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4 N4W ~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine +COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C N4Z ~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine +Cc1c(nc(nc1OC)OC)C=C(CO)CO N50 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol +CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5 N51 4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide +CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C N53 n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide +C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3 N55 2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol +c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl N56 (3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O N57 (2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3 N58 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N N5A 5'-n-[(2-amino)ethyl carboxamido] adenosine +c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3 N5B n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-] N5C 5-nitrocytidine 5'-(tetrahydrogen triphosphate) +Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3 N5D n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O N5F (2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid +C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O N5G n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid +C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O N5H (2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid +c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-] N5I 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole +c1cncc2c1C(=O)NC=N2 N5J 3h-pyrido[3,4-d]pyrimidin-4-one +COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N N5K 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] N5M 5-nitrocytidine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3 N5N 2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N N5O 5'-n-(2-hydroxyl)ethyl carboxyamido adenosine +c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-] N5P 1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole +c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid +Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O N5S n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea +CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F N5T (2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide +CCNC(=O)Nc1nccs1 N5V n-ethyl-n'-1,3-thiazol-2-ylurea +c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F N5W 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3 N5Y n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide +c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F N5Z 1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole +CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3 N61 1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O N62 ~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide +Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 N64 n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea +CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C N65 (2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC N66 ~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC N67 n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide +C(CCCOP(=O)(O)O)CCN N68 6-aminohexyl dihydrogen phosphate +CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 N69 6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 N6A n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O N6B 4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide +CCCCCC[N+](=O)[O-] N6C 1-nitrohexane +Cc1cc(no1)NC(=O)Nc2cccc(c2)COC N6D n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O N6E n6-methyladenosine 5'-triphosphate +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N N6G ((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C N6H [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 N6J n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N N6L d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide +CNc1c2c([nH]cn2)ncn1 N6M n-methyl-9h-purin-6-amine +c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O N6P 6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine +CC(C)CCCC(=C)C=C N6Q 7-methyl-3-methylidene-oct-1-ene +C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O N6R (2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O N6S (2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O N6T 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine +CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C N6V n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N N6W benzo[b][1]benzazepine-11-carboxamide +c1cc(cc(c1)N)c2cccnc2 N6Y 3-(pyridin-3-yl)aniline +CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F N6Z ~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide +Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2 N71 n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea +C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O N72 (2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 N73 (2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide +Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3 N74 n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea +c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O N75 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid +c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 N76 3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide +c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-] N77 7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N78 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O N79 [(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate +c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N N7A 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7B ~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO N7D 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7E n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide +c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6 N7F 6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O N7G (2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide +Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C N7H delta-meso nitroheme +COc1cc(ccc1O)/C=C/CO N7I 4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol +c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2 N7J (2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 N7K ~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide +c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N N7M 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide +c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO N7N (3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O N7O (s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid +CC(=O)N1CCC[C@H]1C(=O)O N7P 1-acetyl-l-proline +CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Q ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide +c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O N7R n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide +C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O N7T (2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid +C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N N7V 3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7W ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC N7X 5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N N7Y adenosine 3',5'-bis(trihydrogen diphosphate) +CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5 N7Z ~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide +C=CN1CCC[C@H]1C(=O)O N80 1-ethenyl-l-proline +C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O N81 3-carboxy-2,3-dideoxy-d-erythro-pentaric acid +CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O N82 ~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide +c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N85 n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O N87 (1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid +CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O N88 (1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid +c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide +CCCCCCCC[N+](=O)[O-] N8C 1-nitrooctane +CCCCCCCCOCCOCCOCCOCCOCCO N8E 3,6,9,12,15-pentaoxatricosan-1-ol +C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F N8G [[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5 N8J (2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5 N8K n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N N8M 5'-deoxy-5'-(dimethylamino)-8-methyladenosine +c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl N8N (2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one +CC(=O)N1CCC[C@@H]1C(=O)O N8P n-acetyl-d-proline +c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3 N8Q 4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione +Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N N8S 4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6 N8T n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine +CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO N8V (1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O N8W ~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide +COc1ccc2c(c1)c(ncn2)N N8Y 6-methoxyquinazolin-4-amine +CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl N8Z 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol +CC(=O)Nc1ccc2c(c1)ncn2C N91 n-(1-methylbenzimidazol-5-yl)acetamide +c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl N92 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid +CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl N93 5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine +c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N N94 4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide +B(c1cnn(c1)c2cc(ncn2)Cl)(O)O N95 [1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid +c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F N97 4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide +COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5 N98 methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate +CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N N9A (3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid +COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC N9B 1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one +CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N N9D (3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid +CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4 N9G 6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide +CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3 N9H (5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide +c1ccc(cc1)COC(=O)NO N9J benzyl hydroxycarbamate +CN[C@@H](Cc1ccc(cc1)O)C(=O)O N9K (2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid +c1ccc(cc1)COC(=O)NOC(=O)O N9M benzyl (carboxyoxy)carbamate +c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O N9N (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone +c1cnccc1C[C@@H](C(=O)O)N N9P 3-pyridin-4-yl-l-alanine +c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O N9Q 4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O N9S 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose +COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4 N9T (1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide +CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O N9V 5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) +CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1 N9W 4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide +c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O N9Y (3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide +CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C N9Z 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile +[Na+] NA sodium ion +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O NA0 3-acetylpyridine adenine dinucleotide phosphate +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O NA1 2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose +[OH2-][Na+][OH2-] NA2 sodium ion, 2 water coordinated +c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O NA3 (3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid +c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O NA4 4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid +[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-] NA5 sodium ion, 5 waters coordinated +[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-] NA6 sodium ion, 6 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N NA7 [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+] NA8 (1s)-1-carboxy-2-naphthalen-2-ylethanaminium +[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N NA9 n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide +CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAA 2-acetamido-2-deoxy-beta-d-allopyranose +c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O NAB 2-((4'-hydroxynaphthyl)-azo)benzoic acid +CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAC 3-acetyl pyridine adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAD nicotinamide-adenine-dinucleotide +CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAE nicotinamide adenine dinucleotide acetone adduct +C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O NAF m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O NAG 2-acetamido-2-deoxy-beta-d-glucopyranose +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAH nicotinamide-adenine-dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N NAI 1,4-dihydronicotinamide adenine dinucleotide +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N NAJ nicotinamide-adenine-dinucleotide (acidic form) +CC(=[NH2+])C(=O)[O-] NAK amino-acrylate +c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N NAL beta-(2-naphthyl)-alanine +c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N NAM nam napthylaminoalanine +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O NAN 5-n-acetyl-alpha-d-neuraminic acid +[OH2-][Na+] NAO sodium ion, 1 water coordinated +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NAP nadp nicotinamide-adenine-dinucleotide phosphate +CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NAQ nicotinamide adenine dinucleotide 3-pentanone adduct +c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O NAR naringenin +c1ccc2cc(ccc2c1)S(=O)(=O)O NAS 2-naphthalenesulfonic acid +CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C NAT ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O NAU 4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid +CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O NAV 6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid +[OH2-][Na+]([OH2-])[OH2-] NAW sodium ion, 3 waters coordinated +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N NAX beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide +CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O NAY 6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid +Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4 NAZ n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide +CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NB1 (3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NB2 (1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide +Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O NB4 (2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F NB5 7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F NB7 n'-[(2-fluorophenyl)sulfonyl]benzohydrazide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N NB8 5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine +CNCCCNCCCNCCC(O)O NBA 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol +CCCCNS(=O)(=O)c1ccccc1 NBB n-butyl-benzenesulfonamide +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O NBC s-4-nitrobutyryl-coa +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O NBD n6-benzyl-nicotinamide-adenine-dinucleotide +c1ccc(cc1)N=O NBE nitrosobenzene +B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O NBF [(2-ethoxy-1-naphthoyl)amino]methylboronic acid +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O NBG n-acetyl-beta-d-glucopyranosylamine +CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC NBH n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide +c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-] NBI 2-nitro-n-phenylbenzamide +c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I NBJ n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide +Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F NBK 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine +CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2 NBL n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide +c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] NBM 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine +CCCC[N+]#[C-] NBN n-butyl isocyanide +CC(=O)CCc1ccc2cc(ccc2c1)OC NBO nabumetone +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N NBP nicotinamide 8-bromo-adenine dinucleotide phosphate +c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N NBQ 2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C NBR 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine +c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O NBS n6-benzyl adenosine-5'-diphosphate +CC[C@H](C)[N+](=O)[O-] NBT (2s)-2-nitrobutane +CCCC NBU n-butane +CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NBV (2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol +CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C NBW ~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N NBX n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] NBY n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine +c1ccc(cc1)[N+](=O)[O-] NBZ nitrobenzene +CN NC methylamine group +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N NC1 nitrocefin acyl-serine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N NC2 nitrocefin acyl-serine +C1CCC(CC1)NC(=O)NCC(=O)O NC3 n-[(cyclohexylamino)carbonyl]glycine +C1CCC(CC1)NC(=O)NCCCC(=O)O NC4 4-{[(cyclohexylamino)carbonyl]amino}butanoic acid +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC NC5 3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide +C1CCC(CC1)NC(=O)NCCCCCC(=O)O NC6 6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid +C1CCC(CC1)NC(=O)NCCCCCCC(=O)O NC7 7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N NC8 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium +c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N NC9 (3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium +c1cc(cnc1)C(=O)N NCA nicotinamide +C[C@H](C(=O)O)NC(=O)N NCB n-carbamoyl-alanine +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O NCC cytidine-5'-monophosphate-5-n-acetylneuraminic acid +C([C@@H](C(=O)O)NC(=O)N)C(=O)O NCD n-carbamoyl-l-aspartate +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5 NCE 3,6-bis[(3-morpholinopropionamido)] acridine +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O NCF (2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC NCG [(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene +C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] NCH p-nitrophenyl-phosphocholine +CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC NCI 3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine +C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C NCJ 3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine +CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C NCK 3,6-bis[3-(4-methylpiperidino)propionamido]acridine +C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C NCL 3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine +C1C[C@@H]2C[C@H]1CC2=O NCM norcamphor +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O NCN nicotinate mononucleotide +[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3] NCO cobalt hexammine(iii) +N[Pt](N)(Cl)Cl NCP cis-diaminodichloroplatinum +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5 NCQ 3,6-bis[3-(azepan-1-yl)propionamido]acridine +Cc1ccc(c(c1)[N+](=O)[O-])O NCR 2-nitro-p-cresol +Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC NCS spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]] +C[N@@]1CCC[C@H]1c2cccnc2 NCT (s)-3-(1-methylpyrrolidin-2-yl)pyridine +CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NCU [(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CC1=C(N(C(=O)NC1=O)C)CC(CO)CO NCV n-methyl-6-(1,3-dihydroxy-isobutyl)thymine +CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O NCW (1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide +c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N NCX 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide +CN[C@@H](CS)C(=O)O NCY n-methylcysteine +Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC NCZ 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester +[Nd+3] ND neodymium ion +CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F ND1 (2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide +CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C ND2 4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine +CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C ND3 2,2-dimethyl-3-dehydroquinic acid +[2H][N+]([2H])([2H])[2H] ND4 ammonium cation with d +c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br ND5 3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N ND7 5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine +c1ccc2c(c1)cc(s2)C(=O)O ND8 benzothiophene 2 carboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN NDA 3-aminomethyl-pyridinium-adenine-dinucleotide +C[N+](C)(CCCS(=O)(=O)O)CCO NDB n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium +c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O NDC nicotinamide adenine dinucleotide cyclohexanone +c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O NDD 2,6-dicarboxynaphthalene +c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NDE adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt +c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O NDF n-(carboxycarbonyl)-d-phenylalanine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O NDG 2-acetamido-2-deoxy-alpha-d-glucopyranose +c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O NDH (1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene +CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O NDJ (2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide +Cn1c[n+](c2c1NC(NC2O)N)C NDM 7,9-dimethylguanine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDN 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N NDO nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDP nadph dihydro-nicotinamide-adenine-dinucleotide phosphate +Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O NDQ 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NDR (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one +CC[N+](C)(C)CCCS(=O)(=O)[O-] NDS ethyl dimethyl ammonio propane sulfonate +B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O NDT 2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol +C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O NDU 2'-deoxy-5-nitrouridine 5'-monophosphate +CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C NDV (2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N NDW alpha-nadph +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C NDX [[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O NDY (1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O NDZ (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid +c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl NE1 2',3,3',4',5-pentachlorobiphenyl-4-ol +c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl NE2 3,3',4',5-tetrachlorobiphenyl-4-ol +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O NE5 5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid +CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C NE6 methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NE7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NE8 6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N NEA 5'-deoxy-5'-[2-(amino)ethylthio]adenosine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+] NEB 2-deoxy-d-streptamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NEC n-ethyl-5'-carboxamido adenosine +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+] NED 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose +Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3 NEE 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole +c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O NEF nitrocefin - open form +C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N NEG negamycin +CCN NEH ethanamine +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O NEI (2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NEJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate +c1cc(ccc1/C=N/OCCC(=O)O)O NEK 3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid +Cn1cc(nc1)C[C@@H](C(=O)O)N NEM ne2-methylated histidine +CCN1C(=O)CCC1=O NEN 1-ethyl-pyrrolidine-2,5-dione +c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O NEO neopterin +c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N NEP n1-phosphonohistidine +CCN1C(=O)C=CC1=O NEQ n-ethylmaleimide +CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O NER (15e)-tetracos-15-enoic acid +C(CS(=O)(=O)O)NC(CO)(CO)CO NES 2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid +CC[N+](CC)(CC)CC NET tetraethylammonium ion +c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O NEU l-neopterin +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NEV nevirapine +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl NEW 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol +C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C NEX (1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol +Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 NEZ 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O NF n,n'-(3,7-diazanonylene)-bis-naphthalimide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O NF1 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O NF2 (1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol +CCOC(=O)/C=C\C(=O)O NF3 (~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O NF4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br NF5 4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide +Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O NF6 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NF7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F NF8 (2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol +c1ccc(cc1)C[C@@H](C(=O)N)N NFA phenylalanine amide +C(=O)[Fe](C=O)(C#N)O[Ni] NFB ni-fe active center b-form +C(=O)[Fe](C=O)(C#N)O(=O)[Ni] NFC ni-fe active center a-form +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N NFD nicotinamide 2-fluoro-adenine dinucleotide +C(=O)=[Fe](=C=O)(SO)S[Ni] NFE ni-fe active center +CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O NFF (2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F NFG 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside +CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C NFH n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O NFJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O NFK n'-formylkynurenine +c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F NFL 2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid +Cc1ncc(c(n1)N)CNC=O NFM n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide +CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] NFN 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate +C(=O)[Fe](C=O)(C#N)O[Ni] NFO ni-fe oxidized active center +c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N NFP (1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine +[H]/N=C/N[C@@H](CC(=O)O)C(=O)O NFQ n-[(e)-iminomethyl]-l-aspartic acid +C(=O)[Fe](C=O)(C#N)[Ni] NFR ni-fe reduced active center +S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51 NFS fe(4)-ni(1)-s(5) cluster +CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F NFT n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide +C(=O)[Fe](C#N)(C#N)[Ni] NFU formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni) +C(#N)[Fe](C#N)(C#O)O[Ni] NFV ni-fe oxidized active center +CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O NFW (2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4 NFX 7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid +c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-] NFZ nitrofurazone +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O NG1 2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C NG2 n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N NG3 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NG4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NG5 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NG6 2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose +CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6 NG7 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide +[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F NG8 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O NGA 2-acetamido-2-deoxy-beta-d-galactopyranose +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O NGB 4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside +C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGC n-glycolyl-alpha-neuraminic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N NGD 3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium +C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O NGE n-glycolyl-beta-neuraminic acid +C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O NGF 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid +CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC NGH n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O NGI 2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine +CCC1=Cc2c(cccc2N)C(=O)N1 NGJ 5-amino-3-ethylisoquinolin-1(2h)-one +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O NGK 2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O NGL acetylgalactosamine-4-sulfate +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGM nogalamycin +[NH4+] NGN nitrogen +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O NGO 2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC NGP nogalamycin (protonated form) +[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O NGQ n-carbamimidoyl-l-glutamic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O NGR 3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O NGS 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose +CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGT 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC NGU u-58872, hydroxy derivative of nogalamycin +CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC NGV methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate +C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NGW (2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O NGY 2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose +CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O NGZ 2-acetamido-2-deoxy-alpha-l-glucopyranose +[NH] NH amino substitution group +Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O NH1 3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one +[NH2] NH2 amino group +N NH3 ammonia +[NH4+] NH4 ammonium ion +c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl NH5 n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide +c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4 NH6 ~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide +Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O NH7 2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide +Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O NH8 3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O NH9 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3 NHB n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide +C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O NHC (1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N NHD nicotinamide purin-6-ol-dinucleotide +C1CCC(CC1)NCCS(=O)(=O)O NHE 2-[n-cyclohexylamino]ethane sulfonic acid +C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O NHF 1,5-anhydro-d-fructose +C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O NHG bis-noreseroline +C1CC(=NN=C(N)N)CCC1=NN=C(N)N NHH n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide +c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O NHI 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid +c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F NHJ 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide +COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO NHK n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O NHL (4s)-4-(2-naphthylmethyl)-d-glutamic acid +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHM s-(2-oxo)pentadecylcoa +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5 NHN (6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide +c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O NHO nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline +c1ccc(c(c1)N)SCCCCP(=O)(O)O NHP 4-(2-aminophenylthio)-butylphosphonic acid +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O NHQ (3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHR 2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid +c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O NHS 10-formyl-5,8,10-trideazafolic acid +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O NHT (3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N NHU 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide +c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O NHV (5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O NHW 2-oxopentadecyl-coa +C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO NHX n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide +C(=O)(N)NO NHY n-hydroxyurea +[Ni+2] NI nickel (ii) ion +CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C NI0 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one +[OH2][Ni+2] NI1 nickel ion, 1 water coordinated +[OH2][Ni+2][OH2] NI2 nickel (ii) ion, 2 waters coordinated +[OH2][Ni+2]([OH2])[OH2] NI3 nickel (ii) ion, 3 waters coordinated +CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C NI5 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one +c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O NI7 (4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO NI8 (4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione +c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F NI9 3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-] NIA ((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate +C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O NIC nitroisocitric acid +c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O NID 4-nitro-inden-1-one +CC[N+](=O)[O-] NIE nitroethane +CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3 NIF 2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one +[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O NIG n-(iminomethyl)-l-glutamic acid +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO NIH 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide +CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO NII 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2] NIK pentaaquanickel +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F NIL nilotinib +CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] NIM 4-nitro-2-phenoxymethanesulfonanilide +c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] NIN dinitrophenylene +c1cc(cnc1)C(=O)O NIO nicotinic acid +c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-] NIP 4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N NIQ 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O NIR 3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium +CC(C)[N+](=O)[O-] NIS 2-nitropropane +c1cc(ccc1N)[N+](=O)[O-] NIT 4-nitroaniline +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O NIU 6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NIV nevirapine +Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC NIW 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate +CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O NIX nalidixic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O NIY meta-nitro-tyrosine +c1cnccc1C(=O)NN NIZ pyridine-4-carbohydrazide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJ1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5 NJ2 ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide +C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJ4 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O NJ5 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJ7 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N NJ8 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O NJA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJB ~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5 NJD n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O NJG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate +c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl NJH ~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O NJJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6 NJK ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO NJM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6 NJN ~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide +c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N NJP 5-hydroxy-nicotinamide-adenine-dinucleotide phosphate +c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O NJQ 3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid +C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O NJS itaconyl coenzyme a +CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl NJT 9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one +Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F NJV 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide +c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N NJW 5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid +Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O NJX 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione +CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NJY (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N NJZ [3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate +c1ccc(c(c1)C=O)O NK salicylaldehyde +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5 NK0 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide +C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O NK1 (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol +C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O NK2 (1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol +CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C NK4 (5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine +c1ccc(cc1)n2cc(nn2)C(=O)NO NK5 ~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK7 4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide +c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N NK8 4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F NK9 4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C NKA (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +c1c2c(c(c(c1Br)Br)Br)[nH]nn2 NKB 5,6,7-tris(bromanyl)-1~{h}-benzotriazole +C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N NKD (2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid +c1cc(c2c(c1Br)[nH]nn2)Br NKE 4,7-bis(bromanyl)-1~{h}-benzotriazole +c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O NKG n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine +COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3 NKH n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide +c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl NKI (2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one +C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4 NKJ (19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1 NKK n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide +CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O NKM (2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide +CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKN (2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKO (2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKP (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate +CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O NKQ (2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate +CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O NKR (2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate +Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O NKS n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine +c1cc(c(c2c1nn[nH]2)Br)Br NKT 6,7-bis(bromanyl)-1~{h}-benzotriazole +CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O NKV n-(2-methylpropanoyl)adenosine +c1cc2c(cc1Br)[nH]nn2 NKW 6-bromanyl-1~{h}-benzotriazole +CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] NKX (2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate +CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N NKY 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide +c1cc2c(c(c1)Br)[nH]nn2 NKZ 7-bromanyl-1~{h}-benzotriazole +c1c(cc(c2c1nn[nH]2)Br)Br NL2 5,7-bis(bromanyl)-1~{h}-benzotriazole +c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O NL3 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid +Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C NL4 3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide +CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2 NL5 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole +COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NL7 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O NL8 ~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide +B(c1cnn(c1)c2cccc(c2)Cl)(O)O NL9 [1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid +c1ccc2c(c1)cccc2CC(=O)O NLA naphthalen-1-yl-acetic acid +c1ccc(cc1)COCCCC[C@@H](C(=O)O)N NLB 6-(benzyloxy)-l-norleucine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O NLC 2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose +CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C NLD nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate +CCCC[C@@H](C(=O)O)N NLE norleucine +CC(=O)N[C@@H](CCC(=O)O)C(=O)O NLG n-acetyl-l-glutamate +CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O NLH (2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid +[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C NLI n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide +COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLJ 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O NLK (2r,5s)-5-amino-2-butyl-4-oxononanoic acid +c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl NLM 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCC[C@@H](C(=O)N)N NLN norleucine amide +CCCC[C@@H](C(=O)OC)N NLO o-methyl-l-norleucine +CCCC[C@H](N)P(=O)(O)O NLP (1-amino-pentyl)-phosphonic acid +CC(=O)N[C@@H](CCC(=O)N)C(=O)O NLQ n~2~-acetyl-l-glutamine +c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLS 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O NLT n-dodecanoyl-l-tyrosine +c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O NLV 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid +CC(C)C[C@@H](C(=O)N)N NLW l-leucinamide +C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C NLX (5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium +C(CCNCC(=O)O)CN NLY n-(4-aminobutyl)glycine +c1cc(c(cc1O)O)C(=O)N NLZ 2,4-bis(oxidanyl)benzamide +CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NM1 3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide +C[N+](C)(C)CCCC(=O)O NM2 3-carboxy-n,n,n-trimethylpropan-1-aminium +CC[N+](C)(C)CCCC(=O)O NM3 ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium +COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC NM4 (3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C NM6 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose +c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F NM7 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide +CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F NM8 6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide +C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C NM9 methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O NMA n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine +c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 NMB 2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol +C1CC1CNCC(=O)O NMC n-cyclopropylmethyl glycine +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O NMD n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN NME methylamine +CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF NMF 6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione +[H]/N=C(/N)\NCC(=O)O NMG guanidino acetate +CCCCC[C@@H](C)NC=O NMH (r)-n-(1-methyl-hexyl)-formamide +Cn1cc(c2c1cccc2)CCC(=O)O NMI 3-(1-methyl-1h-indol-3-yl)propanoic acid +c1c(nc(cn1)Cl)C(=O)O NMJ 6-chloropyrazine-2-carboxylic acid +CN[C@@H](CCCC[NH3+])C(=O)O NMK n-methyl lysine +CC(=O)NC NML n-methylacetamide +[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N NMM (2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N NMN beta-nicotinamide ribose monophosphate +[N]=O NMO nitrogen monoxide +C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N NMP 2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F NMQ n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +B(=O)(c1cc(cc(c1)Cl)Cl)O NMR [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC NMS 1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O NMT 1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine +CNC(=O)N NMU n-methylurea +COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NMW [2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O NMX nitromethyldethia coenzyme a +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N NMY neomycin +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N NMZ (2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F NN1 2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide +c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O NN2 1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one +CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C NN3 3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid +CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC NN4 (1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide +Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5 NN5 [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone +Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C NN7 n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide +COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 NN8 [2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone +CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C NNA (1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br NNB o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl NNC o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate +CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O NND (2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC NNE n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} +CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F NNF 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one +C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O NNG 2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose +[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO NNH nor-n-omega-hydroxy-l-arginine +c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I NNI o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate +C[n+]1cccc(c1)CN NNJ 3-(aminomethyl)-1-methylpyridinium +C[n+]1ccc(cc1)CN NNK 4-(aminomethyl)-1-methylpyridinium +Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl NNL n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine +C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O NNM (3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate +CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C NNN (2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol +c1cc([n+](cc1C(=O)O)[O-])O NNO 6-hydroxyisonicotinic acid n-oxide +CCCCCCCCCC1=CC(=O)c2ccccc2N1 NNQ 2-nonylquinolin-4(1h)-one +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N NNR nicotinamide riboside +CC(=O)Nc1ccc(cc1)O NNS 4-acetyl-aminophenol +C[n+]1ccc(c(c1)CN)Cl NNT 3-(aminomethyl)-4-chloro-1-methylpyridinium +c1cncc(c1Cl)CN NNU 1-(4-chloropyridin-3-yl)methanamine +C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O NNV (1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid +c1cnccc1CN NNW 1-(pyridin-4-yl)methanamine +C[n+]1ccc(cc1CN)Cl NNX 2-(aminomethyl)-4-chloro-1-methylpyridinium +c1cnc(cc1Cl)CN NNY 1-(4-chloropyridin-2-yl)methanamine +C[n+]1ccccc1CN NNZ 2-(aminomethyl)-1-methylpyridinium +[N]=O NO nitric oxide +Cc1c2c(cccc2[nH]c1C(=O)O)CO NO1 4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid +N(=O)[O-] NO2 nitrite ion +[N+](=O)([O-])[O-] NO3 nitrate ion +c1ccc(cc1)CNCCC2=CCCCC2 NO4 n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine +CC(C)[C@@H](C(=O)O)NS(=O)(=O)N NO5 (2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid +C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O NO7 9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine +C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C NO8 (2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide +Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O NO9 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid +c1ccc2c(c1)cccc2OCC(=O)O NOA naphthyloxyacetic acid +[Li]OB(O)OB(O)O NOB (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium +c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N NOC 3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol +C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O NOD n-ethylhydroxy-doxorubicin +CCN=O NOE nitrosoethane +CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 NOG 13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O NOH 2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate) +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O NOJ 1-deoxynojirimycin +CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO NOK 2-acetamido-1,2-dideoxynojirmycin +C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C NOL n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide +C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O NOM 7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione +CCCCCCCCC(=O)OC NON methyl nonanoate (ester) +CCCCCCCC(=O)NC1=CC(=O)CCC1 NOO n-(3-oxocyclohex-1-en-1-yl)octanamide +Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O NOP pyridoxal-5'-phosphate-n-oxide +COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN NOQ (1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide +CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O NOR cyclohexyl-norstatine +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O NOS inosine +C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N NOT 6-azido-l-norleucine +Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O NOV novobiocin +[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C NOW nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide +c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O NOX n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide +C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO NOY (2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO NOZ (2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol +c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O NP 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid +CCCNO NP0 n-hydroxypropan-1-amine +Cc1ccc(c(c1)[N+](=O)[O-])NCCCN NP1 n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine +c1ccc(c(c1)NCCCN)[N+](=O)[O-] NP2 n-(3-aminopropyl)-2-nitrobenzenamine +c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O NP3 1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O NP4 (5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O NP5 (5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione +CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O NP6 [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate +CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-] NP7 2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide +CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC NP8 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one +c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O NPA 2-(4-hydroxy-3-nitrophenyl)acetic acid +B(c1cccc(c1)[N+](=O)[O-])(O)O NPB 3-nitrophenylboronic acid +c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O NPC 4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion +C[C@@H](Cc1cccc2c1cccc2)C=O NPD 2-methyl-3-naphthalen-1-yl-propionaldehyde +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-] NPE 5-(para-nitrophenyl phosphonate)-pentanoic acid +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O NPF 2-nitrophenyl beta-d-fucopyranoside +c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O NPG n-succinyl phenylglycine +c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N NPH cysteine-methylene-carbamoyl-1,10-phenanthroline +C(CCC(=O)O)C[C@@H](C(=O)O)N NPI (2s)-2-aminoheptanedioic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O NPJ 4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside +C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O NPK 5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O NPL n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate +c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4 NPM n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine +CCC[N+]#[C-] NPN n-propyl isocyanide +c1cc(ccc1[N+](=O)[O-])O NPO p-nitrophenol +CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C NPP n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine +CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O NPQ n-acetyl naphthylalanine +C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O NPR 2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPS (2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid +CC(C)(C)CN NPT neopentylamine +C[C@H]([C@@H](c1ccccc1)O)N NPU (1r,2r)-2-amino-1-phenylpropan-1-ol +c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O NPV 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N NPW beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O NPX (2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid +c1ccc2ccccc2c1 NPY naphthalene +Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N NPZ 1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc2c(c1)C(=O)C=C(C2=O)O NQ 2-hydroxynaphthoquinone +c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F NQ1 10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O NQ2 ~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide +C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N NQ4 [[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate +COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3 NQ5 2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide +C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N NQ7 (5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one +C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C NQ8 (5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5 NQB n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide +Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O NQD (2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid +CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N NQE 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O NQG 5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide +c1cnc(c(c1NCC2CC2)C#N)Cl NQH 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile +[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O NQI n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide +Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC NQJ methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate +CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl NQK 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile +C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O NQM (1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid +C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQN 2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C NQP 4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NQQ 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1ccc2c(c1)C(=O)C=C(C2=O)SCCO NQS 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NQT 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C NQV 4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide +C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQW 5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C NQY 3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide +C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl NQZ 5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O NR1 (3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N NR2 n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR3 (1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O NR4 (1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate +CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C NR5 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl NR7 methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O NR8 2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile +c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4 NR9 (5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one +c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O NRA norathyriol +CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C NRB narbomycin +C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN NRD (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid +C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br NRE [(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone +CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl NRF norflurazon +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-] NRG n-omega-nitro-l-arginine +c1ccc2c(c1)c3ccncc3[nH]2 NRH norharmane +C1[C@@H]([C@H](CN1)O)COP(=O)(O)O NRI phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester +COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl NRJ methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate +Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F NRK (1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide +Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4 NRM n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N NRN (1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol +CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-] NRO 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid +[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O NRP {4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O NRQ {(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4 NRS n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide +c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3 NRT 6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine +[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3] NRU ruthenium (iii) hexaamine ion +CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1 NRV n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine +Cc1cc(on1)C(=O)N(C)Cc2cccnc2 NRW n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide +c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F NRY 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium +Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C NRZ (2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C NS0 all-trans-1,2-dihydroneurosporene +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS1 15-trans-1,2-dihydroneurosporene +Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl NS2 [(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4 NS3 (3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide +CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-] NS4 n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide +CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C NS5 15-cis-1,2-dihydroneurosporene +CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4 NS6 (3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4 NS7 (3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide +c1ccc(cc1)/C=C/[N+](=O)[O-] NS8 trans beta nitrostyrene +CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O NS9 (2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol +c1ccc(cc1)NC(=O)C(Cl)Cl NSA 2,2-dichloro-n-phenyl-acetamide +C[N+](C)(C)CCCS(=O)(=O)O NSB n,n,n-trimethyl-3-sulfopropan-1-aminium +Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N NSC n,n'-bis(4-amino-2-methylquinolin-6-yl)urea +C(CN)CNCCCN NSD n-(3-aminopropyl)propane-1,3-diamine +c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile +C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O NSG (2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol +COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F NSI 3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide +c1cc(cc(c1)O)CN2CCSCC2 NSJ 3-[(thiomorpholin-4-yl)methyl]phenol +C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O NSK n-succinyl lysine +c1ccc(cc1)/N=N/c2ccc(cc2)O NSL 4-hydroxyazobenzene +CN=O NSM nitrosomethane +CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N NSN n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate +Cc1ncc(c(n1)N)CN NSP 5-(aminomethyl)-2-methylpyrimidin-4-amine +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O NSQ 4-nitrophenyl alpha-d-6-sulfoquinovoside +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N NSS 5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine +c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O NST 3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid +Cc1ncc(s1)CN2CCNCC2 NSV 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSX n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6 NSY n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4 NSZ n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N NT netropsin +COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC NT1 heparin heptasaccharide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O NT2 2,3,4,6-tetra-o-sulfohexopyranose +[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N NT4 n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide +Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4 NT5 [(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone +Cc1cccc(c1C)NC(=O)CN2CCOCC2 NT7 n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide +CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O NT8 (1-azanyl-1-phosphono-decyl)phosphonic acid +C(C(=O)O)N(CC(=O)O)CC(=O)O NTA nitrilotriacetic acid +CC(C)(C)N NTB tertiary-butylamine +C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O NTC 2-hydroxy-2-nitromethyl succinic acid +c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O NTD 2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O NTE [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O NTF n-(trifluoroacetyl)-beta-d-glucopyranosylamine +c1cc(ncc1N2CCCOCC2)C#N NTG 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34 NTH succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester +CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] NTI 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate +CCO[P@H](=O)N(C)C NTJ r-ethyl n,n-dimethylphosphonamidate +CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC NTK 2,3-di(butanoyloxy)propyl butanoate +CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N NTL n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide +c1cc(c(nc1)C(=O)O)C(=O)O NTM quinolinic acid +c1cnccc1C(=N)N NTN isonicotinamidine +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O NTO trisulfoamino heparin pentasaccharide +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O NTP heparin pentasaccharide +Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F NTQ (1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide +c1cc(c(cc1[C@H](C(=O)O)N)O)O NTR meta-hydroxy beta nor-tyrosine +c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] NTS naphthalene trisulfonate +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O NTT [(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate +CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N NTU n1,n14-bis((s-methyl)isothioureido)tetradecane +Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2 NTV (2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide +Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N NTW 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile +[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N NTX n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide +c1cc(ccc1[C@H](C(=O)O)N)O NTY beta nor-tyrosine +C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O NTZ nojirimycine tetrazole +CC1=Nc2c(cccc2O)C(=O)N1 NU1 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one +CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4 NU2 (3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione +c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N NU3 2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide +Cc1c(cco1)C(=O)Nc2ccncc2 NU4 2-methyl-n-(pyridin-4-yl)furan-3-carboxamide +c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO NU5 3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol +c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N NU6 3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide +CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5 NU7 n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NU8 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F NU9 n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide +CCn1cc(cn1)NC(=O)C2CCC2 NUA n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide +CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 NUB 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one +Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUD 4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3 NUE 4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide +c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F NUF [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii) +C1CN(CCC1O)CC2=CCSC2 NUG 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol +CN1C=C(C=CC1=O)c2cccc(c2)OC NUH 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one +Cc1cc(nc(n1)C)N(C)C2CC(C2)O NUJ trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol +c1csc2c1sc(c2)C(=O)O NUK thieno[3,2-b]thiophene-5-carboxylic acid +c1ccnc(c1)C(=O)NCCc2ccc(cc2)O NUM n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N NUP 6-aminouridine 5'-monophosphate +CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F NUQ 5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one +CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC NUT 4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one +Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC NUW 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide +CC(C)N1CCN(CC1)C(=O)c2cccs2 NUY [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone +Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-] NUZ [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone +Cc1cccc(c1N(C(C)C)C(=O)CN)C NV1 2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide +CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4 NV2 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4 NV4 (5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5 NV5 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide +CS(=O)(=O)N1CCN(CC1)Cc2ccco2 NV7 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine +c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4 NV8 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole +CCC[C@@H](C(=O)O)N NVA norvaline +CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC NVB n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide +CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2 NVC n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide +CN(C)c1ccc(cc1)CNn2cnnc2 NVD n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine +CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C NVE diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate +c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O NVG 4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one +CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F NVH 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one +C=C[n+]1cc[nH]c1 NVI 1-vinylimidazole +CCOC(=O)NCc1ccccc1 NVJ ethyl benzylcarbamate +Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 NVK 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea +C[C@H]1CCN(C=CC1)C(=O)c2cscn2 NVM [(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C NVN 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea +Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 NVP 11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one +CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3 NVQ ~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide +COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O NVS 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one +c1ccc2c(c1)c(no2)CC(=O)O NVU 2-(1,2-benzoxazol-3-yl)ethanoic acid +c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVV 7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O NVW n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide +c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O NVX 7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +CCN1CCC(CC1)Nc2ccccc2F NVY 1-ethyl-n-(2-fluorophenyl)piperidin-4-amine +CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O NVZ 5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O NW1 6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine +CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O NW2 2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid +C1CCC(CC1)CCC(=O)N2CCOCC2 NW4 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one +CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O NW5 2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid +CCc1c(c(on1)C)C(=O)Nc2cc(on2)C NW7 3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide +c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl NW8 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine +CC(CCC[N+](C)(C)C)(O)O NWA 4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium +CC(=O)CCC[N+](C)(C)C NWB n,n,n-trimethyl-4-oxopentan-1-aminium +C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-] NWD 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine +c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4 NWE 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid +C(CC(=O)C(=O)O)CN=C(N)N NWG 5-[(diaminomethylidene)amino]-2-oxopentanoic acid +CCCCC[C@H](C)NC=O NWH n-[(2s)-heptan-2-yl]formamide +c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O NWJ 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl NWK 2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid +CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N NWL 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione +CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O NWM (3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate +[H-]([Fe](CO)(C#N)C#N)[Ni+2] NWN hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron +C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C NWP (2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide +CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O NWQ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N NWS moco-amp +CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C NWT n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide +Cn1cc(cn1)CNC(=O)c2ccco2 NWV n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N NWW (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide +Cc1ccc(cn1)CNC(=O)C2CCC2 NWY n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N NWZ (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide +c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl NX1 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl NX2 3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide +c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N NX3 n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide +COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl NX4 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid +c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl NX5 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid +c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O NX6 n-[(benzyloxy)carbonyl]-l-aspartic acid +c1cc(c(c(c1)F)C(=O)N2CCCC2)F NX7 (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N NX8 (2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide +C[C@@H](C(=O)O)NC(=O)O NXA n-carboxyalanine +c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N NXB (2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol +CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-] NXC (2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+) +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O NXD methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CC(=O)Nc1cc(no1)C(F)(F)F NXE ~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO NXG 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol +CC(C)NC(=O)Nc1ccncc1 NXH 1-propan-2-yl-3-pyridin-4-yl-urea +CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C NXJ (1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide +B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O NXK 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N NXL (2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +C1CC1c2nc(on2)CC3CCNCC3 NXM 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine +c1cc(c(cc1Cl)Cl)OCC(=O)NCCS NXN 2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide +C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3 NXP n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide +C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O NXQ 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid +c1cnc(nc1)N2CCC(CC2)CO NXS [1-(pyrimidin-2-yl)piperidin-4-yl]methanol +c1c(c2c(o1)CCCC2)C(=O)O NXT 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C NXU (2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl NXV 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid +CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O NXW 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O NXX 1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium +c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl NXY 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid +c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N NXZ 1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one +Cc1nc(cs1)CC(=O)N2CCOCC2 NY1 2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one +c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-] NY2 3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4 NY3 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate +C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N NY4 n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide +c1cc2c(cc1C(=O)O)CCCC2 NY5 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O NY6 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione +Cc1ccc(c(c1)NC(=O)CN)OC NY7 n-(2-methoxy-5-methylphenyl)glycinamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC NY8 ~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3 NY9 n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea +C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C NYA (1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](C)SC[C@@H](C(=O)O)NC NYB n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine +C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O NYC [(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1ccc2cc(c(cc2c1)C(=O)O)N NYE 3-azanylnaphthalene-2-carboxylic acid +c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O NYG [(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +C1CCC(=CC1)[N+](=O)[O-] NYH 1-nitrocyclohexene +Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C NYJ 4,5-dimethyl-3-phenylisoquinolin-1(2h)-one +c1ccc2c(c1)[C@@H](C(=O)N2)CC#N NYK [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile +C=CCNc1ccccc1 NYL n-allyl-aniline +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N NYM 3'-deoxy-3'-aminothymidine monophosphate +C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4 NYN chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate +CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O NYO (5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione +C/[N+](=C\C=C)/CC1CCC=CC1 NYP n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium +c1cc2c(cc1Br)CC(=O)N2 NYQ 5-bromanyl-1,3-dihydroindol-2-one +c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O NYS s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O NYT beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside +CC(C)n1cc(nc1)S(=O)(=O)N NYV 1-(propan-2-yl)-1h-imidazole-4-sulfonamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N NYW [[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N NYZ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +COc1ccc2c(c1)nc(s2)N NZ1 5-methoxy-1,3-benzothiazol-2-amine +C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ2 n-(methylsulfonyl)-n-phenyl-l-alanine +C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C NZ3 n-(methylsulfonyl)-n-phenyl-d-alanine +CC(=O)c1cccc(c1)NC(=O)N2CCOCC2 NZ4 n-(3-acetylphenyl)morpholine-4-carboxamide +CC[C@H](CO)O NZ5 (2~{r})-butane-1,2-diol +CN(C)C(=O)N1CCOC[C@]12CCOC2 NZ7 (5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide +c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl NZ8 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea +c1csc(c1S(=O)(=O)NC2CC2)C(=O)O NZ9 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid +c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl NZA 5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F NZB [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +C[C@H]([C@@H](C(=O)O)NC)O NZC n-methylidene-l-threonine +CN1CCN(CC1)C(=O)Nc2ccccc2 NZD 4-methyl-n-phenylpiperazine-1-carboxamide +CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F NZE [(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine +COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F NZF (3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide +CC(=O)Nc1cc(ccc1F)C(=O)O NZG 3-(acetylamino)-4-fluorobenzoic acid +c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N NZH (2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal +c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O NZI [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate +Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N NZJ 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide +c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN NZL 5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid +C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O NZM cefixime, bound form +CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2 NZN n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 NZO nocodazole +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N NZQ 5,6-dihydroxy-nadp +Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC NZS 6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5 NZT n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide +Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C NZU 6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O NZV ceftriaxone, bound form +C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 NZW ~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide +CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O NZY n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name) +CC(=CCC/C(=C\CO)/C)C NZZ (2z)-3,7-dimethylocta-2,6-dien-1-ol +O O oxygen atom +Cc1c(sc(n1)C)c2cc([nH]n2)CN O01 [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N O02 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N O04 (e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N O05 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O O08 ~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide +[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N O09 (e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid +Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C O0A 3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide +C[C@@H](CC(F)(F)F)[C@@H](C=O)N O0B (2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl O0D (2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid +C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N O0E (2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide +C[C@@H](CO)Nc1c(cc(cn1)Cl)F O0G (2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol +CC(=O)Nc1ccc(cc1)c2csc(n2)N O0J n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide +CC(C)c1ccc(cc1)CN2CCC(CC2)O O0M 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol +CN(Cc1cccc(c1)F)S(=O)(=O)N O0P n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide +c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36 O0Q ~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide +CC(=O)Nc1ccc(cc1)Oc2ncccn2 O0S n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide +C[C@@H](CO)N(C)c1c(cccn1)F O0V (2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol +Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C O0W 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one +CCN(CC)c1cccc(c1)O O0Y 3-(diethylamino)phenol +CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4 O0Z (2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide +CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O O11 (2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol +CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N O12 n~5~-dodecanoyl-l-ornithine +[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N O13 (e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N O14 (e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide +[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N O15 (e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid +c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5 O16 3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium +COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N O17 (2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide +CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N O18 [(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5 O19 (2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide +CC(=O)Nc1ccc(cc1)N2CCN(CC2)C O1A n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide +C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N O1B (2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C O1C 2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3 +c1ccc(cc1)COc2cccc(c2)N O1D 3-(benzyloxy)aniline +CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3 O1E 5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O O1G 3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco pyranose +c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N O1H 4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile +c1ccc(cc1)COCC(=O)O O1J (benzyloxy)acetic acid +c1cc(ccc1N2CCN(CC2)C(=O)N)F O1M 4-(4-fluorophenyl)piperazine-1-carboxamide +CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl O1N dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii) +Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5 O1Q 4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4 O1S 6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one +C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl O1T [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5 O1V 2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C O1W 6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl O1Y n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide +c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N O1Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +O=O O2 oxygen molecule +CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl O21 n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide +CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N O22 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide +c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5 O23 n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide +CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N O25 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC O26 2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1 O27 n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1 O28 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2 O29 n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CNC(=O)c1cccc2c1[nH]cc2 O2A n-methyl-1h-indole-7-carboxamide +Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C O2B 3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O O2C 3'-deoxy-cytidine-5'-monophosphate +c1nncn1NC(=O)CC2CCCCC2 O2D 2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide +C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N O2E (2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 O2G 2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine +CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O2H ~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +COC[C@H]1CN(CCO1)c2ccccn2 O2J (2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine +CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C O2K ~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide +Cc1csc(n1)CNC(=O)c2ccn[nH]2 O2M n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide +COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5 O2N 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1ccc(c(c1)O)NC(=O)c2ccccc2C O2P n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide +Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F O2Q ~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine +C[C@@H]([C@H](CC(C)C)C(=O)O)S O2S (2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-] O2T [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate +C[C@H]([C@@H](CC(C)C)C(=O)O)S O2V (2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid +COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N O2W methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate +c1cc(c(nc1)C(=O)O)SCC(=O)O O2Y 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN O2Z [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid +C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1 O30 n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide +CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C O31 (3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide +Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5 O32 (4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one +CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C O33 (4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide +C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O O34 yersiniabactin +Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C O35 ~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F O37 n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide +Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N O38 6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile +CN(c1ccccc1)C(=O)[C@H]2CCNC2 O3A (3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide +B(c1ccc(cc1)S(=O)(=O)N)(O)O O3B (4-sulfamoylphenyl)boronic acid +c1cc(oc1)CN2CCS(=O)(=O)CC2 O3D 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione +CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC O3E ~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide +c1ccc(cc1)CNCc2ccc(cc2)F O3G n-benzyl-1-(4-fluorophenyl)methanamine +c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4 O3H 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one +CC(=O)N1CCN(CC1)CCCc2ccccc2 O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one +c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O O3M 4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol +C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O O3N (2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C O3P n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide +CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN O3S n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C O3V 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +CN(CCS)C(=O)c1ccccc1 O3W ~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C O3Y 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O O3Z (2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O O40 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid +CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 O41 5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide +c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N O42 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide +c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6 O43 4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide +C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5 O44 4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride +CC(=C)CONC(=O)C(=O)O O45 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid +[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC O47 3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide +CCCCCCCCCCOS(=O)(=O)N O48 decyl sulfamate +Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2 O4A n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide +C1COCCOCCOCCOCCOCCO1 O4B 1,4,7,10,13,16-hexaoxacyclooctadecane +Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C O4D 2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide +CN(CCS)C(=O)c1cccc(c1)Br O4E 3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4 O4G n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide +[OH2][Mn+2]([OH2])([OH2])[OH2] O4M manganese tetrahydrate ion +CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 O4N 5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC O4P n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide +C/C(=C\Cl)/CC=O O4Q (~{e})-4-chloranyl-3-methyl-but-3-enal +CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5 O4S n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide +C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C O4T ~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide +CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N O4V 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine +CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C O4W 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one +C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O O4Y (2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid +c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O4Z 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl O51 (3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide +CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 O53 (2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one +CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C O54 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea +c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N O55 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F O57 10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl O58 {4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid +C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N O59 octane-1,8-diyl disulfamate +c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F O5A trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O O5B trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC O5D [3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone +c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3 O5E (2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC O5G {(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N O5H 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea +COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4 O5J 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione +c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F O5K 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F O5M {(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone +c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F O5N 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4 O5P [(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone +CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C O5S 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br O5T 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea +c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN O5U (2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br O5V 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O O5W [(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4 O5Y 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N O5Z (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N O60 decane-1,10-diyl disulfamate +c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5 O61 n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide +CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O O62 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid +CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F O64 2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide +Cc1c(cc(cc1CO)C(=O)O)CO O65 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde +CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br O67 n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide +CN(CCS)C(=O)c1ccc(cc1)F O68 4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4 O6A n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide +Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C O6D (2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid +CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C O6E 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6G n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide +Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C O6H 2,4,6-trimethyl-l-phenylalanine +CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C O6J n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O O6K ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N O6M 3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O O6P doripenem +c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O O6S (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O6T biotc4-1 cofactor +C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4 O6V (1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate +c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F O6W 4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3 O6Y 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile +CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2 O6Z ~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O O71 (4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid +c1cc2ccnc(c2nc1)N O72 1,7-naphthyridin-8-amine +Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-] O73 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione +c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl O74 6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one +CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3 O75 n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N O77 n-[(3s)-3-amino-3-carboxypropyl]-l-histidine +[H]/N=C\1/CCCC(=C1)C(=O)O O78 (3z)-3-iminocyclohex-1-ene-1-carboxylic acid +C[C@@H]([C@@H](C(=O)O)NC)O O7A n-methyl-l-allothreonine +c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5 O7B (3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one +CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O O7D 4-methoxy-n-methyl-l-tryptophan +CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7E 6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate) +CC(C)[C@@H](C(=O)O)N(C)C O7G n,n-dimethyl-l-valine +c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O O7J n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid +CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C O7K pyrazinoquinolinone +COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O O7M 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate) +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN O7N 1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C O7P 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile +CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C O7Q biotc5-1 cofactor +C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O O7S (3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione +C1=C[P@](=O)(NC(=O)N1)N O7U (2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C O7V (2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O7Y (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 O7Z 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid +CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F O80 n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine +[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O O81 (1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CNCc1ccc2c(c1)c3ccccc3n2CCF O82 1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +CNCc1ccc2c(c1)c3ccccc3n2CC(F)F O83 1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine +c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O O84 [(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid +CN(CCS)C(=O)c1cccc(c1)F O85 3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide +Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F O8A n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide +Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C O8B 2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide +C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O O8D (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-] O8G 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I O8H 4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C O8J (3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone +C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C O8K (4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one +Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N O8M 2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCO O8N octacosan-1-ol +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C O8P (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N O8Q 5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C O8S (2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N O8T 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C O8V (2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate +CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8W 5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCCCC=O O8Y hexanal +CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O8Z 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O O90 {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid +Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC O91 [2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone +CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N O92 3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide +Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F O95 {(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone +CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2 O96 n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4 O97 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide +CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 O98 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C O9A 5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide +CN1CCCC[C@@H]1C(=O)O O9B (2~{r})-1-methylpiperidine-2-carboxylic acid +CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9D 5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide +CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC O9E ~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3 O9G 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide +CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C O9H [(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3 O9J 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide +CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC O9K [(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3 O9M 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide +COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N O9N methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C O9P 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide +Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O O9Q 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C O9S 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide +Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O O9T 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one +CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C O9V 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide +Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl O9W (~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one +Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3 O9Y 2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide +c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F O9Z 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one +c1cc(cc(c1)Br)C(=O)c2cnc(o2)N OA1 (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone +c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N OA2 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide +CC1(Cc2c(c(ncn2)N)C(=O)C1)C OA3 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one +Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 OA4 5-methyl-6-phenylquinazoline-2,4-diamine +c1ccc(cc1)OCCOc2nc(nc(n2)N)N OA5 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine +c1cc(ncc1C(=O)O)O OA7 6-hydroxypyridine-3-carboxylic acid +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O OA8 {[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid +C(C(=O)C(=O)O)C(=O)[O-] OAA oxaloacetate ion +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C OAB {[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid +CC(Cc1ccccc1O)C(=O)O OAC trans-o-hydroxy-alpha-methyl cinnamate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OAD 2'-o-acetyl adenosine-5-diphosphoribose +CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C OAE (2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +C(=O)(C(C(C(=O)O)(F)F)(O)O)O OAF 2,2-difluoro-3,3-dihydroxybutanedioic acid +c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl OAG 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N OAH 9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine +c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O OAI 6-(oxalyl-amino)-1h-indole-5-carboxylic acid +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O OAJ (3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OAK n-(phenylcarbonyl)-beta-d-glucopyranosylamine +c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O OAL (1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid +Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C OAM 4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine +CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OAN o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate +c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3 OAP 4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid +CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OAQ {(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +[H]/N=C(/N)\NCCC[C@@H](CO)N OAR n-(4-amino-5-hydroxy-pentyl)-guanidine +CC(=O)OC[C@@H](C(=O)O)N OAS o-acetylserine +CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N OAV 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide +Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C OAW 2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one +c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl OAX 4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide +c1ccc(c(c1)COC(=O)O)N=[N+]=[N-] OAZ (2-azidophenyl)methyl hydrogen carbonate +c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB1 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB2 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB3 (1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB4 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB5 (1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB6 (1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB7 (1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O OB8 (1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OB9 (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O OBA 2-(oxalyl-amino)-benzoic acid +c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OBB 3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F OBC 2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O OBD 4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-] OBE 3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +C([C@@H](C(=O)O)N)C(F)F OBF (2s)-2-amino-4,4-difluorobutanoic acid +c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N OBG 6-(benzyloxy)-9h-purin-2-amine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O OBH cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O OBI 1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime +CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N OBL 5-methoxybenzimidazolyl-norcobamide +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O OBM 4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O OBN ouabain +c1ccc(c(c1)c2ccccc2[S@@](=O)O)O OBP 2'-hydroxy-1,1'-biphenyl-2-sulfinic acid +CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3 OBQ (3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one +C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O OBS (z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine +c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O OBT (1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide +Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O OBV 12,18-didecarboxy-siroheme +c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O OBW 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4 OBY 5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide +c1ccc(cc1)CON OBZ o-benzylhydroxylamine +[OH2][Ca+2] OC1 calcium ion, 1 water coordinated +[OH2][Ca+2][OH2] OC2 calcium ion, 2 waters coordinated +[OH2][Ca+2]([OH2])[OH2] OC3 calcium ion, 3 waters coordinated +[OH2][Ca+2]([OH2])([OH2])[OH2] OC4 calcium ion, 4 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2] OC5 calcium ion, 5 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2] OC6 calcium ion, 6 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC7 calcium ion, 7 waters coordinated +[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2] OC8 calcium ion, 8 waters coordinated +CCCCCCCCO OC9 octan-1-ol +CCCCCCCC(=O)O OCA octanoic acid (caprylic acid) +CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C OCB octanoylcarnitine +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C OCC 2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3 +CCCCCCCCCCCCCCCCCC=O OCD octadecanal +C(CCCC(=O)O)CCC(=O)O OCE octanedioic acid +Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4 OCG 5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C=CC(=O)N2 OCH quinolin-2(1h)-one +c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N OCJ 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C OCK (3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +[OH2][Co+2] OCL cobalt ion, 1 water coordinated +[OH2][Co+2]([OH2])[OH2] OCM cobalt ion, 3 waters coordinated +[OH2][Co+2][OH2] OCN cobalt ion, 2 waters coordinated +[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2] OCO cobalt ion,6 waters coordinated +CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC OCP octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester +C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N OCQ (3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one +CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O OCR (5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid +C([C@@H](C(=O)O)N)S(=O)(=O)O OCS cysteinesulfonic acid +CCCCCCCC OCT n-octane +CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N OCV n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine +Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC OCW methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate +CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O OCX (5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid +C(CSC[C@@H](C(=O)O)N)O OCY hydroxyethylcysteine +c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N OCZ (1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide +c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN OD1 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide +CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O OD2 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN OD4 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid +C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC OD8 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol +C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O ODA 9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid +[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N ODB (10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide +CCCCC\C=C/C=C/CCCCCCCCC(=O)O ODD (10e,12z)-octadeca-10,12-dienoic acid +CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC ODE diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate +c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4 ODG 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile +c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3 ODH n-(furan-2-ylmethyl)quinoxaline-6-carboxamide +C(CCCCO)CCCO ODI octane-1,8-diol +Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C ODJ n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide +c1ccnc(c1)c2cc([nH]n2)C(=O)O ODK 3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid +C[C@H](CCC=C(C)C)CCO ODM (3r)-3,7-dimethyloct-6-en-1-ol +C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O ODN (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one +C/C(=N\O)/c1ccc(cc1O)O ODO 4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N ODP 4-oxo-nicotinamide-adenine dinucleotide phosphate +CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C ODQ (3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione +CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C ODR (1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol +CN1CCN(CC1)C(=O)O ODS 4-methylpiperazine-1-carboxylic acid +CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O ODT (11e,13e,15z)-octadeca-11,13,15-trienoic acid +C([C@H](O)P(=O)(O)O)N ODV [(1r)-2-amino-1-hydroxyethyl]phosphonic acid +C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O ODW (1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol +CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O ODY (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol +C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O ODZ 2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide +CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3 OE1 2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide +c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O OE2 psammaplin c +c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5 OE4 n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 OE5 5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl OE7 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N OE8 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OEA 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N OEB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn] OEC oxygen evolving system +COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O OED [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid +C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C OEE ~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate +CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br OEF 3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid +C(C(=O)O)OCC(=O)O OEG 2,2'-oxydiacetic acid +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl OEH [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O OEJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid +CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C OEK 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid +CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N OEL (6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-l-gulonic acid +CN[C@H](CC(=O)O)C(=O)O OEM n-methyl-d-aspartic acid +C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2 OEN biapenem imine hydrolysis product +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O OEP 3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid +C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O OEQ biapenem enamine hydrolysis product +O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36 OER sr-mn4-o5 cluster +CCCCCCCC[S@@](=O)CCO OES n-octyl-2-hydroxyethyl sulfoxide +C[CH2] OET ethyl group +Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl OEU n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide +CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO OEV (1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol +CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O OEW ~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate +O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36 OEX ca-mn4-o5 cluster +O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3 OEY ca-mn4-o6 cluster +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4 OEZ ~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide +[OH2][Fe+2] OF1 ferrous ion, 1 water coordinated +O([Fe+3])[Fe+3] OF2 2 ferric ion, 1 bridging oxygen +[OH2][Fe+3] OF3 ferric ion, 1 water coordinated +c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O OF4 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid +CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC OF5 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone +c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OF7 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid +CC(=O)c1cc(c2n1cccn2)c3ccccn3 OF8 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O OFB 3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate +C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F OFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N OFD [2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid +O=[Fe] OFE iron(ii) oxide +c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O OFF 2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F OFG 3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F OFH (4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide +CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O OFI n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N OFJ 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid +CC(=O)c1cc(c2n1cccn2)c3ccccc3 OFK 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone +c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F OFL o-trifluoromethylphenyl anthranilic acid +C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O OFM [(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O OFN ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate +O[Fe]O[Fe] OFO hydroxy diiron-oxo moiety +C1C2CC3CC1CC(C2)C3(CO)N OFQ (2-azanyl-2-adamantyl)methanol +CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 OFT (3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide +C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N OFW (2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide +[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3 OFZ 1-(2-adamantylmethyl)-3-ethyl-guanidine +c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N OG1 2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid +[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2 OG2 1-(1-adamantyl)-3-ethyl-guanidine +c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N OG4 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid +c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O OG5 (3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide +c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N OG7 2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid +[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2 OG8 1-(1-adamantylmethyl)guanidine +C(C(=O)O)NC(=O)C(=O)O OGA n-oxalylglycine +COC(=O)c1cccc2c1ccnc2 OGB methyl isoquinoline-5-carboxylate +c1cc(ncc1Br)NC(=O)NCCO OGE 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea +C(COCC(=O)N)OCC(=O)N OGG 2-(2-carbamoylmethoxy-ethoxy)-acetamide +Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N OGH 4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine +CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O OGJ (2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol +CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O OGK (1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid +COC(=O)NCCCCc1[nH]c(cn1)CO OGM methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O OGN [(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate +Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O OGQ [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium +CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O OGS 4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside +CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O OGT 2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol +C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O OGX 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine +c1ccc(cc1)CCCc2[nH]cc(n2)CO OGY [2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol +c1cc(cc(c1)C(F)(F)F)CN OGZ [3-(trifluoromethyl)phenyl]methanamine +[OH-] OH hydroxide ion +c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO OH1 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide +CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2 OH4 {2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol +C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O OH5 (2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid +CC(=O)NCCCCc1[nH]cc(n1)CO OH7 n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide +CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC OH8 ~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide +CCCCCCC(=O)CCCCCCCCC(=O)O OHA 10-oxohexadecanoic acid +c1ccc(c(c1)C(=O)N)O OHB salicylamide +C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N OHD {(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CCO OHE hydroxyethyl group +Cc1[nH]cc(n1)CO OHG (2-methyl-1h-imidazol-4-yl)methanol +CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O OHH 2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid +C1=NC(=O)N=C1C[C@@H](C(=O)O)N OHI 3-(2-oxo-2h-imidazol-4-yl)-l-alanine +CCCCc1[nH]cc(n1)CO OHJ (2-butyl-1h-imidazol-4-yl)methanol +CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4 OHK ~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide +COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO OHL n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O OHM 3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide +CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O OHN n-3-oxo-dodecanoyl-l-homoserine lactone +C1CCC(CC1)NC(=O)O OHO cyclohexane aminocarboxylic acid +c1ccc(c(c1)CC(=O)O)O OHP (2-hydroxyphenyl)acetic acid +C([C@H](C(=O)O)N)C(=O)OSC(=O)O OHS o-(carboxysulfanyl)-4-oxo-l-homoserine +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 OHT 4-hydroxytamoxifen +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O OHU 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate) +c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO OHV benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F OHW 4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine +N[Os](N)(N)(N)(N)N OHX osmium (iii) hexammine +CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C OHY 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one +c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F OHZ 1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea +CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-] OI1 3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O OI7 1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose +c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O OIA [(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid +C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O OIC octahydroindole-2-carboxylic acid +c1cn(cn1)CCCCCCCCCC(=O)O OID 10-(1h-imidazol-1-yl)decanoic acid +CC[C@H](C)[C@@H](C(=O)O)O OIL (2s,3s)-2-hydroxy-3-methylpentanoic acid +CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N OIM [(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 OIN (1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate +c1cn(cn1)CCCCCCCC(=O)O OIO 8-(1h-imidazol-1-yl)octanoic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O OIP 2'-deoxy-inosinic acid +C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S OIR n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine +Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O OIS (s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide +CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl OJ1 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one +c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F OJ2 1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea +c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N OJ4 4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide +c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 OJ5 4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine +Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl OJ7 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole +c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O OJ8 (s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol +CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F OJA 1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate +CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C OJB 5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide +c1ccc(cc1)CC[C@@H]2CC(=O)NC2 OJD (4r)-4-(2-phenylethyl)pyrrolidin-2-one +c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO OJG n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide +C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4 OJH ~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide +COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 OJJ methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate +c1c(c(cc(c1O)Cl)O)CN OJK 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol +CCOC(=O)CCc1[nH]cc(n1)CO OJM ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate +C=CC(=O)NCCCCc1[nH]cc(n1)CO OJP n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O OJQ [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O OJT (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O OJW (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid +c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO OJY 5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline +c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O OK1 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O OK2 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid +[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O OK3 (4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid +C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C OK4 n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide +Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O OK5 (2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid +CC(=O)Nc1cccs1 OK7 n-(thiophen-2-yl)acetamide +c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O OK8 (2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid +C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O OKA okadaic acid +COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O OKD n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid +COc1cccc(c1O)CO OKE 2-(hydroxymethyl)-6-methoxy-phenol +C(CC(=O)O[O-])C(=O)O OKG 4-peroxy-4-oxobutanoic acid +c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl OKH 2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl OKI (2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide +c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ (2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal +CCNc1nc(nc(n1)O)NC(C)C OKM 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O OKN 5'-methyl-2'-deoxycytidine-5'-phosphorothioate +C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C OKO n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide +B(CCCCCNCCCN)(O)O OKP {5-[(3-aminopropyl)amino]pentyl}boronic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O OKQ 2'-o-methylcytidine-5'-phosphorothioate +C(CCCC(=O)NO)CCCN OKS 8-amino-n-hydroxyoctanamide +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O OKT 2'-o-methyluridine-5'-phosphorothioate +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F OKV 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F OKY 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one +CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O OKZ 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide +c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O OL1 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N OL2 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1 OL3 n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2 OL4 n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine +CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1 OL5 n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OL7 methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate +c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3 OL8 ~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide +CCCCCCCC\C=C/CCCCCCCC(=O)O OLA oleic acid +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O OLB (2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O OLC (2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate +c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br OLD 3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine +CC(C)C[C@@H](C(=O)O)O OLE 2-hydroxy-4-methyl-pentanoic acid +Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O OLF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)O OLI oleic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C OLJ (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O OLM olmesartan +CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O OLN (s)-2-acetamido-5-ureidopentanoic acid +Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO OLO olomoucine +CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO OLP 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine +COc1ccc(c(c1F)C(=O)N)F OLQ 2,6-difluoro-3-methoxybenzamide +C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2 OLS n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine +C[C@H]([C@@H](C(=O)O)N)OC OLT o-methyl-l-threonine +c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3 OLU 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C OLV cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate +c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3 OLW 3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile +Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C OLY methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate +C(COC[C@@H](C(=O)O)N)N OLZ o-(2-aminoethyl)-l-serine +COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4 OM1 (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium +CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3 OM2 (r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium +C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4 OM3 (r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium +COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl OM4 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene +CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C OM7 (2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide +c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F OM8 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide +CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O OMA 10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid +[CH2][O] OMB oxymethylene bridging group +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O OMC o2'-methylycytidine-5'-monophosphate +c1cc(c(cc1O)CC(=O)O)O OMD 2-(3,6-dihydroxyphenyl)acetic acid +C[O] OME methoxy group +COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl OMF 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O OMG o2'-methylguanosine-5'-monophosphate +CO[P@](=O)(O)OC[C@@H](C(=O)O)N OMH o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine +CN1CC(=O)c2c1cccc2 OMI 1-methyl-1,2-dihydro-3h-indol-3-one +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O OMJ (3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid +Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F OMK (2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl OMM 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid +Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F OMN 4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol +O[Mo+6](=O)O OMO mo(vi)(=o)(oh)2 cluster +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O OMP orotidine-5'-monophosphate +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O OMR [(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C OMS 1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CS(=O)(=O)CC[C@@H](C(=O)O)N OMT s-dioxymethionine +CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O OMU o2'-methyluridine 5'-monophosphate +CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C OMV 1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F OMW 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide +c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O OMX (betar)-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O OMY (betar)-3-chloro-beta-hydroxy-l-tyrosine +c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O OMZ (betar)-3-chloro-beta-hydroxy-d-tyrosine +c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O ON0 (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside +c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl ON1 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl ON2 n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide +Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC ON3 1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ON4 1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O ON5 (z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid +c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl ON6 (2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one +Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC ON7 {1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid +[H]/N=C(/N)\NOCC[C@@H](C=O)N ON8 1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine +CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC ON9 3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONA 3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) +c1ccc2c(c1)C=Cc3ccccc3N2 ONB 5h-dibenzo[b,f]azepine +Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5 ONC 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one +c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N OND 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide +C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O ONE 1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O ONG {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone +C(C[C@@H](C(=O)O)N)CNO ONH n~5~-hydroxy-l-ornithine +Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3 ONJ (1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O ONK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +CC(=O)CC[C@@H](C(=O)O)N ONL 5-oxo-l-norleucine +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O ONM 3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate +c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N ONN 2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid +CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC ONO 2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid +[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F ONP o-nitrophenyl aminoethyldiphosphate beryllium trifluoride +COc1ccc(cc1)C(=O)NCC(=O)N ONQ ~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide +c1cc(c(cc1Cl)c2ccno2)O ONR 4-chloro-2-isoxazol-5-yl-phenol +Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl ONS (2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid +C[C@@H](COCCOC)N ONT (2~{s})-1-(2-methoxyethoxy)propan-2-amine +c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O ONV 4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid +C[C@H](CO[C@H](C)COCCOC)N ONW (2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine +CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O ONX n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide +Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C ONY 2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide +c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O ONZ 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid +Cc1ccc(cc1)NC(=O)O OO1 (4-methylphenyl)carbamic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO2 [(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OO4 methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4 OO5 [(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid +Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4 OO7 n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea +c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O OO8 [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid +CCCCCC(=O)CC(=O)O OOA 3-oxooctanoic acid +c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O OOB 5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine +CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OOC octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4 OOD 2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N OOE 2',2'-difluoro-3',3'-cgamp +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl OOF 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid +C(CC(=O)C(=O)O)CC(=O)O OOG 2-oxoadipic acid +CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O OOH 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione +CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1 OOJ n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea +c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl OOK 4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O OOM n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide +CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOO ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O OOP 1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOQ (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate +CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOS (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide +CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOU (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide +CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 OOV (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C OOW {[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid +c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5 OOY n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide +CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C OOZ (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN OP0 (2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O OP1 1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline +C(COCCOCCOCCOCCOCC(=O)O)O OP2 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid +CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F OP4 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC OP5 (1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OP7 methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C OP8 (1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone +C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OPA 2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid +CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 OPB 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione +CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC OPC (7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide +CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O OPD 9r,13r-12-oxophytodienoic acid +C(COP(=O)(O)O)N OPE phosphoric acid mono-(2-amino-ethyl) ester +CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O OPF (2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O OPG oxiranpseudoglucose +COC(=O)[C@H](Cc1ccccc1)O OPH 2-hydroxy-3-phenyl-propionic acid methyl ester +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O OPI pantothenyl-aminoethanol-11-pivalic acid +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OPJ (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N OPK (2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid +C[C@H]([C@H](C=O)O)C(O)O OPL (2r,3r)-2,4,4-trihydroxy-3-methylbutanal +CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O OPM pentyl alpha-d-mannopyranoside +c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O OPN {(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid +c1ccc(c(c1)[N+](=O)[O-])O OPO o-nitrophenol +C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O OPP 1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione +CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O OPQ ((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide) +[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N OPR (5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid +C(CSC(=O)CC[S-])C=O OPS 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate +c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5 OPT s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide +C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPV ~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC OPW ~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide +C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O OPX (1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid +C1CCN(CC1)C(=O)[C@H](CCN)N OPY (3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine +C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O OPZ ~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide +CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O OQ1 (3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol +CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ2 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O OQ5 20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid +COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQ7 methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate +CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC OQ8 ~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide +CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQA (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O OQB 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid +c1cc(c(cc1CN)Cl)c2ccoc2 OQC [3-chloranyl-4-(furan-3-yl)phenyl]methanamine +CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQD (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O OQE [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQG (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +CCNC(=O)CCC(=O)c1ccccc1 OQH ~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide +COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl OQJ n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide +Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F OQM 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide +CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N OQN 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O OQP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate +CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N OQQ 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO OQR {(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol +COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F OQS n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide +c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F OQT 2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F OQW 2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide +CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC OQY (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N OQZ (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C OR1 (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate +c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O OR4 [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid +C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O OR5 open form of ribofuranose-5'-phosphate +CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl OR7 2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide +Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C OR8 2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide +CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O OR9 (6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol +c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O ORA 7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid +Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F ORB n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide +Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C ORC (r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide +C(C[C@H](C(=O)O)N)CN ORD d-ornithine +c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F ORE 4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid +C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N ORG 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile +c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F ORH 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile +c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O ORI 4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid +CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F ORJ 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O ORK (2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid +CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl ORM 2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide +C(C[C@@H](C(=O)O)N)CN ORN l-ornithine +C1=C(NC(=O)NC1=O)C(=O)O ORO orotic acid +C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O ORP 2-deoxy-5-phosphono-ribose +CC(=O)NCCC[C@@H](C(=O)O)N ORQ n~5~-acetyl-l-ornithine +CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C ORS dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium +C(CC(=O)NN)[C@@H](C=O)N ORT (4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide +C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC ORV (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1 ORW 1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O ORX n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine +[Os+3] OS osmium ion +c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O OS1 ruthenium octasporine +C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS2 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N OS3 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol +[Os+4] OS4 osmium 4+ ion +c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N OS5 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N OS6 (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N OS7 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC OS8 (4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide +c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O OSA 7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid +c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O OSB 2-succinylbenzoate +c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O OSC (2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N OSD 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine +C([C@@H](C(=O)O)N)OS(=O)(=O)O OSE o-sulfo-l-serine +CCCCCCCCOS(=O)(=O)[O-] OSF octyl sulfate +CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSG 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine +CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C OSJ 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine +C([C@H](C(=O)O)O)OS(=O)(=O)O OSL (2r)-2-hydroxy-3-(sulfooxy)propanoic acid +C(N)[S@@H]=O OSM 1-(oxidosulfanyl)methanamine +C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC OSN (4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one +c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N OSP sulthiame +C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F OSQ (3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide +C(CCC(=O)O)C[C@@H](CCSCN)SSCCO OSS 6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid +CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC OST methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O OSU n-octanoylsucrose +CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O OSV ruthenium octasporine 4 +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N OSW metala-carborane di-propyl-sulfonamide +Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N OSY 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N OSZ 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C OT1 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O OT2 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N OT4 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine +CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl OT5 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone +c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F OT8 ~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine +C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O OTA 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid +CC(C)(C)OC(=O)O OTB tertiary-butoxyformic acid +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O OTC oxytetracycline +C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O OTD 2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid +CCCCCCCCOCCOCCOCCOCCO OTE 2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol +c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F OTF (1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide +Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O OTG 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose +C[C@H]([C@@H](C(=O)O)NC)OC OTH n,o-dimethyl-l-threonine +COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl OTJ methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate +CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C OTK (3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate +c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl OTM (2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide +c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O OTN 2-nitrophenyl 1-thio-beta-d-galactopyranoside +CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C OTP (2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate +c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-] OTQ (2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one +c1cc(ccc1[C@H](CN)O)O OTR 4-(2r-amino-1-hydroxyethyl)phenol +c1cc(ccc1[C@@H](CN)O)O OTS 4-(2s-amino-1-hydroxyethyl)phenol +C/C=C/C=C/C=C/C(=O)O OTT (2e,4e,6e)-octa-2,4,6-trienoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O OTU 3-o-alpha-d-glucopyranosyl-d-fructose +Cc1cc(nc2c1cc(cc2)N)N OTW 4-methylquinoline-2,6-diamine +c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY 2-hydroxy-l-tyrosine +c1c(nc(o1)CN)c2nc(cs2)C(=O)O OTZ 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N OU1 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine +CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4 OU2 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N OU4 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4 OU5 (5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N OU7 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine +Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N OUA 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine +c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N OUB (s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione +Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O OUC (3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +C([C@@H](CNC(=O)O)N)C(=O)O OUD (3~{s})-3-azanyl-4-(carboxyamino)butanoic acid +C(CC(=O)O)[C@@H](CNC(=O)O)N OUE (4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid +Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N OUG 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine +c1c([nH]cn1)C[C@@H](CNC(=O)O)N OUH [(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid +CC[C@H](C)[C@@H](CNC(=O)O)N OUI [(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N OUJ 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(CC[NH3+])C[C@@H](CNC(=O)O)N OUK [(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium +c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N OUL 4-(4-aminocarbonylphenoxy)benzamide +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N OUM 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N OUP 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine +CC1(CO[C@@H](CN1)c2cccc(c2)F)C OUQ (2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine +C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N OUR [azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium +Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N OUS 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine +C(=O)(N)O OUT carbamic acid +CNc1ccnc(c1)C(=O)NC OUW ~{n}-methyl-4-(methylamino)pyridine-2-carboxamide +COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O OUY methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate +CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2 OUZ ~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV1 n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O OV2 n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +C(C(=O)O)S[C@H](C(=O)O)N OV7 (2r)-amino[(carboxymethyl)sulfanyl]acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N OV8 [(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C OVA 3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N OVB [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N OVE 2'-o-(sulfidophosphinato)adenosine +CCCCOc1ccc2c(c1)occ2CC(=O)O OVG (6-butoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N OVH [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O OVJ {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N OVK [(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +COc1cccc(c1)C(=O)O OVM 3-methoxybenzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N OVN [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CSc1cccc(c1)C(=O)O OVP 3-(methylsulfanyl)benzoic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N OVQ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O OVS (6-phenoxy-1-benzofuran-3-yl)acetic acid +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N OVT [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +Cc1cccc(c1)C(=O)O OVV 3-methylbenzoic acid +CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OVW [(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O OVY (2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N OVZ [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N OW2 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CNc1cccc(c1)C(=O)O OW4 3-(methylamino)benzoic acid +CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N OW5 [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CCOc1cccc(c1)C(=O)O OW7 3-ethoxybenzoic acid +CNC(=O)c1c2c([nH]n1)CCC2 OW8 ~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide +CN1C[C@H](CC1=O)CC(=O)OC OWA methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate +CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4 OWB ~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide +c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl OWD {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid +COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC OWG 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one +CNC(=S)c1cccnc1 OWH ~{n}-methylpyridine-3-carbothioamide +Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C OWJ (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N OWK metala-carborane di-ethyl-sulfonamide +c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4 OWL n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N OWM (2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3 OWN methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N OWP (2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2 OWQ 3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine +Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N OWS (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one +CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O OWT ~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide +CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N OWV (2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one +C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O OWW 3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide +CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C OWY 4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide +C[C@H]1CO[C@@H](CN1)c2ccccc2Cl OWZ (2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine +O OX bound oxygen +CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O OX1 [2'-carboxylethyl]-10-methyl-anthracene endoperoxide +Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O OX2 (1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol +c1cc(ccc1C=NOC(=O)C2CCCCC2)O OX3 4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O OX4 3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime +CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O OX5 4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime +CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C OX6 tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C OX7 tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate +CC[O] OXA oxydimethylene group +Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C OXB 3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide +C1(NC(=O)NC(=O)N1)C(=O)O OXC oxonic acid +C(=O)(C(=O)O)O OXD oxalic acid +Cc1ccccc1C OXE ortho-xylene +C12=NC(=O)N=C1N=C(NC2=O)N OXG 8-oxoguanine +CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O OXI oxolinic acid +CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F OXJ 1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine +CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O OXK oxalyl-coenzyme a +C(=O)(C(=O)[O-])[O-] OXL oxalate ion +C(=O)(C(=O)O)N OXM oxamic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO OXN oxtoxynol-10 +O OXO oxo group +C\C=C/C(=O)C(=O)O OXP 2-oxo-3-pentenoic acid +c1(c(non1)O)C(=O)O OXQ 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid +CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C OXR 4-oxoretinol +C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O OXS 2-oxalosuccinic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O OXT 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C OXV ~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide +CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F OXW 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile +C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-] OXX oxalyl-aspartyl anhydride +O=O OXY oxygen molecule +C1[C@H]([C@@H]([C@H](ON1)CO)O)O OXZ tetrahydrooxazine +CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C OY0 (2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide +CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC OY2 methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate +CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F OY4 n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY5 ca ix mimic +B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N OY8 metala-carborane di-ethyl-sulfonamide +CCCCCCCC=O OYA octanal +COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2 OYB ~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine +CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO OYD 6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O OYE bn7gpppg mrna 5' cap analog +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C OYG 6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl OYJ (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +CNc1c2c(ncn1)n(cn2)C OYK ~{n},9-dimethylpurin-6-amine +CCn1cc(nc1)C[C@@H](C(=O)O)N OYL 1-ethyl-l-histidine +CNc1c2c([nH]cn2)nc(n1)Cl OYN 2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine +CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O OYP 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid +CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N OYQ (4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide +c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N OYS 2-phenyl-n-(4-sulfamoylphenyl)acetamide +CNc1c2c(ncn1)n(cn2)C3CC3 OYT 9-cyclopropyl-~{n}-methyl-purin-6-amine +CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O OYV 1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol +c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl OYW 4-cl-bn7gpppg mrna 5' cap analog +CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N OYZ (2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N OZ1 4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC OZ2 (2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O OZ4 (7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one +CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C OZ5 (2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid +C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O OZ7 (8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one +c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 OZ8 4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one +CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C OZA (5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO OZD 6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZE (((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate +COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O OZG [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid +CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O OZH (2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid +c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O OZJ 2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N OZK 3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide +c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O OZM (6-benzyl-1-benzofuran-3-yl)acetic acid +Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl OZN 2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide +c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O OZP 9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine +CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC OZQ 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-] OZR n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-] OZS n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +C[C@@H]1[C@H](NC(=O)O1)C(=O)O OZT (4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N OZV 5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine +c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N OZW phenylhydrazinyl phenylalanine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O OZY (1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-] OZZ n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O P 2'-deoxy-n1,n2-propano guanosine monophosphate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O P00 (2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl P01 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol +CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N P02 n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide +C(COCCCOCCO)COCCO P03 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol +c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2 P04 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N P05 d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide +CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F P06 dabrafenib +CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5 P07 1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole +Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4 P08 pik-108 +Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O P09 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid +C(CCC(=O)O)C[C@H](C(=O)O)N P0A (2r)-2-aminoheptanedioic acid +CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2 P0B 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione +CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O P0C 6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one +C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O P0D (2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC P0E phosphatidyl ethanol +c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F P0F 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol +Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O P0G 8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one +c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O P0H n-[(benzyloxy)carbonyl]glycyl-l-proline +OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O P0J 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone +CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2 P0K 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione +CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O P0L (2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid +CC1(CO[C@@H](CN1)c2ccccc2Cl)C P0N (2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine +Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O P0P [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate +C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl P0Q (2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine +OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O P0S 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone +CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O P0T cannabidiol +c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O P0V 9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine +CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 P0W 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N P0Y (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid +CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C P0Z 3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide +c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3 P10 [1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C P11 imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide +[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC P12 4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium +c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN P13 n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine +COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N P14 n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine +COCCOCCOCCOCCOCCOCCO P15 2,5,8,11,14,17-hexaoxanonadecan-19-ol +CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl P16 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one +CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl P17 6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one +c1ccc(cc1)C(=O)CCO P18 3-hydroxy-1-phenylpropan-1-one +c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4 P19 n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine +CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O P1A 2,3,14,20,22-pentahydroxycholest-7-en-6-one +CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3 P1B (5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione +CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O P1C deacetoxycephalosporin-c +c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O P1D ((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid +CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F P1E 4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide +CCCCCCc1ccc(c(c1)O)Oc2ccccc2N P1F 2-(2-azanylphenoxy)-5-hexyl-phenol +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N P1G ((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid +CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O P1H {(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O P1J n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine +B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O P1K phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid +CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N P1L s-palmitoyl-l-cysteine +CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br P1M (3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC P1O 1,2-didecanoyl-sn-glycero-3-phosphocholine +C(C[O-])CO[P+](=O)[O-] P1P 3-{[oxido(oxo)phosphino]oxy}propan-1-olate +C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl P1Q 1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol +c1cncnc1 P1R pyrimidine +c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O P1S (6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O P1T 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid +CC(=CCO)C P1W 3-methylbut-2-en-1-ol +COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O P1Y 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid +CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 P1Z 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione +c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl P20 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid +COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl P21 4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide +CCO[P@](=O)(O)OP(=O)(O)O P22 ethyl dihydrogen diphosphate +CCCO[P@@](=O)(O)OP(=O)(O)O P23 propyl trihydrogen diphosphate +C(CCNCCN)CN P24 1-(aminoethyl)amino-4-aminobutane +CCCCCO[P@@](=O)(O)OP(=O)(O)O P25 pentyl trihydrogen diphosphate +CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C P26 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid +c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F P27 {[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid) +CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O P28 3',5'-dinitro-n-acetyl-l-thyronine +c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N P29 4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C P2A 1,2-diethanoyl-sn-glycero-3-phosphate +c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4 P2B 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol +c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl P2C 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid +CC(=O)CC(=O)C P2D pentane-2,4-dione +CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O P2E (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid +CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O P2F 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N P2G (2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid +c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O P2H 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium +CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C P2I 1,2-diacetoyl-sn-glycero-3-phosphoinositol +CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O P2J 9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine +C(COCCOCCOCCOCCOCCO)O P2K polyethylene glycol peg2000 +CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl P2L 4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one +c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3 P2M n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O P2N (5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione +C#CCN1CCOC1=O P2O 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one +c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O P2P n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine +c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P2Q 2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine +CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O P2S (2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid +CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O P2T 2'-o-propyl thymidine-5-monophosphate +C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O P2U 2'-deoxy-pseudouridine-5'monophosphate +CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N P2X 2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol +C1C[C@H](NC1)CN P2Y (2s)-pyrrolidin-2-ylmethylamine +CN(C)CCCN1c2ccccc2Sc3c1cccc3 P2Z promazine +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6 P30 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea +c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F P31 5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine +CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O P32 4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile +C(COCCOCCOCCOCCOCCOCCO)O P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol +CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2 P34 n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide +c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O P35 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol +c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3 P36 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one +Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5 P37 n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6 P38 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6 P39 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC P3A phosphatidylglycerol-phosphoglycerol +CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O P3B (3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid +Cl[Pt-](Cl)Cl P3C trichloroplatinate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O P3D (4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O P3E [[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O P3F phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester +CCOCCOCCOCCOCCOCC P3G 3,6,9,12,15-pentaoxaheptadecane +CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O P3H [(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate +CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3 P3I n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide +c1cc(cnc1)c2cc([nH]n2)N P3J 3-(pyridin-3-yl)-1h-pyrazol-5-amine +c1cc(c(c(c1)O)O)C#N P3K 2,3-bis(oxidanyl)benzenecarbonitrile +Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C P3N n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide +C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O P3P (2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid +c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N P3Q 2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine +C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N P3S l-methionine-s-sulfoximine phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O P3T (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl P3U 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N P3V (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate +CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC P3Y 5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide +COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O P3Z (s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol +Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 P40 n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide +CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F P41 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine +CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O P42 (2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F P43 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4 P44 2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl P45 2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O P46 (3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide +c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl P47 (2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid +CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C P48 n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4 P49 1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid +Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC P4A 4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol +C[C@@H](N[C@H](CCN)C(=O)O)O P4B (2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid +C(COCCOCCOCCOCCOCCOCC=O)O P4C o-acetaldehydyl-hexaethylene glycol +c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O P4D (2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid +c1ccc(cc1)C=CC[C@@H](C(=O)O)N P4E (2s,4e)-2-amino-5-phenylpent-4-enoic acid +C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O P4F 5,5-difluoro-4-oxo-5-phosphono-d-norvaline +CCOCCOCCOCC P4G 1-ethoxy-2-(2-ethoxyethoxy)ethane +c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O P4H [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone +c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O] P4J [(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium +CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO P4K polyethylene glycol +c1ccnc(c1)c2nc3c(c(n2)O)CSCC3 P4L 2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F P4N 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one +c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O P4O 2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one +c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 P4P tetraphenylphosphonium +c1cc2c(c(ncn2)N)nc1 P4Q pyrido[3,2-d]pyrimidin-4-amine +C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O P4S (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide +Cc1c(sc(n1)Nc2ccccc2)C(=O)C P4T 2-phenylamino-4-methyl-5-acetyl thiazole +CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O P4U 4-propyl, uridine-5'-monophosphate +CN(C)S(=O)(=O)c1cccc2c1ccnc2 P4W ~{n},~{n}-dimethylisoquinoline-5-sulfonamide +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O P4Y 5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid +CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl P4Z (2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC P50 (19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3 P51 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol +CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N P52 nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O P53 2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside +Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N P54 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine +CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N P55 2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile +c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4 P57 3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole +CN(Cc1ccccc1)C(=S)S P58 benzyl(methyl)carbamodithioic acid +c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F P59 (2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N P5A '5'-o-(n-(l-prolyl)-sulfamoyl)adenosine +CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N P5B n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide +Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N P5C 2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide +c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O P5D (2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O P5E [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate +CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O P5F n-propargylglycine-modified flavin adenine dinucleotide +COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O P5G 4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol) +CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C P5H 6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide +Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6 P5J (3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4 P5K 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O P5M 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium +c1cc(ccc1C=O)n2ccnc2 P5N 1-(4-methylphenyl)imidazole +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P5P purine riboside-5'-monophosphate +Cc1ccc(cc1)n2cncn2 P5Q 1-(4-methylphenyl)-1,2,4-triazole +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC P5S o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N P5T meta-nidocarborane propyl-sulfonamide +c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N P5U o-[(4-cyanophenyl)sulfonyl]-l-serine +c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2 P5V (3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one +c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O P5W 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid +c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F P5Y n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide +c1ccc(c(c1)c2c(nco2)C(=O)O)F P60 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid +CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P61 (2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl P62 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione +CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N P63 n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide +CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N P64 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine +Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl P65 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine +c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F P66 4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide +C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br P68 1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea +c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F P69 (2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one +Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3 P6A 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole +c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O P6B (3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol +CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N P6C 2-amino-4-isopropyl-pteridine-6-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-] P6D 2'-azidocytidine +C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6F 1,6-di-o-phosphono-d-fructose +C(COCCOCCOCCOCCOCCO)O P6G hexaethylene glycol +CS(=O)(=O)c1ccccc1CO P6H (2-methylsulfonylphenyl)methanol +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C P6J n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide +CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC P6L (2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate +C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6M (4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine +C[C@H]1CCc2ccccc2C1=O P6N (2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O P6P 6-o-phosphono-alpha-d-fructofuranose +B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N P6Q meta-carborane propyl-sulfonamide +c1ccc(cc1)COC(=O)O P6S benzyl hydrogen carbonate +C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O P6T 1,6-di-o-phosphono-d-tagatose +C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F P6U (4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine +c1cc(ccc1CN)C(=O)NO P6V 4-(aminomethyl)-n-hydroxybenzamide +C(CC(=O)N)CC(=O)N P6W pentanediamide +c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO P6Y n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide +c1cc(cc(c1)n2ccnc2)C=O P6Z 3-imidazol-1-ylbenzaldehyde +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O P70 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine +CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O P71 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid +[H]/N=C(\c1ccc(cc1)O)/N P72 4-oxidanylbenzenecarboximidamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C P74 tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N P75 4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide +C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O P76 n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P77 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine +CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4 P78 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3 P79 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea +CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4 P7A 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4 P7B 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea +CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C P7C 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea +CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO P7D resminostat +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O P7E 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde +CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3 P7F (2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid +CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O P7G 7-propyl, guanosine-5'-monophosphate +B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N P7H meta-carborane di-propyl-sulfonamide +C(CP(=O)(O)O)N P7I (2-aminoethyl)phosphonic acid +CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C P7J 4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide +C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O P7K (3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br P7M n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C P7N ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O P7Q (3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione +CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N P7S n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide +C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O P7T 4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde +c1cc(ccc1c2nc(co2)C(=O)NO)Br P7V 2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide +c1ccc(c(c1)/C=C/[N+](=O)[O-])O P7Y 2-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N P7Z ortho-carborane di-propyl-sulfonamide +c1cc(cc(c1)O)/C=C/[N+](=O)[O-] P80 3-[(e)-2-nitroethenyl]phenol +c1cc(ccc1/C=C/[N+](=O)[O-])O P81 4-[(e)-2-nitroethenyl]phenol +B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N P82 para-carborane di-propyl-sulfonamide +CCn1c2ccccc2c3c1ccc(c3)CNC P83 1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine +CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I P84 2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F P85 n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I P86 2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol +C1CCN(C1)C(=O)CC[C@H]2CCOC2 P87 3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one +Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid +CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O P89 [6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate +B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N P8B para-carborane propyl-sulfonamide +C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O P8D phosphinate pseudodipeptide l-ala-d-asp +C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O P8E 5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O P8G (2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol +c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3 P8H 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O P8J methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside +c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N P8M 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C P8N (~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC P8P (2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C P8Q (s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide +C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F P8S heptadecafluoro-1-octanesulfonic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C P8T ~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide +Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N P8V 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid +CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3 P8W 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one +C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O P8X desmethyl-hba +CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P8Y (2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol +CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C P8Z 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one +c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5 P90 {4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid +Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl P91 8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide +c1ccc2c(c1)NC(=S)O2 P92 3~{h}-1,3-benzoxazole-2-thione +c1cocc1CNC(=O)N2CCCC2 P93 n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide +c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N P94 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile +c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3 P95 ~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide +CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3 P96 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N P97 d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide +CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4 P98 2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline +c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F P99 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide +C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O P9A 3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N P9B 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2 P9C 3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid +CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-] P9D [{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate +c1cc2c(cc1S(=O)(=O)N)NC(=S)O2 P9E 2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O P9G diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum +c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N P9H (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O P9I 1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one +Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4 P9J 4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one +CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C P9K n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide +CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3 P9L 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one +Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C P9M n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C P9N pregnanolone +c1cc(c(cc1N(=O)=O)Cl)O P9P 2-chloranyl-4-nitro-phenol +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN P9Q (1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol +C([C@H](CSC[C@@H](C(=O)O)N)O)O P9S dihydroxypropylcysteine +c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F P9T [(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O P9V (2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol +c1cc(ccc1OCCCn2ccnc2)Cl P9Y 1-[3-(4-chlorophenoxy)propyl]-1h-imidazole +c1ccc(cc1)[As]=O PA0 phenylarsine oxide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O PA1 2-amino-2-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N PA2 paromomycin (ring 2) +C1[C@H](CO[C@@H]1CO)O PA3 paromomycin (ring 3) +C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N PA4 paromomycin (ring 4) +C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O PA5 5-phosphoarabinonic acid +CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O PA6 (r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate +CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PA7 n-propyl carboxyamido adenosine +CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC PA8 1,2-dioctanoyl-sn-glycero-3-phosphate +CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O PA9 n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine +c1cc(ccc1C(=O)O)N PAB 4-aminobenzoic acid +c1ccc(cc1)CC(=O)O PAC 2-phenylacetic acid +c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O PAD 5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide +C(C(=O)O)P(=O)(O)O PAE phosphonoacetic acid +CC(C)(CO)[C@H](C(=O)[O-])O PAF pantoate +C([C@H](C(=O)O)OP(=O)(O)O)O PAG 2-phospho-d-glyceric acid +C(C(=O)NO)P(=O)(O)O PAH phosphonoacetohydroxamic acid +C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O PAI {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid +CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PAJ pantoyl adenylate +c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2 PAK 9-cyano paullone +C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O PAL n-(phosphonacetyl)-l-aspartic acid +CCCCCC\C=C/CCCCCCCC(=O)O PAM palmitoleic acid +C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O PAN 5-phospho-d-arabinohydroxamic acid +C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O PAO n-(phosphonoacetyl)-l-ornithine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N PAP 3'-phosphate-adenosine-5'-diphosphate +c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N PAQ 2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N PAR paromomycin +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PAS 2-amino-4-oxo-4-phosphonooxy-butyric acid +c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O PAT alpha-phosphono-tryptophan +CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O PAU pantothenoic acid +C[C@@]1(C([C@H](CO1)O)(O)O)O PAV (2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran +C(CNCCNCCNCCN)N PAW n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O PAX 5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate +C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PAY octane-1,3,5,7-tetracarboxylic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O PAZ n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine +[Pb+2] PB lead (ii) ion +CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O PB0 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide +C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O PB1 3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid +c1ccc(cc1)c2ccc(cc2)Cn3ccnc3 PB2 1-(biphenyl-4-ylmethyl)-1h-imidazole +Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C PB3 n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide +Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F PB4 n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide +c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3 PB5 n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide +CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O PB6 3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium +CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C PB7 (2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide +CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C PB8 (2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide +Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5 PB9 methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate +B(CCc1ccccc1)(O)O PBA phenylethane boronic acid +c1cc(ccc1CSC[C@@H](C(=O)O)N)Br PBB s-(4-bromobenzyl)cysteine +B(c1ccccc1)(O)O PBC phenyl boronic acid +COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2 PBD 1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea +C[N+]1(CCC[C@H]1C(=O)O)C PBE 1,1-dimethyl-prolinium +c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N PBF para-(benzoyl)-phenylalanine +c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O PBG 3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid +CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6 PBH (11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O PBI [2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde +CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PBK 5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine +CC(CC(C)(O)O)(O)O PBL pentane-2,2,4,4-tetrol +C[Pb+](C)C PBM trimethyl lead ion +c1ccc(cc1)CCCCN PBN 4-phenylbutylamine +CCCC(=O)c1cccnc1 PBO 1-pyridin-3-ylbutan-1-one +c1cc(ccc1C(=O)CBr)Br PBP p-bromophenacyl bromide +c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br PBQ pentabromopseudilin +c1(c(c(c(c(c1Br)Br)Br)Br)Br)O PBR pentabromophenol +CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O PBS (2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PBT [3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate +CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC PBU (2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate +CCc1cccc(n1)N PBV 6-ethylpyridin-2-amine +C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O PBW (1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +c1cc(c(c(c1O)O)O)Br PBX 4-bromobenzene-1,2,3-triol +c1cc(cc(c1)Cl)Nc2cc(ncn2)N PBY n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine +c1cc(ccc1C(=[NH2+])N)N PBZ p-amino benzamidine +C[N+](C)(C)CCOP(=O)(O)O PC phosphocholine +CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C PC0 1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC1 1,2-diacyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC PC2 di-stearoyl-3-sn-phosphatidylcholine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C PC3 coproporphyrin i containing co(iii) +Cl[Pt-2](Cl)(Cl)Cl PC4 tetrachloroplatinate(ii) +CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC PC5 1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine +CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C PC6 7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C PC7 (7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC PC8 1,2-dioctanoyl-sn-glycero-3-phosphocholine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br PC9 (7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide +C1CC(=O)N[C@@H]1C(=O)O PCA pyroglutamic acid +CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl PCB 4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl +C1CC(=O)N[C@@H]1C(=O)O PCC 5-oxoproline +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O PCD (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v) +C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O PCE 2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC PCF 1,2-diacyl-sn-glycero-3-phoshocholine +c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N PCG cyclic guanosine monophosphate +c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O PCH 3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol +c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O PCI pentachlorophenol +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC PCJ (2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br PCK (7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide +Cl[Pt]Cl PCL platinum(ii) di-chloride +CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 PCM 1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C PCN 2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid +CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O PCO 2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide +C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O PCP 1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate +c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl PCQ 3,5,3',5'-tetrachloro-biphenyl-4,4'-diol +Cc1ccc(cc1)O PCR p-cresol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS phenylalanylmethylchloride +C(C(=O)N)P(=O)(O)O PCT phosphonoacetamide +CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PCU cu(ii)meso(4-n-tetramethylpyridyl)porphyrin +C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O PCV 5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid +CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC PCW 1,2-dioleoyl-sn-glycero-3-phosphocholine +[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O PCX deoxyguanidinoproclavaminic acid +Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O PCY pactamycin +CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O PCZ (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +[Pd+2] PD palladium ion +CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC PD1 1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea +c1cnc(cc1C(=O)O)C(=O)O PD2 pyridine-2,4-dicarboxylic acid +c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N PD3 1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4 PD4 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one +CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N PD5 1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea +CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3 PD6 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one +CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC PD7 (2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate +c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N PD8 phosphorylated dihydropteroate +CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N PD9 (~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O PDA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid +C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F PDB 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +c1cc(nc(c1)C(=O)O)C(=O)O PDC pyridine-2,6-dicarboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O PDD n-(5'-phosphopyridoxyl)-d-alanine +C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PDE para-nitrophenyl phosphonobutanoyl d-alanine +C1[C@H](NCC1(F)F)C(=O)O PDF 4,4-difluoro-l-proline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O PDG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid +c1ccc(cc1)C[C@H](CO)N PDH (2s)-2-amino-3-phenyl-1-propanol +C(CO)COP(=O)(O)O PDI phosphoric acid mono-(3-hydroxy-propyl) ester +CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC PDJ (2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC PDK (10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PDL n-(5'-phosphopyridoxyl)-l-alanine +c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O PDM 4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid +C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C PDN 17,21-dihydroxypregna-1,4-diene-3,11,20-trione +C(CO)CO PDO 1,3-propandiol +Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O PDP pyridoxal-5'-diphosphate +Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N PDQ 3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione +Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl PDR 3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine +Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C PDS 3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione +C(CS)CS PDT 1,3-propanedithiol +CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O PDU 5(1-propynyl)-2'-deoxyuridine-5-monophosphate +O[V]1(O[V](O1)([O-])[O-])([O-])[O-] PDV divanadate ion +COC(=O)[C@H]1CCCN1 PDW methyl d-prolinate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O PDX 2,3-di-o-sulfo-alpha-d-glucopyranose +CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C PDY n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine +c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl PDZ 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one +c1cnc2c(n1)C(=O)NC(=N2)N PE0 pterine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O PE1 n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine +c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N PE2 9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol +CCOCCOCCOCCOCCOCCOCCOCCO PE4 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol +CCOCCOCCOCCOCCOCCOCCOCCOCCO PE5 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol +C(COCCOCCOCCOCCOCCOP(=O)(O)O)O PE6 phosphoryl-hexaethylene glycol +C(COCCOCCOCCOCCOCCOCCS)O PE7 1-deoxy-1-thio-heptaethylene glycol +C(COCCOCCOCCOCCOCCOCCOCCO)O PE8 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol +CCCCCO PE9 pentan-1-ol +c1ccc(cc1)CC[NH3+] PEA 2-phenylethylamine +CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C PEB phycoerythrobilin +CCCCCSSC[C@@H](C(=O)O)N PEC s,s-pentylthiocysteine +CC[C@@H]([C@@H](COP(=O)(O)O)O)O PED pentane-3,4-diol-5-phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC PEF di-palmitoyl-3-sn-phosphatidylethanolamine +C(COCCO)O PEG di(hydroxyethyl)ether +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC PEH di-stearoyl-3-sn-phosphatidylethanolamine +CCCCC(=O)O PEI pentanoic acid +[O-]I(=O)(=O)=O PEJ periodate +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC PEK (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate +c1ccc(cc1)CCO PEL 2-phenyl-ethanol +CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl PEM 2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid +OO PEO hydrogen peroxide +C=C(C(=O)O)OP(=O)(O)O PEP phosphoenolpyruvate +C[C@@H](C(=O)O)OP(=O)(O)O PEQ l-phospholactate +[O-][O-] PER peroxide ion +[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N PET 1,5-di(4-amidinophenoxy)-3-oxa-pentane +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO PEU 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PEV (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PEW (1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC PEX 1,2-didecanoyl-sn-glycero-3-phosphoethanolamine +c1ccc2c(c1)ccc3c2cccc3 PEY phenanthrene +CCC(C(=O)O)OP(=O)(O)O PEZ 2-(phosphonooxy)butanoic acid +c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N PF proflavine +Cc1c(cccc1O)C(=O)O PF0 3-hydroxy-2-methylbenzoic acid +Cc1ncc(c(n1)N)CN(CCO)C=O PF1 n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide +c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F PF2 2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine +c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4 PF3 (2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid +COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC PF4 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole +C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N PF5 2,3,4,5,6-pentafluoro-l-phenylalanine +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5 PF6 2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline +c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O PF7 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5 PF8 2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5 PF9 2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline +Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3 PFA [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil +C(c1c(c(c(c(c1F)F)F)F)F)O PFB 2,3,4,5,6-pentafluorobenzyl alcohol +CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C PFC phenylferricrocin-iron +CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F PFD 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione +CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO PFE {4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol +c1cc(ccc1C[C@@H](C(=O)O)N)F PFF 4-fluoro-l-phenylalanine +C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O PFG 10-parpargyl-5,8-dideazafolate-4-glutamic acid +COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4 PFH 6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline +CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3 PFI (6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one +COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4 PFJ 6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline +COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3 PFK 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline +CC(C)c1cccc(c1O)C(C)C PFL 2,6-bis(1-methylethyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O PFM 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate +C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O PFN fenoprofen +c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F PFO 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine +COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO PFP 2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol +c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO PFQ 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol +COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5 PFR 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline +CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C PFS (2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate +c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O PFT 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol +C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O PFU (1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O PFV (6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid +COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6 PFW 7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline +c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O PFX (2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium +Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl PFY (3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O PFZ 1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane +COCCOCCO PG0 2-(2-methoxyethoxy)ethanol +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C PG1 penicillin g acyl-serine +CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O PG2 prostaglandin d2 +C(CNC(=[NH2+])N)CO PG3 guanidine-3-propanol +C(COCCOCCOCCO)O PG4 tetraethylene glycol +COCCOCCOCCOC PG5 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane +COCCOCCOCCOCCOCCOC PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N PG7 ((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate +CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC PG8 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol) +c1ccc(cc1)[C@H](C(=O)O)N PG9 d-phenylglycine +C(C(=O)O)OP(=O)(O)O PGA 2-phosphoglycolic acid +C(C(=O)NO)OP(=O)(O)O PGC o-phosphoglycolohydroxamate +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N PGD 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide +C(COCCOCCO)O PGE triethylene glycol +CCOCCOCCOCCOC PGF 2,5,8,11-tetraoxatridecane +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O PGG para-nitrophenylphosphonobutanoyl-glycine +C(C(=O)NO)OP(=O)(O)O PGH phosphoglycolohydroxamic acid +c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O PGI (5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol +CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O PGJ 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PGK (1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate +C(N)P(=O)(O)O PGL (aminomethyl)phosphonic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O PGM 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N PGN 2'-deoxyguanosine-3',5'-diphosphate +C[C@@H](CO)O PGO s-1,2-propanediol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N PGP guanosine-3',5'-diphosphate +C[C@@H](CO)O PGQ s-1,2-propanediol +C[C@H](CO)O PGR r-1,2-propanediol +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O PGS 2-deazo-6-thiophosphate guanosine-5'-monophosphate +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O PGT (1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PGU n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC PGV (1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC PGW (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate +CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO PGX 7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid +c1ccc(cc1)[C@H](C(=O)O)N PGY phenylglycine +Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O PGZ methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside +c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O PH0 n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C PH1 1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane +C1C(=NC2=C(N1)N=C(NC2=O)N)CO PH2 2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one +c1cc(ccc1NC(=N)NO)Cl PH3 n-(chlorophenyl)-n'-hydroxyguanidine +C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O PH4 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate +CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O PH5 benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O PH6 (4s)-4-cyclohexyl-l-proline +c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O PH7 (2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid +c1ccc(cc1)CCC[C@@H](C(=O)O)N PH8 5-phenyl-l-norvaline +c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br PH9 (2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid +c1ccc(cc1)C[C@@H](C=O)N PHA phenylalaninal +c1cc(ccc1C(=O)O)O PHB p-hydroxybenzoic acid +C[C@@H](c1ccccc1)N(C)C=O PHC n-methyl-n-(methylbenzyl)formamide +C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O PHD aspartyl phosphate +c1ccc(cc1)C[C@@H](C(=O)O)N PHE phenylalanine +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 l-phenylalanine c-terminal deprotonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H l-phenylalanine c-terminal protonated fragment +c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH l-phenylalanine free neutral +c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW l-phenylalanine free zwitterion +c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL l-phenylalanine - linking embedded fragment +c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 l-phenylalanine n-terminal protonated fragment +O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O PHF hf-oxo-phosphate cluster phf +c1ccc(cc1)[Hg] PHG phenylmercury +C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1 PHH 4,5,6,7-tetrachloro-phthalide +c1cc(ccc1C[C@@H](C(=O)O)N)I PHI iodo-phenylalanine +c1ccc(cc1)NC(=O)ON PHJ n-[(aminooxy)carbonyl]-n-phenylamine +c1ccc(cc1)C[C@@H]([C@H](CCl)O)N PHK (2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol +c1ccc(cc1)C[C@@H](CO)N PHL l-phenylalaninol +c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM (3s)-3-amino-1-chloro-4-phenylbutan-2-one +c1cc2ccc3cccnc3c2nc1 PHN 1,10-phenanthroline +CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C PHO pheophytin a +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 PHP (2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid +c1ccc(cc1)COC(=O)Cl PHQ benzyl chlorocarbonate +C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O PHR 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate +OP(=O)O PHS phosphonic acid +c1ccc(c(c1)C(=O)O)C(=O)O PHT phthalic acid +c1ccc(cc1)NC(=O)N PHU 1-phenylurea +COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O PHV n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide +CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6 PHW n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide +c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 PHX 4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid +C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O PHY 1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid +c1ccc(cc1)NN PHZ 1-phenylhydrazine +OP(=O)([O-])[O-] PI hydrogenphosphate ion +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N PI0 (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI1 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O PI2 2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide +CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O PI3 11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione +CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O PI4 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O PI5 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O PI6 [1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester +CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O PI7 n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide +CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O PI8 n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide +CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N PI9 (10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene +C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N PIA [(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC PIB 2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O PIC 6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid +CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C PID peridinin +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC PIE 1,2-diacyl-sn-glycero-3-phosphoinositol +CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIF (2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate +C(COCCOCCO)O PIG 2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol +c1ccc(cc1)I PIH iodobenzene +CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O PII 2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC PIK (2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate +COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl PIL 3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide +c1ccc(cc1)c2cnc[nH]2 PIM 4-phenyl-1h-imidazole +C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O PIN piperazine-n,n'-bis(2-ethanesulfonic acid) +CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC PIO [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate +C1CCNCC1 PIP piperidine +Cn1c2cc(cnc2nc1N)c3ccccc3 PIQ 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine +c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N PIR 2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol +OP(=O)(O)O[P@](=O)(O)[S-] PIS trihydrogen thiodiphosphate +c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O PIT piceatannol +Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C PIU 1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium +CC(C)(C)C(=O)O PIV pivalic acid +c1ccc(cc1)n2ccnc2 PIW 1-phenyl-1h-imidazole +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O PIX 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +c1ccc(cc1)c2[nH]ccn2 PIY 2-phenyl-1h-imidazole +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC PIZ (2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate +CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl PJ1 (2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol +CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O PJ2 (5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid +CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl PJ4 (1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline +C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO PJ5 (1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol +c1c(coc1C(=O)O)N PJ7 4-aminofuran-2-carboxylic acid +CCCCCCCCCCCCCCCCC PJ8 heptadecane +Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O PJA 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid +COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O PJB 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid +c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F PJC 3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione +CS(=O)(=O)Cc1c(cccc1Cl)Cl PJD 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene +C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N PJE (e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid +C1C2CC3CC1CC(C2)(C3)NCCN PJG n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine +CNC(=O)c1cccnc1 PJH ~{n}-methylpyridine-3-carboxamide +c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O PJJ (2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid +c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl PJK (3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid +C(/C=N/C(=O)/C=C/O)C(=O)O PJL (3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid +c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F PJM n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide +CCN(CC)S(=O)(=O)c1ccc(cc1)C PJP n,n-diethyl-4-methylbenzene-1-sulfonamide +CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO PJQ 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione +Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F PJS n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide +Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O PJT (9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one +c1ccc(c(c1)Oc2cccnn2)Br PJV 3-(2-bromophenoxy)pyridazine +c1ccc2c(c1)-c3ccccc3I2 PJW benzo[b][1]benziodole +CN(C)C(=O)c1cccnc1SC PJY n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide +CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC PJZ (2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate +C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O PK0 4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile +C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O PK1 (5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one +CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N PK2 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N PK3 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1cccc(c1F)S(=O)(=O)NC PK4 2-fluoro-n,3-dimethylbenzene-1-sulfonamide +CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C PK5 2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide +CNS(=O)(=O)c1cccs1 PK6 n-methyl-2-thiophenesulfonamide +c1cc(c(cc1CN)Cl)F PK7 1-(3-chloro-4-fluorophenyl)methanamine +c1cc[n+]2c(c1)S[Zn]O2 PK8 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene +CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1 PK9 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate +CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl PKA n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide +CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F PKB 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine +c1ccc(cc1)C[C@@H]([C@@H](CN)O)N PKC (2r,3s)-1,3-diamino-4-phenylbutan-2-ol +c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl PKD (4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid +CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C PKE ~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide +C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O PKF carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome +CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5 PKG (3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid +Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5 PKJ n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide +Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl PKL n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C PKM 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid +CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C PKP 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one +C[N@@]1CCC[C@H]1C(=O)O PKR (2s)-1-methylpyrrolidine-2-carbaldehyde +C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O PKS 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3 PKT tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate +CNC(=O)c1cc(c[nH]1)Br PKU 4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide +B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O PKV [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O PKY [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O PKZ palmitoyl-coa +[H]/N=C(/N)\Nc1ccccc1 PL0 1-phenylguanidine +Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PL1 cobalt (iii)-deglycopepleomycin +[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O PL2 (4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +CCCCCCCCCCCCCCCCO PL3 hexadecan-1-ol +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL4 (2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O PL5 (2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O PL6 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid +c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O PL7 (2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O PL8 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate +CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C PL9 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O PLA 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid +c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl PLB 2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid +CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC PLC diundecyl phosphatidyl choline +CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC PLD di-heneicosanoyl phosphatidyl choline +CC(C)C[C@H](N)P(=O)(O)O PLE [(1r)-1-amino-3-methylbutyl]phosphonic acid +C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2 PLF 2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O PLG n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC PLH methylamino-phenylalanyl-leucyl-hydroxamic acid +CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PLI (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid +COC(=O)[C@@H]1CCCN1 PLJ methyl l-prolinate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O PLK (3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid +C1C2[Pd]1C2 PLL palladium(ii) allyl complex +CCCCCCCCCCCCCCCC(=O)O PLM palmitic acid +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C PLO (3beta)-3-hydroxypregn-5-en-20-one +Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O PLP pyridoxal-5'-phosphate +C1=CC(=O)C=CC1=O PLQ 1,4-benzoquinone +Cc1c(cnc(c1O)C)COP(=O)(O)O PLR (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O PLS [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O PLT [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane +CC(C)C[C@H](N)P(=O)(O)O PLU leucine phosphonic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O PLV n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine +CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N PLW (2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid +CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C PLX (9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol +CCCCCCCCCCCCCCCC=O PLY palmitoyl +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O PLZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O PM0 premithramycin b +c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N PM1 [2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone +c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN PM2 1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine +c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O PM3 2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM4 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate +CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM5 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate +c1[nH]c2c(n1)c(ncn2)S PM6 9h-purine-6-thiol +CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C PM7 (5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one +CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O PM8 s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate +CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O PM9 (2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid +c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O PMA pyromellitic acid +c1cc(ccc1S(=O)(=O)O)[Hg] PMB para-mercury-benzenesulfonic acid +c1cc(c(nc1)C(=O)O)CP(=O)(O)O PMC 3-(phosphonomethyl)pyridine-2-carboxylic acid +c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N PMD [n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine +COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N PME n-l-alpha-aspartyl l-phenylalanine 1-methyl ester +c1ccc(cc1)CS(=O)(=O)F PMF phenylmethylsulfonyl fluoride +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O PMG n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O PMH (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc2c(c1)CC(C2)(N)P(=O)(O)O PMI (2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N PMJ n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide +CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O PMK (4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate +C(CCC(=O)O)CCC(=O)O PML pimelic acid +c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O PMM pterin-6-yl-methyl-monophosphate +C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2 PMN platensimycin +COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PMO n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole +Cc1c(c(c(cn1)COP(=O)(O)O)CN)O PMP 4'-deoxy-4'-aminopyridoxal-5'-phosphate +c1ccc(cc1)CNC(=O)O PMQ benzylcarbamic acid +CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C PMR protochlorophyllide +c1ccc(cc1)CS(=O)(=O)O PMS phenylmethanesulfonic acid +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O PMT phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester +CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O PMU (3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol +C[C@@](CCOP(=O)(O)O)(CC(=O)O)O PMV (3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid +CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC PMW methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate +COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O PMX 3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine +Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O PMY aglycon of peplomycin +CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C PMZ 1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone +CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C PN0 prinomastat +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C PN1 (2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O PN2 4'-(3-aminopropionic) phosphopantetheine +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O PN3 tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate +CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O PN4 (2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide +CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O PN5 (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate +CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2 PN6 (3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O PN7 n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O PN8 (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNA 4-nitrophenyl alpha-d-mannopyranoside +c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-] PNB 4-nitro-benzylphosphonobutanoyl-glycine +c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-] PNC para-nitrobenzyl glutaryl glycinic acid +c1cc(ccc1NN)[N+](=O)[O-] PND p-nitrophenylhydrazine +CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNE para-nitrophenyl phosphonobutanoyl l-alanine +c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O PNF 6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid +c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNG 4-nitrophenyl alpha-d-glucopyranoside +CCCC(=O)C PNH pentan-2-one +CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 PNI tetra[n-methyl-pyridyl] porphyrin-nickel +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N PNJ 4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C PNK (2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCC=O PNL propanal +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C PNM open form - penicillin g +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C PNN penicillin g +C[P@](=O)(N)O PNO p-methyl aminophosphinic acid +C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] PNP methyl-phosphonic acid mono-(4-nitro-phenyl) ester +[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F PNQ p-nitrophenyl aminoethyldiphosphate beryllium trifluoride +CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] PNR 4-nitrophenyl hexadecanoate +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O PNS 4'-phosphopantetheine +c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N PNT 1,5-bis(4-amidinophenoxy)pentane +C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N PNU 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C PNV (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PNW 4-nitrophenyl beta-d-glucopyranoside +CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C PNX 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O PNY (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +c1cc(ccc1CN)[N+](=O)[O-] PNZ p-nitro-benzylamine +CC[C@H](Cc1ccccc1)N PO0 1-benzyl-(r)-propylamine +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC PO1 (9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate +[O-]P=O PO2 hypophosphite +[O-][P-](=O)[O-] PO3 phosphite ion +[O-]P(=O)([O-])[O-] PO4 phosphate ion +CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O PO5 (2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol +c1ccc(cc1)OCC(=O)N PO6 2-phenoxyacetamide +CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2 PO7 (6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione +C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O PO8 (1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O PO9 [(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate +C(C=O)P(=O)(O)O POA phosphonoacetaldehyde +CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O POB 2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid +C[N+](C)(C)CCOP(=O)(O)O POC phosphocholine +COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4 POD 9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N POF (4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate +C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O POG (20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol +C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3 POH (1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin +Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O POI n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine +c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4 POJ n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea +[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O POK 2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid +CCCO POL n-propanol +C[C@H]1C(=O)C[C@H](N1)C(=O)O POM cis-5-methyl-4-oxoproline +N=[P@@](O)([O-])O[P@](=O)(O)[O-] PON imido diphosphate +C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O POO 3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid +O[P@@](=O)([O-])O[P@@](=O)(O)[O-] POP pyrophosphate 2- +CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O POQ bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate +c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8 POR porphyrin fe(iii) +CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3 POS 1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol +CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl POT (1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate +CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC POU peloruside a +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC POV (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate +c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3 POW diperodon +COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N POX 4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime +CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C POY 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F POZ 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol +CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C PP0 ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate +Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N PP1 1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N PP2 1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O PP3 alanyl-pyridoxal-5'-phosphate +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O PP4 methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3 PP5 methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate +CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC PP6 methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide] +CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C PP7 methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate +CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC PP8 2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester +Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C PP9 protoporphyrin ix +B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O PPB 1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O PPC 1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O PPD 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O PPE 4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium +C(=O)(O)P(=O)(O)O PPF phosphonoformic acid +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O PPG (2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)C[C@H](N)P(=O)(O)O PPH [(1r)-1-amino-2-phenylethyl]phosphonic acid +CCC(=O)O PPI propanoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O PPJ n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline +N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O PPK (diphosphono)aminophosphonic acid +CC(C)(C)NC(=O)[C@@H]1CCCCN1 PPL piperidine-2-carboxylic acid tert-butylamide +CP(=O)(O)O PPM phosphonomethyl group +c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] PPN para-nitrophenylalanine +c1nc2c(c(n1)O)N=NC2 PPO 3h-pyrazolo[4,3-d]pyrimidin-7-ol +c1ccc(cc1)C[C@@H](CO)O PPP 3-phenyl-1,2-propandiol +C[P@](=O)(CC[C@@H](C(=O)O)N)O PPQ phosphinothricin +C(C(=O)C(=O)O)P(=O)(O)O PPR phosphonopyruvate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N PPS 3'-phosphate-adenosine-5'-phosphate sulfate +Cc1ccc(cc1)CCC(=O)O PPT 3-(p-tolyl)propionic acid +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PPU puromycin-5'-monophosphate +OP(=O)(O)OP(=O)(O)O PPV pyrophosphate +c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N PPW 7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N PPX [phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine +c1ccc(cc1)CC(=O)C(=O)O PPY 3-phenylpyruvic acid +c1ccn2c(c1)nc3c2ncnc3NCCO PPZ 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol +c1c(c2c([nH]1)N=C(NC2=O)N)C#N PQ0 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN PQ1 phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester +CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O PQ2 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid +C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C PQ3 n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide +c1cc(ccc1/C=C(/C(=O)O)\N)O PQ4 (2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid +c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O PQ5 7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5 PQ7 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium +CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O PQ8 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid +CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C PQ9 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone +c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F PQA [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone +c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F PQB [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone +c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N PQC 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide +c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N PQD 7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine +CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO PQE 3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol +c1ccc(cc1)C2CCC(CC2)(C(=O)O)N PQG cis-1-amino-4-phenylcyclohexane-1-carboxylic acid +Cc1c(cc([nH]1)C(F)(F)F)C(=O)O PQH 2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid +CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C PQJ fos-choline-14 +Cc1cc(c(n1C2CC2)C)C(=O)O PQK 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cc(cnc1)c2ccc(cc2)C(=O)O PQM 4-(pyridin-3-yl)benzoic acid +CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C PQN phylloquinone +c1cc(ccc1C(=O)O)n2ccnc2 PQP 4-(1h-imidazol-1-yl)benzoic acid +c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O PQQ pyrroloquinoline quinone +CN(c1ccc(c(c1)O)O)N=O PQR 4-[methyl(nitroso)amino]benzene-1,2-diol +c1ccnc(c1)c2ccc(cc2)C(=O)O PQS 4-(pyridin-2-yl)benzoic acid +c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl PQT (3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid +C1CCCN(CC1)CCNC(=O)/C=N/O PQV (2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide +[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N PQW n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide +C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O PQY (2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] +Cc1cc(c(n1CC2CC2)C)C(=O)O PQZ 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +[Pr+3] PR praseodymium ion +C[C@H]([C@H](Cc1ccccc1)N)O PR0 3(s)-amino-4-phenyl-butan-2(r)-ol +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1 PR1 4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine +c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1 PR2 thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide +CCCSSC[C@@H](C=O)N PR3 s,s-propylthiocysteine +C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O PR4 1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline +c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O PR5 purine riboside-5'-monophosphate +C(C(=O)O)C(=O)Cl PR6 3-chloro-3-oxopropanoic acid +C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O PR7 1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N PR8 5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine +C1C[C@@H](NC1)C(=O)N PR9 d-prolinamide +c1ccc(cc1)CCCN PRA 3-phenylpropylamine +C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O PRB 13-acetylphorbol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4 PRC n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide +C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N PRD n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine +C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O PRE prephenic acid +c1c(c2c([nH]1)N=C(NC2=O)N)CN PRF 7-deaza-7-aminomethyl-guanine +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O PRH 6-hydroxy-1,6-dihydro purine nucleoside +C1C[C@H](NC1)C=O PRI pyrrolidine-2-carbaldehyde +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O PRJ (2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid +CCC(=O)NCCCC[C@@H](C(=O)O)N PRK n~6~-propanoyl-l-lysine +c1cc(cc2c1cc3ccc(cc3n2)N)N PRL proflavin +CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PRM 3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium +c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O PRN purine 2'-deoxyribo-5'-monophosphate +C1C[C@H](NC1)C(=O)O PRO proline +C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 l-proline c-terminal deprotonated fragment +C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H l-proline c-terminal protonated fragment +C1C[C@H](NC1)C(=O)O PRO_LFOH l-proline free neutral +C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW l-proline free zwitterion +C1C[C@H]([N-]C1)[C-]=O PRO_LL l-proline - linking embedded +C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 l-proline n-terminal protonated fragment +C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O PRP 1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose +c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-] PRQ (3s)-3-amino-3-(2-nitrophenyl)propanoic acid +C[n+]1cccc(c1)C[C@@H](C(=O)O)N PRR 3-(methyl-pyridinium)alanine +C1[C@H](NCS1)C(=O)O PRS thioproline +[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O PRT phosphoribosyl atp +C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O PRU (3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid +c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-] PRV (2r)-amino(2-nitrophenyl)ethanoic acid +C([C@H]([C@H](C(=O)O)O)O)N PRW (2r,3r)-4-amino-2,3-dihydroxybutanoic acid +CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O PRX adenosine-5'-monophosphate-propyl ester +CCCc1ccccc1N PRY 2-propyl-aniline +CC(C)Cc1c(nccn1)OC PRZ 2-isobutyl-3-methoxypyrazine +C[C@@H]([C@H](Cc1ccccc1)N)O PS0 3(s)-amino-4-phenyl-butan-2(s)-ol +CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC PS1 1,2-didecanoyl-sn-glycero-3-[phospho-l-serine] +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br PS2 o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine +CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N PS4 n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide +[S-]SSS[S-] PS5 pentasulfide-sulfur +CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC PS6 o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine +CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C PS7 {(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl PS8 2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +S1SSSSSSS1 PS9 octathiocane +c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N PSA 3-hydroxy-4-amino-5-phenylpentanoic acid +c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO PSB 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC PSC (7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N PSD 5'-o-[n-(prolyl)-sulfamoyl]adenosine +C([C@H](COP(=O)(O)O)N)O PSE o-phosphoethanolamine +CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC PSF 1,2-dicaproyl-sn-phosphatidyl-l-serine +c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PSG 4-nitrophenyl 1-thio-beta-d-glucopyranoside +c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N PSH 1-thiophosphono-l-histidine +C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N PSI methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate +C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O PSJ d-psicose +CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O PSK [(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid +[O-]S(=O)(=O)OS(=O)(=O)[O-] PSL pyrosulfate +CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N PSM n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide +c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O PSN benzyl 2-formylphenyl hydrogen phosphate +Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO PSO 4'-hydroxymethyl-4,5',8-trimethylpsoralen +c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO PSP 1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime +C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O PSQ ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O PSR thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2 PSS (2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O PST thymidine-5'-thiophosphate +C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PSU pseudouridine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O PSV alpha-d-psicofuranose +C([C@@H](C(=O)O)N)[Se]S PSW 3-(sulfanylselanyl)-l-alanine +CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O PSX [(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid +C=CS(=O)(=O)Oc1ccccc1 PSY phenyl ethenesulfonate +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O PSZ 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid +[Pt+2] PT platinum (ii) ion +CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O PT0 (r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid +c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O PT1 pteroic acid +c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5 PT2 [ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+) +CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O PT3 n-propyl-tartramic acid +[Pt+4] PT4 platinum (iv) ion +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC PT5 [(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate +Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3 PT6 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one +c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl PT7 chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+) +C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2 PT9 [pt(h2bapbpy)] platinum +CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O PTA [(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid +CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2 PTB (5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone +CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O PTC 2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid +C(CC=O)CC=O PTD pentanedial +C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S PTE tungstopterin cofactor +CSCc1ccccc1 PTF [(methylsulfanyl)methyl]benzene +CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O PTG (5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid +c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O PTH ce1-methylene-hydroxy-phosphotyrosine +c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O PTI 2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol +CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O PTJ 5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine +c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O PTK pyrene-1,3,6,8-tetrasulfonic acid +CCCCC=O PTL pentanal +C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N PTM alpha-methyl-o-phosphotyrosine +[NH3][Pt+2]([NH3])[NH3] PTN platinum triamine ion +CN1[C@H]2CC[C@@H]1CC(C2)O PTO pseudotropine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O PTP thymidine-3',5'-diphosphate +c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O PTQ 2-phenylethyl 1-thio-beta-d-galactopyranoside +c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O PTR o-phosphotyrosine +C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N PTS (4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide +COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O PTT tungstopterin +CCSC(=Nc1ccccc1)N PTU 2-ethyl-1-phenyl-isothiourea +c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3 PTV 2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone +C1N2CN3CN1CP(C2)C3 PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane +CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O PTX {[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid +CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN PTY phosphatidylethanolamine +Cc1c(nc(s1)N)c2ccccc2 PTZ 5-methyl-4-phenyl-1,3-thiazol-2-amine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O PU puromycin-n-aminophosphonic acid +CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC PU0 9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N PU1 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine +COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC PU2 8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC PU3 9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC PU4 9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC PU5 9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine +CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4 PU6 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- +CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC PU7 9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine +CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC PU8 9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine +COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N PU9 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N PUA adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate] +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PUB phycourobilin +CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O PUC (5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O PUD 6-deoxy-l-psicose +c1ccc(cc1)N2CC[C@H](C2)C(=O)O PUE (3~{r})-1-phenylpyrrolidine-3-carboxylic acid +C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O PUF 6-deoxy-alpha-l-psicofuranose +C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O PUG 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O PUJ (1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium +c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N PUK n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine +C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC PUL (1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside +[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O PUM (1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol +CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C PUN 2,2,4,4,6,6,8-heptamethylnonane +C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O PUP (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate +c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O PUQ pelargonidin 3-o-beta-d-glucoside +c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O PUR purine riboside +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O PUS (e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine +C(CCN)CN PUT 1,4-diaminobutane +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4 PUV 2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C(CCNC(=O)CP(=O)(O)O)CN PUW n-(phosphonoacetyl)-putrescine +CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4 PUX 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine +CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O PUY puromycin +COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC PUZ 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine +c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O PV0 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol +c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br PV1 (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone +c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV2 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol +CCCc1ccc(c(c1)O)Oc2ccccc2 PV4 2-phenoxy-5-propyl-phenol +Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F PV5 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile +C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4 PV7 4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O PV8 4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol +CC(C)[C@H](N)P(=O)(O)O PVA 1-amino-2-methyl-propylphosphonic acid +CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O PVB purvalanol b +CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O PVC (2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid +c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O PVE (1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium +CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVG phycoviolobilin, green light-absorbing form +COC(=O)[C@H](Cc1c[nH]c[nH+]1)N PVH histidine-methyl-ester +C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5 PVJ 2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVK (s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione +CC(=O)C=O PVL pyruvoyl group +CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7 PVM 2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid +CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PVN phycoviolobilin +CC(C(=O)O)(O)O PVO 2,2-bis(oxidanyl)propanoic acid +Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl PVP 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol +C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N PVQ (s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione +C=CS(=O)(=O)c1ccccc1 PVS (ethenylsulfonyl)benzene +c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F PVT 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one +C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3 PVV 2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide +COCCN1c2c([nH]cn2)C(=O)NC1=S PVW 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O PVX n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine +CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O PVY 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium +CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O PVZ [1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) +c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F PW1 [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium +COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O PW2 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +CC(=O)N1CCNC(=O)C1 PW3 4-acetyl-piperazin-2-one +Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O PW5 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid +c1cnc(nc1C(F)(F)F)N PW7 4-(trifluoromethyl)pyrimidin-2-amine +c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O PW8 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid +c1cc2c(cc1F)N=CNC2=O PWA 7-fluoroquinazolin-4(3h)-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+] PWB 3',3'-c-[2'fdamp-2'fdam(ps)] +c1c[nH]c2c1cc(cn2)F PWD 5-fluoro-1h-pyrrolo[2,3-b]pyridine +CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O PWE (2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate +COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 PWF 2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F PWG 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine +CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C PWH 3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F PWJ 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile +C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O PWK 4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol) +c1cc2c(c(c1)F)C(=O)NC=N2 PWM 5-fluoroquinazolin-4(3h)-one +c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O PWN 2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid +c1cc2c(cc1F)C(=O)NC=N2 PWP 6-fluoroquinazolin-4(3h)-one +c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O PWQ 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid +CN1C(=O)C=C(N=C1SC)C(F)(F)F PWS 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one +c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O PWT 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid +Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3 PWU isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N PWV 5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile +c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O PWW 4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid +COc1ccc2cc(ccc2c1)CC(=O)O PWY (6-methoxynaphthalen-2-yl)acetic acid +CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O PWZ (5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid +[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O PX1 (1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde +CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC PX2 1,2-dilauroyl-sn-glycero-3-phosphate +COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4 PX3 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC PX4 1,2-dimyristoyl-sn-glycero-3-phosphocholine +c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O PX5 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC PX6 1,2-dipalmitoyl-sn-glycero-3-phosphate +CN1c2ccccc2S(=O)(=O)NC1=O PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC PX8 1,2-distearoyl-sn-glycero-3-phosphate +CCCCOc1ccc(cc1)OCCCN2CCOCC2 PX9 pramocaine +Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXA 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine +CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C PXB parecoxib +c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O PXC phenazine-1,6-dicarboxylic acid +COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC PXD 2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide +CC1=CC(=O)C(=CC1=NO)C(C)C PXE 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime +Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F PXF 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O PXG 3-[o-phosphonopyridoxyl]--amino-benzoic acid +CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C PXH (2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid +CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C PXI 4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione +c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O PXJ n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide) +CC(C)(C)C#CCc1c[nH]c2c1scn2 PXK 6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole +Cc1c(c(c(cn1)CO)C=O)O PXL 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde +Cc1c(c(c(cn1)CO)CN)O PXM 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol +C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O PXN (2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol +CC\C=N/O PXO (1z)-propanal oxime +Cc1c(c(c(cn1)COP(=O)(O)O)CO)O PXP pyridoxine-5'-phosphate +CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C PXQ 3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC PXS (2s)-propane-1,2-diyl dihexadecanoate +C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C PXT pectenotoxin-2 +C1C[C@](NC1)(C(=O)O)O PXU 2-hydroxy-l-proline +CC(=O)Nc1cc2cccnc2c3c1cccn3 PXX n-1,10-phenanthrolin-5-ylacetamide +Cc1ccc(cc1)C PXY para-xylene +Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O PXZ 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one +C[C@@H]([C@@](N)(O)[O-])O PY0 (1s,2s)-1-amino-1,2-dihydroxypropan-1-olate +c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4 PY1 4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline +c1cc(cnc1)CS PY2 3-(mercaptomethylene)pyridine +CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C PY3 5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide +CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY4 2-[o-phosphonopyridoxyl]-amino- butyric acid +CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY5 2-[o-phosphonopyridoxyl]-amino-pentanoic acid +CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O PY6 2-[o-phosphonopyridoxyl]-amino-hexanoic acid +c1cnccc1CO PY7 pyridin-4-ylmethanol +c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br PY8 6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide +Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O PY9 4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol +c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N PYA 3-(1,10-phenanthrol-2-yl)-l-alanine +Cn1cc(cc1C(=O)O)N PYB 4-amino-(1-methylpyrrole)-2-carboxylic acid +c1cc([nH]c1)C(=O)[O-] PYC pyrrole-2-carboxylate +Cc1cnc(nc1N)C PYD 2,5-dimethyl-pyrimidin-4-ylamine +C1CCOCC1 PYE tetrahydropyran +c1cc(cnc1)CO PYF 3-pyridinylcarbinol +c1cc(c(c(c1)O)O)O PYG benzene-1,2,3-triol +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYH n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine +Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O PYI 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium +CCc1ccccc1 PYJ phenylethane +C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N PYL pyrrolysine +CC(=O)C(=O)N PYM pyruvamide +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5 PYN 3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYO 1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate +c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O PYP 2'-deoxyribofuranosylpyrene-5'-monophosphate +c1cc2c3c(c1)CCN3C(=O)CC2 PYQ pyroquilon +CC(=O)C(=O)O PYR pyruvic acid +c1ccnc(c1)S PYS 2-pyridinethiol +C=C(C(=O)N)N PYT 2-aminoprop-2-enamide +c1ccn(c1)C(=O)c2c(cc(cc2O)O)O PYU 2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol +c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 PYV 4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide +CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C PYW pyridomycin +Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O PYX s-[s-thiopyridoxaminyl]cysteine +c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O PYY d-ribofuranosyl-benzene-5'-monophosphate +c1c(cn[nH]1)I PYZ 4-iodopyrazole +COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4 PZ1 (6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one +Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N PZ2 3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile +Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7 PZ3 4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate +CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F PZ4 5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine +C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N PZ5 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine +Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O PZ8 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid +c1cnc(cn1)C(=O)N PZA pyrazine-2-carboxamide +c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O PZB 4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol +CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO PZC (2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide +COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4 PZD (11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one +C1CNCCN1 PZE piperazine +COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F PZF (3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine +Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O PZG [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid +c1cc(ccc1CN)Br PZH 1-(4-bromophenyl)methanamine +C1CC(=O)N(C1)CC(=O)N PZI 2-(2-oxopyrrolidin-1-yl)acetamide +c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl PZJ (3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N PZK 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br PZL 3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile +COc1ccc(cc1)CN PZM 1-(4-methoxyphenyl)methanamine +CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C PZN 3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion +c1c[nH]nc1 PZO pyrazole +[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O PZP [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4 PZQ praziquantel +c1cncc2c1[nH]nc2 PZR 1h-pyrazolo[4,3-c]pyridine +CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C PZS (5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione +C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O PZU alpha-d-paratopyranose +CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F PZV 1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide +Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C PZW (1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one +Cc1cc(n[nH]1)C(=O)OCc2cccnc2 PZX pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate +CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4 PZY 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CN(C)Cc1c[nH]c2c1cccc2CCCO PZZ 3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol +c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N Q00 n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine +CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4 Q01 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid +c1ccc(cc1)[C@H](N)P(=O)(O)O Q02 [(r)-amino(phenyl)methyl]phosphonic acid +C1CCC(CC1)[C@H](N)P(=O)(O)O Q03 [(r)-amino(cyclohexyl)methyl]phosphonic acid +C1CCC(CC1)C[C@H](N)P(=O)(O)O Q04 [(1r)-1-amino-2-cyclohexylethyl]phosphonic acid +Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F Q05 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine +C1CCC(C1)CC[C@H](N)P(=O)(O)O Q06 [(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid +CCC[C@H](C)[C@H](N)P(=O)(O)O Q07 [(1r,2s)-1-amino-2-methylpentyl]phosphonic acid +CCCC(CCC)[C@H](N)P(=O)(O)O Q08 [(1r)-1-amino-2-propylpentyl]phosphonic acid +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F Q0A 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid +CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl Q0B 2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3 Q0D 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid +c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N Q0E 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4 Q0G 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid +c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F Q0H 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4 Q0J 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine +Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N Q0K 2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N Q0M 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide +c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N Q0N 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O Q0P (2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid +C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N Q0Q 4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile +CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br Q0S 5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide +CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N Q0T ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate +CCn1cc(cn1)c2c(c(ncn2)N)C#N Q0W 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br Q0Y 5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide +c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl Q0Z 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN Q10 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine +COc1ccccc1c2ccc3c(c2)nc(nc3N)N Q11 7-(2-methoxyphenyl)quinazoline-2,4-diamine +Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N Q12 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine +Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N Q13 6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C Q14 6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3 Q15 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C Q16 6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine +c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN Q17 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol +c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O Q18 (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one +Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N Q19 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N Q1A 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea +c1cc2c(cc1OC(F)(F)F)CC(=O)N2 Q1B 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one +B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O Q1D {4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid +CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1E ~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide +c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O Q1G 5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide +c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F Q1H 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine +COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br Q1J 5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide +CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 Q1K 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine +COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br Q1M 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid +[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C Q1N (2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide +c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O Q1P 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid +c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N Q1Q (6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine +CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-] Q1S n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N Q1T 3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile +c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N Q1V 2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium +CC(C)(CC(=O)C(=O)O)C(=O)O Q1W 2,2-dimethyl-4-oxidanylidene-pentanedioic acid +c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6 Q1Y 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide +C[C@H](CC(=O)O)C(=O)C(=O)O Q1Z (3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid +CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O Q20 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5 Q21 (2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide +c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N Q22 (4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol +c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2 Q23 (3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate +c1ccc2c(c1)c(nc(n2)N)N Q24 quinazoline-2,4-diamine +CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q25 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C Q26 n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide +CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N Q27 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine +Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 Q28 4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2A 3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6 Q2D 3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride +CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N Q2E (2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal +CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C Q2H ~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide +c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5 Q2J 3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid +c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2M 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F Q2N 2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O Q2P 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +COC(=O)c1ccccc1c2cccc(c2)C(=O)O Q2R 3-(2-methoxycarbonylphenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3 Q2S 3-(1~{h}-indol-5-yl)benzoic acid +CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5 Q2T 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline +c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6 Q2V 5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine +CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3 Q2Y 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N Q2Z carborane ethyl-sulfonamide +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3 Q31 5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl Q34 5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine +CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC Q35 2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N Q38 carborane nido-pentyl-sulfonamide +Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3 Q39 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide +Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F Q3A 8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N Q3B 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea +c1ccc2c(c1)cc(cn2)C(=O)O Q3C quinoline-3-carboxylic acid +CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6 Q3D 8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N Q3E carborane propyl-sulfonamide +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC Q3G o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine +B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N Q3H carborane nido-hexyl-sulfonamide +[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F Q3J 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N Q3K carborane closo-hexyl-sulfonamide +CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC Q3M methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N Q3N carborane closo-pentyl-sulfonamide +C(CCNC(=O)CN)C[C@@H](C(=O)O)N Q3P n~6~-glycyl-l-lysine +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N Q3Q carborane closo-butyl-sulfonamide +C[C@@H]([C@H](C(=O)O)N)N Q3S (2r,3s)-2,3-diaminobutanoic acid +B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N Q3T carborane methyl-sulfonamide +B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N Q3W carborane nido-butyl-sulfonamide +c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5 Q3Y (3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid +Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F Q41 7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one +C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O Q42 (2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid +CC(=O)NC1=NC(=O)c2c([nH]cn2)N1 Q44 n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide +S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25 Q46 fe4 h s5 +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O Q47 3-bromo dicyclotyrosine +C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC Q4A n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine +B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N Q4B carborane nido-pentyl-sulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F Q4D (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl Q4E 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one +c1cc(cc(c1)C(=O)O)c2cccc(c2)F Q4G 3-(3-fluorophenyl)benzoic acid +c1c(c(ncn1)N)C#N Q4H 4-azanylpyrimidine-5-carbonitrile +CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C Q4J pralsetinib +CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F Q4K ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate +COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl Q4M [(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone +c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl Q4P [(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C Q4Q n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC Q4S (4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide +c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4 Q4T 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid +CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O Q4V (4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid +CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl Q4W 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O Q4Y (4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid +CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O Q4Z [(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N Q50 {(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester +C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O Q51 (4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione +COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl Q52 ~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine +c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q54 (3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid +C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO Q55 4s/3694 +c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5 Q57 (2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid +C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO Q58 desf-3r/4076 +Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F Q5A n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O Q5B (3s)-citryl-coenzyme a +c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N Q5D 4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide +C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione +Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl Q5F n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide +c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O Q5G 3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid +Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN Q5J 4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide +c1ccc2c(c1)cccc2C(=O)CCC(=O)O Q5M 4-(naphthalen-1-yl)-4-oxobutanoic acid +CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O Q5N bcv-l6 +Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O Q5Q 3,6-dibromo-1-(hydroxymethyl)carbazole +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C Q5S 2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose +CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2 Q5T (4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide +COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC Q5V n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine +C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC Q5W methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate +COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC Q5Y n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4 Q5Z 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N Q61 guanosine-5'-monophosphate-2',3'-vanadate +C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O Q62 ~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide +CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q64 (2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide +B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F Q65 (1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol +C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl Q67 n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide +CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O Q68 ~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide +CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6A (2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide +C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C Q6B [(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate +CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N Q6D (2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide +CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C Q6E (1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl Q6F n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide +CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O Q6G selpercatinib +c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3 Q6H 5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 Q6J 5alpha-dihydronandrolone +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C Q6K ~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide +CC(CCCCCNCCCN)(O)O Q6M 7-[(3-aminopropyl)amino]heptane-2,2-diol +CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C Q6N 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +COCC(CCCCCNCCCN)(O)O Q6P 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol +COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC Q6Q 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid +[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C Q6S n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide +c1cc(c2c(c1)OCO2)C(=O)O Q6T 1,3-benzodioxole-4-carboxylic acid +c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6 Q6W 3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide +Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C Q6Y ~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide +C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z (1r,2r,3s)-3-methylcyclohexane-1,2-diol +c1cc2c(cc1F)S(=O)(=O)NC(=O)N2 Q71 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N Q72 (s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide +c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F Q74 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid +c1c(scn1)C[C@@H](C=O)N Q75 2-amino-3-(thiazol-5-yl)propanoic acid +Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C Q77 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +c1cscc1C[C@@H](C(=O)O)N Q78 l-3-thienylalanine +c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O Q7A 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione +Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O Q7B (1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1 Q7G 2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside +CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C Q7H 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O Q7J 1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q7K 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N Q7M 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide +COc1cccc(c1)CNC(=O)c2ccccc2[SeH] Q7N ~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO Q7P 6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC Q7Q 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO Q7S 6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q7T ~{n}-(phenylmethyl)-2-selanyl-benzamide +Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl Q7U 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea +[B+](CCCCCNCCCN)(O)(O)O Q7V 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH] Q7W ~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide +C(CCC(=O)CS)CCNCCCN Q7Y 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one +CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C Q7Z 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl Q80 2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O Q81 1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O Q82 {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide} +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O Q84 1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol +COc1ccc(cc1)CNC(=O)c2ccccc2[SeH] Q85 ~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide +c1ccc(cc1)CCC(=O)Cn2cncn2 Q86 4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one +CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O Q87 1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol +c1nc(c2c(n1)[nH]c(n2)N)N Q88 9h-purine-6,8-diamine +c1cc2cccnc2c(c1)N Q8A quinolin-8-amine +CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C Q8B n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide +c1cc2c(cc1C(=O)O)nnn2C3CCCCC3 Q8D 1-cyclohexyl-1h-benzotriazole-5-carboxylic acid +COc1ccc(cn1)CNC(=O)c2ccccc2[SeH] Q8E ~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide +c1cc2c(cc1C(=O)O)ncn2C3CCCCC3 Q8G 1-cyclohexyl-1h-benzimidazole-5-carboxylic acid +c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH] Q8H ~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide +CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5 Q8J 4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide +c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5 Q8K 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br Q8M 5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8P 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide +CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1 Q8Q 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one +Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br Q8S 5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide +CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C Q8T 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one +CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N Q8V ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate +c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5 Q8W 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene +c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3 Q92 3-quinolin-6-ylbenzoic acid +CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C Q94 n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O Q97 4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol +c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3 Q98 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C Q9A n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3 Q9B 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one +CC(=O)NCCCCNCCCN Q9C n-{4-[(3-aminopropyl)amino]butyl}acetamide +CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2 Q9D benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate +CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C Q9E (5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide +Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F Q9G 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine +c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N Q9H (2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol +c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2 Q9J (5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N Q9K (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 Q9M 2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N Q9N ~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide +c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl Q9P azolopyrimidine +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O Q9Q 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside +C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N Q9S 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine +c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br Q9T 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol +CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C Q9V n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide +CC(C)CCn1c(c(nn1)O)C(=O)NC Q9Y ~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide +CC(C)CCN1CC(=O)N=N1 Q9Z 3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C QA1 danazol +C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5 QA4 2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QA7 5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine +CC[C@H](CC(=O)O)C(=O)C(=O)O QA8 (3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid +c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5 QAA 2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide +C1CCc2c(c(c(s2)N)C(=O)O)C1 QAB 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +c1cc(ccc1CO)C(=O)NCCC(=O)O QAC n-[4-(hydroxymethyl)benzoyl]-beta-alanine +COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O QAD 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl QAE 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one +CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] QAF {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) +Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N QAG 4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile +[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O QAH [(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate +c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5 QAJ 2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide +C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O QAK (6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol +c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N QAM n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide +CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5 QAN (3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide +c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O QAP 2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate +c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O QAQ [(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile +Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N QAR 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine +c1cc(nc(c1C(=O)O)C(=O)O)S QAS 6-mercaptopyridine-2,3-dicarboxylic acid +C1C(=S)C=NC(=C1C(=O)O)C(=O)O QAT 5-mercaptopyridine-2,3-dicarboxylic acid +COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QAV 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) +c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN QAY 8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4 QAZ (3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide +COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O QB1 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F QB4 (10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile +CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 QB5 n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide +COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O QB7 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 QB8 ~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide +COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O QBA 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) +c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F QBB 4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide +COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O QBD 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid +CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4 QBE ~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide +COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O QBG 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid +CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C QBH (4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one +COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O QBJ 4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid +C12=NC(=O)SC1=NC(=NC2=O)N QBK 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione +CCCSc1nc(c(nn1)C)O QBM 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol +CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 QBN 2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine +c1cc(ccc1c2[nH]nnn2)C(F)(F)F QBP 5-[4-(trifluoromethyl)phenyl]-1h-tetrazole +c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O QBQ 7-deaza-gtp +CC(=O)[C@@H](C#N)c1ccc(cc1)Cl QBS (2r)-2-(4-chlorophenyl)-3-oxobutanenitrile +C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O QBT [(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate +c1cc(c(cc1/C=C/C(=O)O)Br)O QBV (2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid +c1ccc(cc1)CNCCc2ccc(c(c2)O)O QBW 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol +CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4 QBY 6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl) +C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O QBZ (2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid +Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5 QC0 n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide +c1cc(ccc1CNc2cnccc2C(=O)O)F QC1 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid +c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O QC2 2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid +C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O QC4 {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid +CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F QC5 2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine +C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C QC7 (5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one +CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5 QC8 (2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O QCA {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O QCB (2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid +C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O QCD {(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid +CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O QCE n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine +Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C QCG (2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid +CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O QCH (2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O QCK (4-methyltriazole)-thymidine-5'-monophosphate +CCC(CC)COc1cc(nc2c1cccc2N)C=O QCL 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde +CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO QCM givinostat +CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N QCN (2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal +CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO QCP ar-42 +c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F QCQ [[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +C([C@@H](C(=O)O)N)SC(=O)N QCS s-carbamoyl-l-cysteine +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside +C=Nc1ccc(cc1)N(=O)=O QCV n-(4-nitrophenyl)methanimine +CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2 QCW ~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide +C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O QCY 2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) +CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3 QCZ ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O QD0 (2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide +CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C QD2 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide +CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4 QD5 ~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide +CP(=O)(CCCN)O QD7 (r)-(3-aminopropyl)methylphosphinic acid +CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 QDA n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine +c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O QDD 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid +CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C QDE ~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide +CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl QDG 4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one +C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl QDH [[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5 QDJ tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +C([C@@H]([C@@H](C(=O)CO)O)O)O QDK l-ribulose +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O QDM tdp-3,6-dideoxy-3-n,n-dimethylglucose +COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QDN quinidine +c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-] QDO 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5 QDP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O QDQ ~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide +Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N QDR 2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O QDS n-(quinoxalin-2-ylcarbonyl)-d-serine +CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC QDT 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDV tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 QDW methoxymethyloxathiatetraazatetracyclodocosahexaenedione +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QDY tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C QDZ ~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine +c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3 QE2 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QE4 tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F QE5 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid +C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO QE8 (1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4 QEA tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +O12[Re]3O4[Re]1O5[Re]2O3[Re]45 QEB [re4(mu3-oh)4(co)12] +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O QED n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) +CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O QEE ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate +c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N QEG n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O QEH (7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide +c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O QEI 2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C1C[C@H](NC1)C#N QEJ (2s)-pyrrolidine-2-carbonitrile +Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3 QEK 2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid +C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 QEL 4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol +C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O QEM 4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol +c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br QEN 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4 QEP tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4 QEQ 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 QES tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F QET [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone +Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C QEV methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl QEY methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate +c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2 QEZ 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid +CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br QF1 5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide +COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4 QF2 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione +c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N QF4 benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5 QF8 ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC QFB 7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O QFD (3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione +Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N QFE (3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine +[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O QFG {(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +C[C@@H]([C@@](C)(C(=O)O)O)O QFH (2s,3s)-2,3-dihydroxy-2-methylbutanoic acid +CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC QFI ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid +CCC(=O)SCC[N+](C)(C)C QFJ propionylthiocholine +Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC QFK 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide +c1ccc(c(c1)CSC2=NCCN2)Cl QFM 2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole +Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C QFN (4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one +B(c1ccccc1)(O)OCCO QFP 2-hydroxyethyl hydrogen phenylboronate +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5 QFQ ~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide +B(c1cccc(c1)OC)(O)OCCO QFS 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate +c1cc(c(cc1N(=O)=O)O)F QFT 2-fluoranyl-5-nitro-phenol +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl QFV 2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide +CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O QFW 2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QFY {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) +c1(c(c(c(c(c1F)F)F)F)F)O QFZ 2,3,4,5,6-pentakis(fluoranyl)phenol +c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 QG1 {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+) +CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O QG2 (2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 QG4 {n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+) +c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4 QG7 n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC QG8 methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC QG9 methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate +C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O QGA 1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol +C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N QGB 5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine +CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC QGD o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine +CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C QGE [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F QGF n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N QGG 1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline +C[C@@H]1c2c(c3ccccc3[nH]2)CCN1 QGH (1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O QGJ 1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide +C[C@H]1c2c(c3ccccc3[nH]2)CCN1 QGK (1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole +c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O QGM (2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid +Cc1c(nnc2c1c(n[nH]2)N)C QGN 4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine +c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N QGP (2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid +Cc1cc(ncn1)SCc2c(noc2C)C QGQ 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole +CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N QGS 1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid +Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O QGV (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone +CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C QGW [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QGZ 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid +CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F QH1 n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide +c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O QH2 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl QH3 3,4-dichlorobenzyl carbamimidothioate +CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6 QH4 {(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile +c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5 QH5 ~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide +CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QH8 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC QHA (3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +COc1cccc2c1[nH]nn2 QHB 7-methoxy-1~{h}-benzotriazole +CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl QHC n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O QHD (2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid +CCc1nnc2n1c(cs2)c3ccccc3 QHE 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole +Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O QHF n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide +CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O QHG (e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid +CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 QHH 1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O QHJ (r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHK 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid +c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N QHL delta-[ru(tap2-dppz-cn]2+ +CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO QHM hycanthone +c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3 QHN 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O QHP (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QHQ 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O QHS (r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHT 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O QHV (r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C QHW 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid +CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O QHY 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid +COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5 QHZ 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid +c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl QI1 4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide +Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO QI2 (2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide +c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl QI3 (4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide +COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O QI9 quinine +C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O QIC (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid +c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O QID 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione +C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O QIF 1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose +Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5 QIG n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine +CC[C@H](C)[C@@H](C(=O)O)NC=O QIL n-formyl-l-isoleucine +CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N QIN n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide +CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O QIU 3-[3-(2-acetamidoethyl)phenyl]benzoic acid +CC(=O)Nc1nc2cc(ccc2s1)O QIV n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide +[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO QIX n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide +COC(=O)N1CC[C@H](SCC1)c2cccs2 QJ1 methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C QJ2 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C QJ4 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine) +CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4 QJ5 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid +Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F QJ7 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C QJ8 6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine +CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5 QJ9 1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one +CC(=O)N1CC[C@H](SC=C1)c2cccs2 QJA 1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one +C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O QJB 2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide +C(CO)COCCOCCOCCOCCOCCOCCN QJE 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol +c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N QJJ n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJM n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide +CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO QJN (1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N QJP (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F QJS 5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid +CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O QJT 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one +CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N QJV (1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide +c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O QJW (2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid +CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QJY (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC QJZ n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide +CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F QK0 n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C QK1 (3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate +Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4 QK2 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one +Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5 QK5 (3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile +C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QK7 (4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C QK8 ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate +C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 QKA (1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide +CCOC(=O)N1CC[C@H](SCC1)c2cccs2 QKD ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate +c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N QKE (2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide +Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC QKG 4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide +COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O QKH methyl-cyclo-hepta-amylose +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O QKJ 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid +[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F QKK 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid +C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O QKM 4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile +Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3 QKP 2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one +COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4 QKQ ~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide +c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3 QKT diperodon (s-enantiomer) +c1cc(cc(c1)c2cccc(c2)C(=O)O)CO QKU 3-[3-(hydroxymethyl)phenyl]benzoic acid +c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO QKV (6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol +c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl QKW (4-chlorophenyl)methyl pyridine-3-carboxylate +CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3 QKY (5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one +c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl QKZ 2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide +CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4 QL1 (5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N QL2 6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O QL4 (4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid +Cc1ccc(c(c1)OC(=O)c2ccncc2)C QL5 (2,5-dimethylphenyl) pyridine-4-carboxylate +CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O QL7 n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O QL8 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F QLA 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione +CCCCCCCCOCCOCCOCCO QLB 2-[2-(2-octoxyethoxy)ethoxy]ethanol +CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLD ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C QLE [(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate +[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O QLG [(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F QLH 5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile +C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O QLI (5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid +CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLJ ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate +COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl QLM methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate +C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O QLN 3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O QLP n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine +Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7 QLQ ~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide +CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC QLR 6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine +COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F QLS methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate +CC[Sn](CC)(CC)Br QLT triethyltin bromide +COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F QLV n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3 QLW n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine +CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC QLZ 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine +c1cc(c(nc1)C(=O)O)CC(=O)O QM1 3-(carboxymethyl)pyridine-2-carboxylic acid +c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4 QM2 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid +c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O QM4 (2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid +COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O QM5 (2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid +C(CCS)C[C@@H](C(=O)O)N QM8 6-sulfanyl-l-norleucine +COc1ccc2c(c1)ccc(c2C=O)O QMA 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde +C(C[C@@H](C(=O)O)N)CS QMB 5-mercapto-norvaline +C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O QMD 2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid +c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3 QME 2-[(2~{r})-piperidin-2-yl]-1~{h}-indole +Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 QMG 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide +CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O QMH (2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl QMI 4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O QMK ~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide +CN(C)C(=O)CC[C@@H](C(=O)O)N QMM n,n-dimethyl-l-glutamine +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5 QMN ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +CP(=O)(O)OC1CCCCC1 QMP cyclohexyl methylphosphonate +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N QMQ 1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium +c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4 QMR varenicline +CS(=O)(=O)Nc1cccc2c1nccc2 QMS n-(quinolin-8-yl)methanesulfonamide +c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O QMT 2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol +c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F QMV 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile +c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O QMW 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol +Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3 QMY 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine +COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4 QMZ [(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone +c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F QN1 4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide +c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5 QN2 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide] +c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl QN3 n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide) +Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl QN4 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide +Cc1c(c2ccccc2[nH]1)CC(=O)O QN5 2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid +COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5 QN7 (8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +C[C@@H]1C(=O)C2CCN1CC2 QN8 (2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O QNA (1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O QNB (3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate +c1ccc2c(c1)ccc(n2)C(=O)O QNC quinoline-2-carboxylic acid +c1ccc2c(c1)ccc(n2)C(=O)O QND quinaldic acid +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF QNE ~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine +CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C QNG n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide +CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5 QNH 6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine +c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4 QNI 6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine +C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C QNJ (3beta,5beta,14beta,17alpha)-cholestan-3-ol +C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF QNK 6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine +CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O QNL ~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide +CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O QNM 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid +C[C@H]1C(=O)C2CCN1CC2 QNN (2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one +CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O QNO 2-nonyl-4-hydroxyquinoline n-oxide +CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O QNP (2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate +Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O QNQ 4-methylcatechol cysteine +COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4 QNS n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide +Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N QNT 3,6-dimethylcatechol cysteine +Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N QNW 3-methylcatechol cysteine +C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O QNY o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine +c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O QNZ (e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid +CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O QO1 4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid +Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O QO2 4,5-dimethylcatechol cysteine +C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F QO4 5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one +Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C QO5 3,5-dimethylcatechol cysteine +Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO QO7 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide +Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N QO8 3,4-dimethylcatechol cysteine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C QO9 1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O QOA n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O QOB ~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O QOD (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O QOE (2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide +CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N QOG 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide +C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O QOH 11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide +c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N QOJ 4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C QOK 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione +c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO QOL 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5 QOM trametinib +C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl QOP 6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide +Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F QOQ 5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine +CC1=CNC(=O)C(=N1)C QOS 3,5-dimethylpyrazin-2(1h)-one +Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl QOV 5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl QOY 5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide +c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N QOZ 2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC QP1 n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide +C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O QP2 (4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid +COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5 QP4 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine +c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F QP7 3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol +CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O QP8 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate +C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N QPA s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine +C/C(=C/c1ccc(cc1)O)/C(=O)OC QPB methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate +CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N QPC 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide +c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3 QPD (2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide +C/C(=C/c1ccccc1)/C(=O)OC QPE methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate +c1ccc(cc1)C[C@@H](C(=O)O)NC=O QPH n-formyl-l-phenylalanine +C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O QPJ 2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol +c1cc(c(c(c1F)O)F)Cl QPK 3-chloranyl-2,6-bis(fluoranyl)phenol +CC1(CC(CC(N1[O-])(C)C)N)C QPM 4-amino-2,2,6,6-tetramethylpiperidin-1-ol +CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1 QPN 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one +Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4 QPP n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine +CC(=O)c1cn(c2c1cccc2)C QPR 1-(1-methylindol-3-yl)ethanone +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO QPS beta-acarbose +C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+] QPT carboplatin +CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O QPU 1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol +CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl QPV 3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide +CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QPW 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N QPY benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate +CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C QPZ 1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide +c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N QQ1 2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine +Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl QQ2 [(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile +CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C QQ3 (3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O QQ4 hexa vinylpyrrolidone k15 +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl QQ5 [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O QQ7 cucurbit[7]uril +C(CC(=O)N)[C@@H](CNC=O)N QQ8 (4~{s})-4-azanyl-5-formamido-pentanamide +CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-] QQA 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one +c1ccc2c(c1)cccc2C[C@@H](CNC=O)N QQB ~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide +CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C QQD 4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQE [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4 QQG n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide +Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O QQH [(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC QQJ n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO QQK [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC QQM n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide +C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl QQN [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone +c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F QQP n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +CC(C)n1c2ccccc2nc1S(=O)(=O)O QQQ 1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid +C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl QQT [2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3 QQV (1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide +C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl QQW [2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N QQX [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N QQY [(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol +B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O QQZ phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid +[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O QR1 {3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) +c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl QR2 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one +[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O QR4 {3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) +C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C QR8 (3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione +[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O QRA 3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO QRB 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide +c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O QRE 2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid +CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O QRG n-acetyl-l-alpha-aspartyl-l-methionine +c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5 QRH (2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide +[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O QRJ {3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) +CCCCCC(=O)SC QRL s-methyl hexanethioate +C1CC(=CC(=C1)N)C(=O)O QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid +COc1ccc(cc1O)CCc2nc3ccccc3s2 QRN 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol +c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F QRO 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 QRP (3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione +COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2 QRQ 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N QRT [(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO QRV 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium +Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F QRW 3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide +CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F QRX n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide +c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N QRY 4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N QRZ [(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N QS1 (2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C QS2 9-cis-okenone +Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C QS4 1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one +Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC QS5 n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide +CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl QS7 n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide +C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F QS8 [[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate +CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QSA ~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide +c1cc(c(cc1C(=O)O)Br)O QSB 3 bromo 4 hydroxybenzoic acid +C[C@H](c1ccccc1)N QSC (1r)-1-phenylethanamine +Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N QSD (2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide +Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C QSE all-trans okenone +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O QSG (2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name) +c1c(cc(c(c1Br)O)Br)C(=O)O QSH 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N QSI 5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine +Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O QSJ (3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F QSK [(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid +CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4 QSM 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole +CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3 QSN n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide +COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O QSO 5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one +Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O QSP (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N QSQ [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O QSR (9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate +CN1CCN(CC1)c2ccccc2N QSS 2-(4-methylpiperazin-1-yl)aniline +CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS QST (2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC QSV (2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide) +c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3 QSW (4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4 QSY n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium +c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3 QSZ (4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide +CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS QT2 (2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F QT4 ~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide +Cc1nccn1c2cccc(c2)CN QT5 [3-(2-methylimidazol-1-yl)phenyl]methanamine +CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl QT7 2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide +CCC(=O)CC(=O)O QT8 3-oxidanylidenepentanoic acid +c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N QTA 3-(phenylsulfonyl)benzene-1-sulfonamide +C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C QTB (3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N QTD 4-phenoxybenzene-1-sulfonamide +CC1CCCCC1 QTE methylcyclohexane +CCCNS(=O)(=O)c1ccc(cc1C)F QTG 4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide +c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4 QTH 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine +c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N QTJ 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3 QTK 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium +c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F QTM 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide +Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O QTP 3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine +C1[C@@H]([C@H](CS1(=O)=O)O)O QTQ (3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol +O QTR oxygen of quinone +c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N QTS 1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine +Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O QTT 2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid +c1cc(sc1)CCC(=O)O QTU 3-(thiophen-2-yl)propanoic acid +Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-] QTV 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N QTW [(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O QTY n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide +CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O QTZ mycinamicin ii +CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC QU2 mycinamicin i +c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O QU4 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid) +COC1C=CC(C=C1)S QU5 4-methoxycyclohexa-2,5-diene-1-thione +CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 QU7 (1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +COc1ccc(cc1)NC=O QU8 ~{n}-(4-methoxyphenyl)methanamide +C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O QUA 8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid +C=CCO/N=C/c1ccnc2c1cccc2 QUB (e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine +c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5 QUD 2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium +c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O QUE 3,5,7,3',4'-pentahydroxyflavone +c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O QUG 2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O QUH [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate +c1ccc2c(c1)ncc(n2)C(=O)O QUI 2-carboxyquinoxaline +CC(C)COc1cc(nc2c1cccc2N)C(=O)O QUJ 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN QUK 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid +CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4 QUL n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine +C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl QUM quinacrine mustard +CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl QUN quinacrine +c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O QUO 2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate +Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl QUP 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 QUS (s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUV n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N QUW 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUX n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O QUY (2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide +c1ccc2c(c1)cncn2 QUZ quinazoline +c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O QV2 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO QV4 4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose +CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4 QV5 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide +Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C QV6 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid +c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O QV7 3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid +c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O QV8 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid +C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O QVA (2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid +CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl QVB 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide +c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O QVE 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QVK 5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide +CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C QVM (2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal +c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O QVN 3-(3-phenylpropyl)-2-oxoglutarate +C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O QVQ 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid +C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O QVR (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol +c1cc2c(cc(nc2c(c1)N)C(=O)O)O QVS 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid +CC[C@@H](CC(=O)C(=O)O)C(=O)O QVT 4-ethyl-2-oxoglutarate +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4 QVV benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCC[C@@H](CC(=O)O)C(=O)C(=O)O QVW 3-propyl-2-oxoglutarate +c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O QVY 1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol +CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C QVZ 3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate +CCC[C@@H](CC(=O)C(=O)O)C(=O)O QW2 (4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid +CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C QW4 2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium +COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl QW5 5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide +C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5 QW7 1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole +Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC QW9 [2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone +c1ccc2c(c1)c(c[nH]2)Cn3ccnc3 QWB 3-(imidazol-1-ylmethyl)-1~{h}-indole +CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4 QWE amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O QWG (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name) +CCC(=O)Nc1cc(nc(c1Br)C)C QWH ~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide +c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4 QWI 6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O QWJ 6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside +CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3 QWK ~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide +C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F QWM n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine +c1c2c(nc(c1Br)Cl)nn[nH]2 QWN 6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O QWP mithramycin +Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4 QWQ 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine +CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N QWS 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C QWT 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O QWV n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide +c12c(c(c(nc1nn[nH]2)Br)Br)Br QWW 5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine +c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N QWY 3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide +CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C QWZ 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +c1ccc2c(c1)ncc(n2)C(=O)O QX quinoxaline-2-carboxylic acid +CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5 QX1 3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine +c1[nH]c2c(c(c(nc2n1)Br)Br)Br QX2 5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine +Cc1ccc2c(c1)C(=CC(=O)O2)O QX4 4-hydroxy-6-methyl-2h-1-benzopyran-2-one +Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F QX7 n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine +c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br QX8 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one +C1CCS(=O)(=O)C1 QXB sulfolane +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O QXD 5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +C1CS(=O)(=O)C[C@@H]1O QXE 3-hydroxythietane-1,1-dioxide +c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O QXG 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br QXH ~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4 QXK 2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide +[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-] QXM (5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C QXN 2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide +c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N QXP 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine +CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4 QXQ ~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide +CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC QXT 1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione +CSCC[C@H](C(=O)N)N QXV d-methioninamide +c1c2c(nc(c1Br)Br)nn[nH]2 QXW 5,6-dibromo-1h-triazolo[4,5-b]pyridine +CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C QXY {4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone +c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O QY1 (2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid +CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4 QY4 n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide +CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C QY5 ~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide +CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C QY7 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid +c1c[nH]c2c1C(=O)NC(=N2)N QY8 2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one +CC(=O)Oc1ccccc1 QY9 phenyl acetate +c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N QYA 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide +c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O QYB 3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one +c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-] QYD n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide +c1csc2c1c(ncc2Cl)N QYE 7-chlorothieno[3,2-c]pyridin-4-amine +c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O QYG {(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid +COc1ccc(cc1)c2cc(nc(n2)N)N QYH 6-(4-methoxyphenyl)pyrimidine-2,4-diamine +Cn1c2c(c(c1Br)C#N)c(ncn2)N QYK 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C QYM (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol +C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC QYQ ~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F QYS (1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid +c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2 QYT (5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C QYV 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N QYW 4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C QYY 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide +Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O QYZ (3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one +CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F QZ1 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid +Cn1cc(cn1)c2cc([nH]n2)C(=O)O QZ2 3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid +CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C QZ3 n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide +C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F QZ4 4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F QZ7 n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3 QZ8 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one +C[C@@H]([C@H](CCl)O)N QZA (2r,3s)-3-amino-1-chlorobutan-2-ol +CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZD n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5 QZE 4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C QZG n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide +CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O QZH (5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid +CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO QZJ n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O QZK {[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid) +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3 QZM 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide +CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl QZN 3-amino-7-chloro-2-nonylquinazolin-4(3h)-one +CC(C)Cc1ccc(cc1)C(=O)O QZP 4-(2-methylpropyl)benzoic acid +CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O QZQ betulinic acid +c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N QZS ~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide +C1CCS(=O)C1 QZT thiolane 1-oxide +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O QZV 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4 QZW 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine +CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4 QZY 3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid +COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O QZZ 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid +c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O R 2'-deoxy-n6-(r)styrene oxide adenosine monophosphate +c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N R00 n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br R01 (4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone +C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4 R02 {4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone +Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C R03 allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine +Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C R04 (2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine +Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F R05 5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine +C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5 R07 1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione +Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C R09 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine +CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O R0B (2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid +c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl R0D (5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone +CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O R0E prom-17 +c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N R0G 4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile +c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl R0J 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +CC/C=C/C=C/C(=O)O R0M (2e,4e)-hepta-2,4-dienoic acid +C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O R0N roniciclib +CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5 R0P 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one +COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl R0S 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile +COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N R0Y (2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one +COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O R0Z elacridar +C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O R10 5-o-phosphono-d-ribonic acid +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N R11 4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine +Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O R12 (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid +C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C R13 3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid +CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC R14 n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl R15 n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide) +CCCCCCCCCCCCCCCC R16 hexadecane +C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br R17 allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine +C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O R18 (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one +C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C R19 allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin +CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C R1A 3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine +CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C R1B s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1 R1C bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+) +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O R1D 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide +C1[C@@H]([C@H](CC1(F)F)O)O R1E trans-4,4-difluorocyclopentane-1,2-diol +CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C R1F s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC R1H tariquidar +CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C R1N 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O R1P 1-o-phosphono-alpha-d-ribofuranose +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O R1Q vincristine +c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R1S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O R1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C R1V n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid +CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl R1W ~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide +C1[C@@H]([C@@H]([C@H](O1)CO)O)O R1X 1,4-anhydro-d-ribitol +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 R1Z delta-[ru(bpy)2dppz]2+ +Cc1cccc(c1)c2c[nH]nn2 R20 4-(3-methylphenyl)-1h-1,2,3-triazole +c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N R21 2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide +Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C R22 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one +CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl R23 methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-] R24 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N R26 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC R27 n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide +CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate +[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O R29 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O R2A (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid +C1=C([C@@H]([C@H](O1)CO)O)O R2B 1,4-anhydro-d-erythro-pent-1-enitol +COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3 R2C 5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid +c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl R2D [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid +CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R2F 2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C1=CO[C@H]([C@@H]1O)CO R2G 2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O R2H 3-fluoro dicyclotyrosine +CNCc1c2ccccc2n(n1)C R2J n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine +C(C(=O)O[Na])C(=O)O[Na] R2K (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium +Cn1c2ccc(cc2cc1C(=O)O)Br R2N 5-bromo-1-methyl-1h-indole-2-carboxylic acid +C(c1c(nsn1)O)[C@H](C(=O)O)N R2P (2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N R2Q 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile +N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N R2R ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) +c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl R2S n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide +[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O R2T beta,gamma-dihydroxyglutamine +c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O R2V 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine +c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N R2W 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide +CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4 R2Y n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O R2Z n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide +CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 R30 n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N R31 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide +CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N R32 (2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide +[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN R33 n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl R34 5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +CC(C)(C)[C@@H](CC(=O)O)C(=O)O R35 (2r)-2-tert-butylbutanedioic acid +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C R36 4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C R37 3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide +C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O R38 (2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4 R39 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea +[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3 R3A 1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3B (2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC R3E (2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC R3F 2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3G 2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +O[Ti](O)(O)O R3H tetrakis(oxidanyl)titanium +CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3 R3J benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate +CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC R3M 2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate +C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O R3N (2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid +CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl R3P 2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide +c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O R3S resveratrol-3-o-sulfate +C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R3V (5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +C(C(=O)O)Cl R3W chloroacetic acid +c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R3X resveratrol-3-o-glucuronide +Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl R3Y 1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione +c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O R3Z 1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione +[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 R40 n~2~-[(benzyloxy)carbonyl]-l-arginine +c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N R41 [(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O R44 1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione +c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R45 n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine +C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C R46 n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine +c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N R47 n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N R48 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N R49 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24 R4A bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O R4B n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide +C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O R4C n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e +C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O R4D 3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one +CCCCCC1=Cc2c(cccc2N)C(=O)N1 R4E 5-amino-3-pentylisoquinolin-1(2h)-one +c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O R4G resveratrol-4'-o-glucuronide +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C R4H 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one +c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O R4J [(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone +c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O R4K (2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid +CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7 R4L 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2 R4M (2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid +c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl R4N 4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide +Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O R4P 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid +C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F R4Q (3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F R4S n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+] R4T 9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine +C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F R4V (1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCS(=O)(=O)C R4W 1-methylsulfonylethane +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F R4Y (1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +CCc1cc2c(c(c1)C(=O)O)C=CC2=O R4Z 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R51 5-o-phosphono-d-ribose +C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O R52 5-o-phosphono-d-ribose +C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O R54 (5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R55 n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N R56 5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide +COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R57 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O R58 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O R59 (2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5A ruthenium wire, 5 carbon linker +CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R5B ruthenium wire wc5 +c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F R5D (1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide +c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO R5G n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O R5I inosine diphosphate ribose +[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5N ni-substituted keggin silicotungstate +C(C(C(C(C=O)O)O)O)OP(=O)(O)O R5P ribose-5-phosphate +[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] R5Q co-substituted keggin silicotungstate +c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N R5S 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO R5T tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate +CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO R5V n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide +Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C R5W 3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide +c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO R5X 3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide +C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5 R5Y 4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C R5Z 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one +Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F R61 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione +CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C R62 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid +Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C R64 (1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone +CS(=O)(=O)CC(=O)C(=O)O R67 3-(methylsulfonyl)-2-oxopropanoic acid +CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R68 n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide +CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O R69 n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R6A ruthenium wire, 6 carbon linker +CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C R6B (~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid +CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C R6C (2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol +c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6 R6D 6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine +CCCCCC[C@](CC)(C(=O)O)N R6E (2~{r})-2-azanyl-2-ethyl-octanoic acid +CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO R6G rhodamine 6g +CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F R6H ~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide +Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C R6K 2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C R6M n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide +CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C R6N 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6 R6P (3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2 R6Q 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one +Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C R6S n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine +c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O R6T 9-oxo-9h-fluorene-4-carboxamide +c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6 R6V (3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O R6W (3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one +c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4 R6Z 3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide +COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4 R70 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione +C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C R71 [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C R72 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2 R74 n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide +CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br R75 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone +CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O R77 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid +CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C R78 4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide +C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C R79 n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C R7A s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate +c1cn2c(n1)C(=CNC2=O)C3CCCCC3 R7B 8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one +c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O R7D n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O R7G 1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O R7H (4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O R7I inosine diphosphate ribose +c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O R7J [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid +c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O R7K ~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O R7M (2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one +c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N R7N 4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C R7P 2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one +Cc1ccc(cc1)C(=O)C(C)C R7Q 2-methyl-1-(4-methylphenyl)propan-1-one +CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O R7S 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide +c1cc(sc1)Cc2ccc(cc2)C(=O)O R7T 4-[(thiophen-2-yl)methyl]benzoic acid +CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R7U ruthenium wire, 7 carbon linker +C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O R7V (1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid +CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O R7Y (1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside +CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3 R7Z ~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO R81 n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) +C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C R82 n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide +CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3 R83 n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide +COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC R84 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid +Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl R85 5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C R86 2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide +C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3 R88 (4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone +c1cc(c(nc1)N)CO R8A (2-aminopyridin-3-yl)methanol +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O R8B methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside +C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F R8C 2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide +c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl R8D 3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile +c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl R8E 3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile +CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C R8G 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4 R8H (2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide +c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3 R8J 6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F R8N 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide +C[C@@H](c1ccc(cc1)[N+](=O)[O-])O R8P (1s)-1-(4-nitrophenyl)ethan-1-ol +CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F R8Q 2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide +COc1ccnc(n1)NN R8S 2-hydrazinyl-4-methoxypyrimidine +CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O R8T (3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid +CN1[C@H](c2ccccc2C1=O)O R8V (3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one +CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O R8W 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid +CCN(CCC(=O)O)C(=O)c1cccs1 R8Y n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine +CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F R91 1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one +C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl R92 4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide +Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl R93 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide +c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5 R94 n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide +CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C R96 n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide +Cc1csc(n1)Cc2ccccn2 R97 2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine +CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O R99 n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane +CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2 R9A ruthenium wire, 9 carbon linker +c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O R9B n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo +COc1cccc(c1)C(=O)N2CCCC2 R9G (3-methoxyphenyl)(pyrrolidin-1-yl)methanone +Cc1ccc(cc1)NC(C)(C)C(=O)O R9J 2-methyl-n-(4-methylphenyl)-l-alanine +Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O R9K 3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid +c1csc(n1)CCC(=O)O R9M 3-(1,3-thiazol-2-yl)propanoic acid +c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br R9P 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one +CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N R9Q 3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile +Cc1ccccc1CC(=O)N R9S 2-(2-methylphenyl)acetamide +COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC R9T (1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O R9V (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol +C1CCc2c(c(c3c(n2)CCC3)N)C1 R9W 2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine +CN1CCCc2c1ccc(c2)CN R9Y 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine +CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2 RA0 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid +c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N RA1 2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide +CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O RA2 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one +[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-] RA4 n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N RA5 8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide +c1c(sc(n1)N2CCOCC2)CO RA7 [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol +[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2 RA8 n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide +c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N RA9 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAA alpha-rhamnose +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N RAB 2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O RAC 4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid +CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C RAD c49-methyl rapamycin +C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O RAE alpha-l-olivopyranose +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O RAF raffinose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O RAH [(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid +c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO RAI 1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one +Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C RAJ n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide +CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide +c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O RAL raloxifene +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RAM alpha-l-rhamnopyranose +CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O RAN phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O RAO methyl 6-deoxy-alpha-l-rhamnopyranoside +C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC RAP rapamycin immunosuppressant drug +CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N RAR 5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine +C=CCN[C@@H]1CCc2c1cccc2 RAS (1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine +C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O RAT d-arabinaric acid +C#CCN[C@@H]1CCc2c1cccc2 RAU rasagiline +CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC RAV 5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C RAW beta,beta-caroten-4-one +Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RAX dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium +COCCOCC(=O)Nc1cccc(c1)F RAY n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide +CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C RAZ (1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Rb+] RB rubidium ion +C([C@H](C([C@H](CO)O)O)O)O RB0 d-ribitol +CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N RB1 3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol +COC(C1CC(CCC1NC(C(O)O)O)Cl)O RB2 2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol +C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O RB3 (1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate +CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4 RB4 ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate +C([C@H]([C@H]([C@H](C=O)O)O)O)O RB5 d-ribose +C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O RB6 (2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1Br)CNCCS(=O)(=O)C RB7 n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O RB8 6-deoxy-6-sulfo-d-fructose +c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5 RB9 n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide +COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4 RBC 4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate +c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O RBD (r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3 RBE 3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RBF riboflavin +CC(C)(C)NC(=O)[C@H]1CCCCN1 RBG (2r)-n-tert-butylpiperidine-2-carboxamide +CNCc1ccc(cc1)O RBJ 4-[(methylamino)methyl]phenol +C([C@H]([C@H](C(=O)CO)O)O)O RBL d-ribulose +[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl RBN benzeneruthenium(ii) chloride +c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br RBP (3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine +CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F RBQ (8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one +C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3 RBS n-(4-phenylamino-quinazolin-6-yl)-acrylamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RBT rifabutin +c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5 RBU ruthemium bis(2,2'-bipyridine)-2-imidazole +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N RBV 1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide +CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O RBW 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N RBY methylene adp-beta-xylose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RBZ alpha-ribazole-5'-phosphate +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C RC0 5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine +C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O RC1 [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 RC2 n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide +[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O RC4 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea +CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O RC5 [(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid +c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O RC7 2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 RC8 (2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C RCA 6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O RCB 4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside +CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C RCC 3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid +C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O RCD gamma-cyclodextrin +C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O RCE 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione +C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N RCF (2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid +CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5 RCG (1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide +Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C RCH n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide +C[C@H](C(=O)O)Cl RCI (r)-2-chloropropionic acid +CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O RCJ (2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid +c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F RCK ~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine +CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O RCL ricinoleic acid +CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl RCM (5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione +c1cc(c(cc1Cl)c2cn[nH]n2)N RCN 4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline +c1cc(cc(c1)O)O RCO resorcinol +c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6 RCP (3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine +c1cc(c(cc1Cl)c2[nH]ncn2)N RCQ 4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline +c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N RCS triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i) +COC(=O)COc1cccc(c1)CN RCV methyl [3-(aminomethyl)phenoxy]acetate +c1cc(c(cc1Br)c2[nH]cnn2)N RCW 4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline +CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 RCX rofecoxib +CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C RCY (3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione +c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RCZ ru(tap)2(cl-dppz) complex +c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD0 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O RD1 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) +c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O RD2 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid) +c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O RD3 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid) +[H]/N=C(\c1cccc(c1)OCC)/N RD4 3-ethoxybenzene-1-carboximidamide +c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 RD7 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4 RD8 radezolid +COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O RDA methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate +C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1 RDC radicicol +C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O RDD 1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione +COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N RDE 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O RDF n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan +c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 RDG 2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate) +C=C(C(=O)O)Oc1cccc(c1)C(=O)O RDH 3-[(1-carboxyvinyl)oxy]benzoic acid +C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1 RDI radicicol +CCNC(=O)CSc1nnc(o1)C(C)C RDJ n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide +C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O RDL 6,7-dioxo-5h-8-ribitylaminolumazine +CC(=O)N[C@H](CCc1ccccc1)C(=O)O RDM (2r)-2-(acetylamino)-4-phenylbutanoic acid +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O RDP alpha-d-ribose-1-phosphate +c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl RDR 4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one +CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N RDS 6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine +C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC RDT (1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide +C1CCC(C1)CCC(=O)N2CCNCC2 RDV 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one +C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 RDY n-[(benzyloxy)carbonyl]-n-methyl-l-alanine +CC(=CCC/C(=C/COP(=O)(O)O)/C)C RDZ geranyl phosphate +[Re] RE rhenium +c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE0 3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-] RE1 glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate +c1cc(ccc1CCc2cc(cc(c2)O)O)O RE2 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol +c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O RE3 3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1cc(nc(n1)N)NCc2cccnc2 RE4 6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O RE5 l-glutamate tenofovir +C[C@H](c1ccc(cc1)F)NCCn2cccn2 RE7 (1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine +c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O RE8 4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid +C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C RE9 6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C REA retinoic acid +c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4 REB [4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REC cephalosporin +C(CCC(=O)O)C[C@H](CCS)S RED dihydrolipoic acid +C[N+](C)(C)NCCC(=O)O REE 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium +c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione +C1CCC(C1)NC(=O)NC[C@@H]2CCCO2 REG 1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea +C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] REI tricarbonyl (aqua) (imidazole) rhenium(i) +C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O REJ tricarbonyl (l-serine) rhenium(i) +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O REK d-aspartate tenofovir +C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O REL d-glucuronic acid +CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O REM nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide +C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC REN (s)-reticuline +[O-][Re](=O)(=O)=O REO perrhenate +C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O REP (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O REQ (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i) +C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O RER vancosamine +C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O RES 4-phospho-d-erythronohydroxamic acid +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C RET retinal +CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O REV 2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O REW (2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REX glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] REY glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine +C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N REZ (2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid +CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 RF1 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate +c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F RF2 3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole +c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4 RF3 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine +Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C RF4 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O RF5 2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose +CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O RF7 {(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid +C(CCCCCCCC(=O)O)CCCCCCC(=O)O RF8 hexadecanedioic acid +C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N RF9 n~6~-[(1r)-1-carboxyethyl]-l-lysine +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFA delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F RFB lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii) +CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O RFC (r)-ibuprofenoyl-coenzyme a +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O RFE l-methionine tenofovir +CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4 RFG 3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide +Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O RFH (1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O RFJ 2'-o-methyl-5'-o-thiophosphonoguanosine +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O RFL 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide +c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4 RFM n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide +C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C RFN (2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RFP rifampicin +[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O RFQ n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br RFS br-paroxetine +CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O RFT butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate +Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O RFV rifamycin sv +CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O RFW n-acetyl-d-glucosamine-6-phosphate +CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F RFX (3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I RFY i-paroxetine +c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O RFZ 5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole +CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C RG1 rhodopin b-d-glucoside +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl RG2 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4 RG4 (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F RG7 5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide +C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC RGA reidispongiolide a +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC RGC reidispongiolide c +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO RGD cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N RGE (2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O RGG (2r)-2,3-dihydroxypropyl beta-d-galactopyranoside +CNC(=O)O RGI methylcarbamic acid +CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC RGJ 4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide +c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N RGK 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one +C(C[C@@H](C=O)N)CNC(=[NH2+])N RGL arginal +CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C RGM (3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one +C1[C@H]([C@@H](CC1(F)F)O)O RGN (1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol +C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N RGP gamma-glutamyl phosphate +C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N RGS 4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RGT 2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside +CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4 RGV (3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde +Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C RGW ~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide +Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C RGY (4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3 RGZ (r)-rosiglitazone +[Rh+] RH rhodium +c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O RH0 3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid +CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 RH1 2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione +c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N RH2 n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide +[Rh+3] RH3 rhodium(iii) ion +COC(=O)[C@H](Cc1ccco1)c2ccncc2 RH4 methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate +[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N RH5 4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide +COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3 RH7 methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate +CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5 RH8 ~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine +C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC RH9 rhizopodin +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O RHA 6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose +CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O RHB n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium +C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N RHC (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid +[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3] RHD rhodium hexamine ion +Cl[Re](Cl)(Cl)(Cl)(Cl)Cl RHE rhenium (iv) hexachloride +C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F RHG (3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine +Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N RHH 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO RHJ cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone +CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31 RHL [n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium +C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C RHM delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine +c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O RHN 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid +CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C RHO tetramethylrhodamine-5-maleimide +C#CCN[C@@H]1CCc2c1cc(cc2)O RHP (3r)-3-(prop-2-ynylamino)indan-5-ol +CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC RHQ rhodamine 6g +CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C RHS 3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan +Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N RHT 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine +Cn1c(nnc1S)C(F)(F)F RHU 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol +CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C RHV ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate +c1cc2c(cco2)cc1c3cc(nc(c3)N)N RHW 4-(1-benzofuran-5-yl)pyridine-2,6-diamine +c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7 RHX [2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii) +CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RHY 1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one +COc1cc(ccc1Cl)c2ccnc(c2)N RHZ 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine +C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O RI2 1,5-di-o-phosphono-alpha-d-ribofuranose +CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C RI5 (1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F RI8 4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide +CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F RI9 n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N RIA 2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate +C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O RIB alpha-d-ribofuranose +Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RIC phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester +CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4 RID (3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid +CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O RIE (3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid +C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C RIF rifamycin cgp 4832 +CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C RIL [(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +C[C@H](C12CC3CC(C1)CC(C3)C2)N RIM rimantadine +C1CCCCCNC(=O)[C@H](CCCC1)N RIN 3-amino-azacyclotridecan-2-one +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N RIO ribostamycin +C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RIP beta-d-ribopyranose +CC12=C3([Ir]145C2(=C4(C53C)C)C)C RIR [(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii) +c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O RIS 1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O RIT ritonavir +c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl RIV 5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide +[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F RJ1 n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide +c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4 RJ2 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine +c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O RJ4 (4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde +COc1ccc(cc1)c2ccnc(c2)N RJ5 4-(4-methoxyphenyl)pyridin-2-amine +[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC RJ6 n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide +CCOC(=O)[C@H]([C@H](c1cccnc1)O)F RJ7 ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate +c1cc2c(cco2)cc1c3ccnc(c3)N RJ8 4-(1-benzofuran-5-yl)pyridin-2-amine +C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C RJA ratjadone a, bound form +c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3 RJB 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid +C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3 RJD (3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide +CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3 RJE 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one +c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4 RJG (3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one +Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC RJH 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea +c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N RJI 2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide +CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2 RJJ (5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide +c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN RJK 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea +c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3 RJN benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate +c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O RJP (1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid +CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6 RJQ (3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide +c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4 RJR (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 RJW (1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol +CCOC(=O)c1csc(n1)C RJY ethyl 2-methyl-1,3-thiazole-4-carboxylate +Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N RJZ 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2 RK1 (7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N RK2 4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1cc(cc(c1)C(=O)O)CN2CCCCC2 RK4 3-[(piperidin-1-yl)methyl]benzoic acid +Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C RK5 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F RK7 ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate +Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N RK8 4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5 RKA n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide +c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O RKD (2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium +CN[C@]1(CCCCC1=O)c2ccccc2Cl RKE (r)-ketamine +c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61 RKF (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3 RKG methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate +Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N RKH 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine +CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O RKJ (4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N RKK 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36 RKL ru(tap)2(dppz) complex +Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81 RKM (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium +C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 RKN (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium +c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81 RKP lambda-ru(phen)2(dppz) complex +Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N RKQ 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O RKS methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate +c1cc2c(c3c1nccn3)nccn2 RKT pyrazino[2,3-f]quinoxaline +Cn1c(cc(n1)c2ccco2)C(=O)O RKV 3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid +CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3 RKW ~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide +c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2 RKY 4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid +Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N RKZ 4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine +c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br RL1 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone +CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O RL2 n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane +CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br RL3 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone +C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O RL4 (5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol +Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F RL7 n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide +CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C RLA ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate +c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36 RLB lambda-[ru(bpy)2dppz]2+ +CN1C[C@H](CC1=O)c2ccccc2 RLG (4r)-1-methyl-4-phenylpyrrolidin-2-one +CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C RLI 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid +C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O RLJ (2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br RLK 2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide +C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O RLL (2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide +c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O RLM 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol +C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O RLP 3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid +CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3 RLS (4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one +Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F RLT n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide +CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C RLV 4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide +CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C RLW 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one +CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C RLY n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide +C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C RLZ ~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide +c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O RM0 2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol +CN[C@@H]1CCc2c1cccc2 RM1 n-methyl-1(r)-aminoindan +C=C\C=N\[C@@H]1CCc2c1cccc2O RM2 4-hydroxy-n-propargyl-1(r)-aminoindan +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O RM4 beta-l-rhamnopyranose +CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl RM5 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea +C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1 RM7 2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4 RM8 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole +B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O RM9 (1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid +CN(CC#C)[C@@H]1CCc2c1cccc2 RMA n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine +Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O RMB n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole +CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C RMC (2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol +C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O RMD [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium +Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-] RME n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine +C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1 RMG 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine +C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N RMJ 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide +Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C RMK ~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide + RML (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+) +c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N RMM (2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide +c1ccc(cc1)[C@H](C(=O)O)O RMN (r)-mandelic acid +O[As]1O[Mo](=O)S1 RMO [arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum +C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O RMP 2'-deoxy-adenosine-5'-rp-monomethylphosphonate +CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C RMQ (3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid +COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2 RMR 3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide +C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N RMS 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O RMT (3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N RMV 2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O RMW [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O RMY ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside +Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3 RMZ (3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one +c1ccc2c(c1)cccc2OC[C@@H](CO)O RN1 (2r)-3-(naphthalen-1-yloxy)propane-1,2-diol +CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 RN2 calpeptin +Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C RN3 methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate +c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2 RN4 (7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4 RN5 4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C RN6 2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide +C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1 RN7 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide +CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N RN8 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid) +Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O RN9 3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide +Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2 RNA 4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide +Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O RNB 3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N RND n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C RNE (2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine +C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O RNG (6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment +CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O RNH (2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide +C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1 RNJ (7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine +Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl RNK 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one +C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1 RNM (7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C RNN n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide +c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-] RNO (r)-para-nitrostyrene oxide +CC(C)N=C[C@H](COc1cccc2c1cccc2)O RNP (1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F RNR 3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine +C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O RNS l-rhamnose +C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O RNT l-rhamnitol +CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N RNV 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide +c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO RNW 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide +Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6 RNY n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide +CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O RNZ 2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium +COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC RO0 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4 RO1 (3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide +CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O RO2 3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol +Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br RO3 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide +CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO RO4 [[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester +CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br RO5 n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide +c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl RO6 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC RO7 (2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid +c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br RO8 n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide +Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC RO9 1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine +c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O ROA (2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid +C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O ROB 1-deoxy-ribofuranose-5'-phosphate +CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O ROC (2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide +c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ROD 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O ROE 5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F ROF 3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide +CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N ROG 2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine +CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C ROI 7,8-dihydro-7,7-dimethyl-6-hydroxypterin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N ROJ [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS ROK 4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide +COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3 ROL rolipram +CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C ROM c-1027 aromatized chromophore +CCC[C@@H](C(=O)O)N RON norvaline +CCC(=O)N ROP propionamide +C[C@@H](CC(=O)O)C(=O)C(=O)O ROQ (3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid +C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O ROR l-ribose +CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4 ROS n,n'-tetramethyl-rosamine +c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O ROU 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C ROV nevanimibe +CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O ROX roxithromycin +c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl ROY 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N RP2 (2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide +C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O RP3 3-deoxy-5-o-phosphono-beta-d-ribofuranose +c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O RP4 (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid +C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O RP5 5-o-phosphono-beta-d-ribofuranose +CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O RP6 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid +CN1CC=C[C@@H](C1)O RP7 (3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol +c1cc(c2ccc(nc2c1)N)CN RP8 5-(aminomethyl)quinolin-2-amine +CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C RPA rhodopinal glucoside +CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3 RPB rucaparib +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O RPC cytidine 3',5'-bis(dihydrogen phosphate) +C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPD (c8-r)-hydantocidin 5'-phosphate +COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5 RPF 1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one +CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O RPG (13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O RPH 6-hydroxo-octahydro-indole-2-carbaldehyde +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O RPI phospho-arginine +c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O RPJ 1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid +C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O RPL (c8-s)-hydantocidin 5'-phosphate +Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O RPM 5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-] RPN (r)-1-para-nitro-phenyl-2-azido-ethanol +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO RPO (1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside +c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N RPP 2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine +C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O RPQ d-rhamnopyranose tetrazole +C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN RPR 3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester +c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O RPS phtalimide-ruthenium complex +Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O RPT rifapentine +c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4 RPV 5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid +CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C RPX c16-ethoxy-rapamycin,immunosuppressant drug +CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C RQ0 2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione +c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4 RQ1 5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid +c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N RQ2 ganciclovir triphosphate +Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C RQ3 2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid +Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3 RQ4 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid +c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7 RQ7 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O RQA 5'-o-sulfocytidine +COC(=O)[C@H](Cc1ccc(cc1)F)N RQD methyl 4-fluoro-l-phenylalaninate +Cc1ccc2c(c1)c(co2)CC(=O)O RQG (5-methyl-1-benzofuran-3-yl)acetic acid +CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl RQH (1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one +C1CN(C1=O)[C@@H](CCCN)C(=O)O RQJ deoxyproclavaminic acid +C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C RQK (2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide +CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O RQN 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide +COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F RQP (5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione +COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3 RQQ n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide +c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 RQS n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3 RQT ~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide +CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4 RQV n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide +COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5 RQW (1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C RQX 2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione +CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N RQZ 3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide +c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O RR1 5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid +c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12 RR2 (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium +CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O RR5 (2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid +c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O RR6 3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid +C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O RR7 2-deoxy-beta-d-arabino-hexopyranose +CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl RR8 (3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +C#CCN RRA prop-2-yn-1-amine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O RRB [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 RRC r-roscovitine +[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O] RRE fac-tricarbonyl-triaqua rhenium(i) +CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O RRG (2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O RRH (2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O RRJ 4-chloro-4-deoxy-alpha-d-galactopyranose +c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N RRK (1r,2r)-1,2-diphenylethane-1,2-diamine +CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C RRM (2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid +C1(=C(NC(=O)NC1=O)C(=O)O)Br RRO 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl RRP 3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 RRQ 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid +c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl RRR 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one +CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RRS n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide +c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O RRT (r)-retro-thiorphan +CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O RRV (2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide +CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N RRW [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C RRX (3r)-beta,beta-caroten-3-ol +C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl RRY 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose +C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O RRZ 2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid +c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO RS1 4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide +c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO RS2 n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide +Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O RS3 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol +CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O RS4 7-ethyl-10-hydroxycamptothecin +CCCCCCC#Cc1ccccc1\C=C\C(=O)O RS7 (2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N RS8 n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine +C#CCN[C@H]1CCc2c1cccc2 RSA n-propargyl-1(s)-aminoindan +C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC RSB (1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one +C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O RSD respinomycin d +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC RSE [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate +C1CO[C@H]2C1[C@H](CO2)O RSF (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol +C1CO[C@@H]2[C@H]1[C@@H](CO2)O RSG (3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol +C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O RSH 3-deoxy-d-lyxo-hexonic acid +c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N RSK (1s,2r)-1,2-diphenylethane-1,2-diamine +CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC RSM (2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO RSN (3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid +c1ccc(cc1)[C@@H]2CO2 RSO r-styrene oxide +C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RSP 4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O RSQ 5-formylcytidine 5'-(dihydrogen phosphate) +CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O RSS 5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid +C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O RST 3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose +c1cc(nc2c1cc(cc2)c3ccsc3)N RSV 6-(thiophen-3-yl)quinolin-2-amine +Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O RSW [(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+) +C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O RSX (4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O RSY n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3 RSZ n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RT ribosylthymine-5'-monophosphate +c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F RT0 (2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O RT1 (2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid +CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3 RT2 tofogliflozin +Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N RT3 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate +c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl RT7 s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate +CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4 RT8 nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide +C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8 RTA (2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii) +C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98 RTB (2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii) +C(#O)[Re](C#O)C#O RTC rhenium (i) tricarbonyl +c1ccc(cc1)[C@H](C(=O)O)S RTD (2r)-phenyl(sulfanyl)ethanoic acid +Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl RTE 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid +Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C RTF 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O RTG 6-o-phosphono-alpha-l-idopyranose +CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N RTH 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine +C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C RTJ (7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +C[N+](C)(C)CCCP(=O)O RTK trimethyl(3-oxidanylphosphonoylpropyl)azanium +CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C RTL retinol +CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N RTM 3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide +Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4 RTN 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N RTP ribavirin triphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5 RTQ (2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone +c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N RTR 4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 RTT (2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO RTV 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N RTW 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione +CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl RTX 4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine +c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O RTY 4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid +C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC RTZ 10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine +[Ru+3] RU ruthenium ion +CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl RU0 tetrakis(acetato)chloridodiruthenium(ii,iii) +C(#[O+])[Ru+2]C#[O+] RU1 bis(oxidaniumylidynemethyl)ruthenium(2+) +C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+] RU2 pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium +C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O RU3 ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1) +CCNC(=O)Oc1ccc(cc1)c2csnn2 RU4 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate +c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl RU5 2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C RU6 (3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside +CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl RU7 para-cymene ruthenium chloride +c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61 RU8 bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+) +c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O RU9 2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide +CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C RUA (4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine) +C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O RUB ribulose-1,5-diphosphate +[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63 RUC (eta6-benzene)ruthenium +Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl RUD [ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2 +c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO RUE 3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid +CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione +c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO RUG 1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole +C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl RUH (ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl +c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O RUI cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium +CN(CCC(=O)O)[N+](C)(C)C RUJ 3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate +C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51 RUL tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) +c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N RUM 2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4 RUN 2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole +O([Ru])([Ru])[Ru] RUO oxo-centered triruthenium cluster +c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4 RUP (r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide +S[Cu][S+]([Cu])[Cu] RUQ (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper +CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C RUR [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium +C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O RUS 1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one +C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O RUT rutin +C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O RUU alpha-l-ribulofuranose +CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2 RUV 4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide +Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC RUX [4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium +C1CCN(CC1)c2c(non2)N RUY 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine +c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO RUZ [(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate +c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2 RV1 n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide +c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3 RV2 5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid +CC(=O)Nc1ccc(cc1)CN2CCOCC2 RV4 n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide +c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2 RV5 n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N RV7 4-amino-4,6-dideoxy-alpha-d-glucopyranose +C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4 RV8 triglycidyl isocyanurate +c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O RVA 3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVB 3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O RVC 3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O RVD 3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid +C=C(C(=O)O)Oc1cccc(c1O)C(=O)O RVE 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O RVG 6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose +CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4 RVI (2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide +C([C@@H](C(=O)O)N)NNN RVJ 3-triazan-1-yl-l-alanine +CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O RVK adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere +C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC RVM 4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose +c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2 RVN 5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N RVP ribavirin monophosphate +Cc1ccnc(c1)C RVV 2,4-dimethylpyridine +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O RVW (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol +CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N RVX o-[methyl(2-methylpropoxy)phosphoryl]-l-serine +C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3 RVY (5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N RVZ 2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile +c1ccc(cc1)c2ccncn2 RW1 4-phenylpyrimidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O RW2 (1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid +CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N RW3 n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide +CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N RW4 3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C RW7 (3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione +COC(=O)CCC(=O)N1CCc2c1cccc2 RW8 methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3 RWA (5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione +COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO RWB dodecaethylene glycol monomethyl ether +C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3 RWD (4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one +CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O RWF r-warfarin +C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F RWG (5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione +CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N RWH 3-(3-methyl-3-phenethylureido)benzenesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O RWI (2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid +c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3 RWJ cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide +C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3 RWM (5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione +COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F RWP methyl 4-[(trifluoroacetyl)amino]benzoate +Cc1nnc(s1)N2CCCCC2 RWS 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine +Cc1nc(cs1)CN2CCC(CC2)CN RWV 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine +Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl RWX 2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid +c1ccc(cc1)Oc2ccc(cc2)OCCSC#N RWY 2-(4-phenoxyphenoxy)ethyl thiocyanate +CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C RWZ n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine +COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O RX0 [(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone +c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O RX3 n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan +C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N RX4 n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine +CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX5 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate +CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC RX6 methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate +Cc1ccsc1CNC(C)(C)CO RX7 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol +CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N RX8 1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol +c1ccc2c(c1)C(=O)C(=O)NC2=O RXA isoquinoline-1,3,4(2h)-trione +CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXB (1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O RXC (1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate +c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O RXD n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide +c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl RXE ~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide +c1ccn(c1)C(=O)COc2ccc(cc2)F RXG 2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one +C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC RXH naproxen methyl ester +CN1CCN(CC1)c2ccc(cc2)C#N RXJ 4-(4-methylpiperazin-1-yl)benzonitrile +C1CCC(CC1)C(=O)O RXK cyclohexanecarboxylic acid +Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O RXM (2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate +CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl RXN (s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide +c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO 4-arsanyl-2-nitrophenol +c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N RXP 1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid +c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F RXQ n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide +CC1(C(=C(C(N1[O])(C)C)CS)CS)C RXR [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical +Cc1nccn1Cc2cccc(c2)C#N RXS 3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile +c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 RXT (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile +COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5 RXV 6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile +B(c1cc2c(cc1C)cn[nH]2)(O)O RXW (5-methyl-1h-indazol-6-yl)boronic acid +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN RXY (7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate +c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F RXZ sphinx31 +C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N RY 5'-3,6-dihydrocytidylic acid +B(c1cccc(c1)c2n[nH]nn2)(O)O RY2 (3-(1h-tetrazol-5-yl)phenyl)boronic acid +CS(=O)(=O)Nc1ccc(cc1)CN RY4 n-[4-(aminomethyl)phenyl]methanesulfonamide +c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4 RY5 (3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO RY7 4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose +Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N RY8 n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide +C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C RYA (7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one +Cn1c2ccc(cc2nn1)CO RYD (1-methylbenzotriazol-5-yl)methanol +CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O RYE hydrolyzed ceftazidime +c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O RYG ~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide +c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N RYJ 4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide +CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3 RYK (5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide +c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N RYM 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile +CCNc1nc(nc(n1)SC)NC(C)C RYN n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine +CNCc1ccncc1 RYP ~{n}-methyl-1-pyridin-4-yl-methanamine +C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RYS 6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O RYT pentadecaphosphate +C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O RYU (2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one +CCNC(=O)c1ccc(cc1)S(=O)(=O)N RYV n-ethyl-4-sulfamoylbenzamide +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl RYW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N RYX n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide +CCCNC(=O)c1ccc(cc1)S(=O)(=O)N RYY n-propyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N RYZ n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide +CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ0 n-butyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ1 n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide +CC(C)(C)OC[C@@H](C(=O)O)N RZ4 o-tert-butyl-l-serine +CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ5 n-pentyl-4-sulfamoylbenzamide +c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N RZ7 4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide +CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N RZ8 n-hexyl-4-sulfamoylbenzamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O RZA 6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl RZB (3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O RZD (2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate +c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F RZE (3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid +COC(=O)c1ccc(cc1)S(=O)(=O)N RZG methyl 4-sulfamoylbenzoate +CCc1cc(cc2c1[nH]c(c2CCN)C)Br RZH 2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin +CN1CCCc2c1cc(cc2)S(=O)(=O)N RZJ 1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide +COc1ccc(cc1)c2nnn(n2)CCN RZK 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine +C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O RZM (2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside +c1ccc(cc1)Oc2ccc(cc2)CO RZN (4-phenoxyphenyl)methanol +CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZP (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCNc1ccc(cn1)C#N RZS 6-(ethylamino)pyridine-3-carbonitrile +CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O RZV (2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C RZW 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC RZX 2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole +C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O RZY (2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +B1(c2cc(ccc2CO1)C(=O)O)O RZZ 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid +S S sulfur atom +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N S00 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl S01 1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone +C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO S02 phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester +COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O S03 1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol +c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S04 n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide +c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4 S05 3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone +c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3 S06 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2 S07 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O S08 2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +C[C@H](C1CC1)NC(=O)Nc2ccccc2 S0A 1-[(1r)-1-cyclopropylethyl]-3-phenylurea +C[C@@H]1CN=C(S1)NCCc2ccccc2 S0B (5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine +c1csc(n1)NC(=O)CC2CCCC2 S0C 2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide +Cn1cc(cn1)c2[nH]c3ccccc3n2 S0D 2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole +c1cc2c(cc1C(F)(F)F)sc(n2)N S0E 6-(trifluoromethyl)-1,3-benzothiazol-2-amine +c1cc(ccc1Cc2cnc(s2)N)Br S0F 5-(4-bromobenzyl)-1,3-thiazol-2-amine +CN1C(=C(C(=O)NC1=O)N2CCCCC2)N S0G 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione +C[C@@H](CP(=O)(O)O)O S0H (s)-2-hydroxypropylphosphonic acid +c1ccc(cc1)CN2CC(=O)Nc3c2cccc3 S0I 4-benzyl-3,4-dihydroquinoxalin-2(1h)-one +Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N S0J 4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine +c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3 S0K n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide +c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6 S0L 4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O S0N o-succinylbenzoyl-n-coenzyme a +CC(=O)Nc1ccc(cc1)C#N S0P ~{n}-(4-cyanophenyl)ethanamide +B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O S0Q 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O S0S (3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol +c1c(nns1)C(=O)N2CCOCC2 S0V morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone +c1cc(ccc1CCC(=O)O)Cl S0W 3-(4-chlorophenyl)propanoic acid +Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O S0Y 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid +B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O S0Z methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate +CCOC(=O)NCCCNC(=O)OCC S10 diethyl propane-1,3-diylbiscarbamate +CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl S11 5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate +CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O S12 o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine +Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2 S13 (3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol +CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N S14 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium +c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O S16 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid +COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO S17 methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S18 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper +Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N S19 2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide +C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC S1A soraphen a +B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O S1B 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one +CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O S1C 3-(4-acetamidophenyl)benzoic acid +c1cc(cc(c1)C(=O)O)c2ccc(cc2)F S1D 3-(4-fluorophenyl)benzoic acid +B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O S1E n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide +c1ccc(cc1)CNc2ccc(cc2)C(=O)O S1G 4-[(phenylmethyl)amino]benzoic acid +CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N S1H 1-hexadecanosulfonyl-o-l-serine +c1cc(cnc1)CNc2ccc(cc2N)C(=O)O S1J 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid +B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O S1K 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid +CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC S1M methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate +C/C(=C\CCCC=O)/CCC=O S1N (~{e})-4-methylnon-4-enedial +CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O S1P (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate +CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3 S1Q (5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one +c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O S1S 2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid +Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O S1T 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate +CC(=O)N1CCC(CC1)C#N S1V 1-ethanoylpiperidine-4-carbonitrile +CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O S1W 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol +C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O S1Y [(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid +CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4 S1Z (2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O S20 (1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol +c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-] S21 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione +CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O S22 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol +C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O S23 n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine +c1cc(c(cc1O)O)SC(=O)O S24 s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate +c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN S25 n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide +CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O S26 ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate +CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2 S27 n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N S28 n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N S29 n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O S2A (1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside +[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O S2B 3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one +[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O S2C s-2-(boronoethyl)-l-cysteine +C[C@H](C(=O)O)NC(=O)c1ccccc1 S2D n-benzoyl-d-alanine +C(CC(=O)O)[C@@H](C(=O)O)O S2G (2s)-2-hydroxypentanedioic acid +SS S2H hydrogen disulfide +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO S2I 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol +CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC S2J methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate +C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N S2K (2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid +c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O S2L 5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol +CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC S2M 2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate +CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O S2N s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate +c1cc(ccc1CCO)S(=O)(=O)N S2O 4-(2-hydroxyethyl)benzenesulfonamide +C(c1c(nsn1)O)[C@@H](C(=O)O)N S2P (2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid +C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C S2Q 3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide +CS(=O)(=O)Nc1ccc(cc1)C(=O)N S2S 4-(methylsulfonylamino)benzamide +CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O S2T (2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid +CN1CCC(CC1)OC(=O)c2cccc(c2)F S2V (1-methylpiperidin-4-yl) 3-fluoranylbenzoate +Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F S2W ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine +CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O S2X 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +COc1ccc(cc1)NCc2ccc(cc2)F S2Y ~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC S2Z 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N S30 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S31 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 S32 [n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl S33 (2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide +c1cnccc1CNC(=O)CC#N S34 2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide +Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O S35 (3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid +CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2 S36 3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone +CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O S37 (2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N S38 4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide +CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O S3A (2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid +CCC(=O)Oc1c(cccc1C(=O)O)C S3B 3-methyl-2-(propanoyloxy)benzoic acid +c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl S3C (2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid +[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe] S3F oxidized [fe4-s3] cluster +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3 S3G 5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid +SSS S3H trisulfane +c1ccc(cc1)C2CCN(CC2)CC(=O)O S3J 2-(4-phenylpiperidin-1-yl)ethanoic acid +Cn1c(cc(n1)CO)c2ccccc2 S3M (1-methyl-5-phenyl-pyrazol-3-yl)methanol +c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F S3N 7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one +Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3 S3O n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O S3P shikimate-3-phosphate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC S3Q 6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine +CCOC(=O)Cc1ccncc1 S3S ethyl 2-pyridin-4-ylethanoate +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC S3T ~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +c1cnccc1C(=O)O S3V pyridine-4-carboxylic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O S3W n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide +c1cc(ccc1N2C[C@@H](NN2)CO)Cl S3Y [(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol +Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC S3Z ~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine +Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4 S40 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide +Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C S41 n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN S42 6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine +CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2 S43 (4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione +CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O S44 (2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid +c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl S45 (3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine +CN1CCN(CC1)C(=O)c2ccc(cc2)O S46 (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone +c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5 S47 (3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) +Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5 S48 methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N S49 (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N S4A 2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate) +B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O S4B {4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O S4C 4'-thio-4'-deoxy-cytosine-5'-monophosphate +C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3 S4D (1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine +COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5 S4E n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N S4G 2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate) +SS(=S)S S4H trithiosulfurous acid +CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6 S4K 1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide +C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S4M 5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine +C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F S4N (r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine +SSSS S4P dihydrogen tetrasulfide +CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F S4Q 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine +c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6 S4T n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide +C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O S4U 4-thiouridine-5'-phosphate +c1ccc(c(c1)N)Nc2ccccn2 S4V ~{n}2-pyridin-2-ylbenzene-1,2-diamine +CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl S4W 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine +c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl S4Y (2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide +CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F S4Z 2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide +c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5 S51 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5 S52 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole +Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F S53 [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N S54 n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3 S55 methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate +CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N S56 (2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide +COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2 S57 1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole +c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br S58 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole +c1cc(ccc1CCC(=O)O)c2ccc(cc2)O S5A 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid +Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O S5B 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid +Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N S5D (r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F S5E 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide +CC1([C@@H](SC(=S)N1C)NO)C S5G (5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C S5H 5-alpha-pregnane-3-beta-ol-hemisuccinate +COc1ccccc1N2CCN(CC2)CC#N S5J 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile +B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O S5K [(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid +CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 S5M 4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide +C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S S5P 6-sulfanyluridine-5'-phosphate +SSS(S)S S5S 2-sulfanyl-2lambda~4~-tetrasulfane +O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1 S5T monolacunary keggin (sta) +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC S5W macrocyclic safit analogue 55 +CCOCCOCCS S5Y 2-(2-ethoxyethoxy)ethanethiol +c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O S5Z 4-phenyl-2-(sulfanylmethyl)benzoic acid +Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N S60 6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F S61 (s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid +c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O S62 1,3-benzothiazole-2,5-disulfonic acid +COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3 S64 (3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine +[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl S65 heptachlor endo-epoxide +C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S68 endosulfan +Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O S69 n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide +c1cc(c(cc1CO)Cl)n2ccnc2 S6B 3-chloranyl-4-imidazol-1-yl-benzaldehyde +C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F S6D 2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6E (-)cis-chlordane +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N S6G 6-thio-2'-deoxyguanosine-5'-monophosphate +C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl S6H (+)cis-chlordane +c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N S6I 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O S6J 6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile +c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN S6L 2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide +CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C S6M [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate +C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O S6P d-sorbitol-6-phosphate +c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S6Q ~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine +C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O S6S 2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid +CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl S6T pretilachlor +c1ccc(cc1)NC(=O)NCCN2CCCC2=O S6V 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea +c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F S6W fipronil +CC(C)CC1=NC(=O)NC(=C1)C(=O)O S6Y 6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid +CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C S6Z oxadiazon +C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O S70 3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN S71 (r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine +Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC S72 1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide +c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F S73 (2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol +c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5 S74 3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid +CNC1=CC(=O)NC(=O)N1 S76 6-(methylamino)-1h-pyrimidine-2,4-dione +Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F S77 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine +CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4 S78 2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium +c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N S79 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +C1CN(CCN1)C(=O)CC(F)(F)F S7A 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one +Cc1cccc(c1OC(=O)C2CC2)C(=O)O S7B 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid +C[C@H]1CN(CCO1)C(=O)Cn2cccn2 S7D 1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone +Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N S7E 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide +CC(=O)N[C@@H]1Cc2ccccc2NC1 S7G ~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide +C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O S7H 1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione +c1c(cnc(n1)C(F)(F)F)C(=O)N S7J 2-(trifluoromethyl)pyrimidine-5-carboxamide +Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N S7K (s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine +CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S7M [(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium +C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1 S7N (phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O S7P 1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose +C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 S7Q (phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate +CCCC(=O)Nc1nnn(n1)CC S7S ~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide +CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C S7T 4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CN2CCO[C@H](C2)CO S7V [(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol +C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F S7W tegafur +Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O S7Y alosetron +c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO S7Z (e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol +CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC S80 n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N S81 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside +CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4 S82 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F S84 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC S85 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine +Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O S87 ondansetron +C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F S88 n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide +c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3 S89 n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide +c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O S8A (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid +CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 S8B ~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide +CCNC(=O)CN1C[C@H](OC[C@@H]1C)C S8D 2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide +CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O S8E 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine +c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3 S8F 3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine +C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N S8G 1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one +CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N S8H (2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid +CCOc1cccc(c1)C(=O)Nc2nnn(n2)C S8J 3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide +CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4 S8K ~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N S8M (2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol +CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C S8N (2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone +Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2 S8P 5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide +C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC S8Q 2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone +CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F S8T 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine +C1COC[C@@H]1CNC2CC2 S8V ~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine +CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5 S8W ~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide +CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3 S8Y 5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid +COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F S8Z (8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3 S90 n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine +Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N S91 [4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid +c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile +c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4 S94 4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide +c1cc2cnccc2c(c1)S(=O)(=O)O S95 isoquinoline-5-sulfonic acid +Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3 S97 6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N S98 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O S99 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol +Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C S9A ~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide +c1cc2cnccc2c(c1)C(=O)O S9B isoquinoline-5-carboxylic acid +c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3 S9D 2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine +c1cc(ncc1C=O)n2ccnc2Br S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde +C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3 S9G cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone +COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9H 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one +COc1ccccc1OCC(=O)NN S9J 2-(2-methoxyphenoxy)ethanehydrazide +c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 S9K 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one +C(COCCOCCOP(=O)(O)O)O S9L 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate +c1c(cc(c(c1[C@H]2CCNN2)O)F)F S9M 2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol +c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F S9N 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid +Cc1nc2ccc(cc2o1)O S9P 2-methyl-1,3-benzoxazol-6-ol +c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F S9Q 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one +CS(=O)(=O)NCCc1ccc(cc1)F S9S ~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide +COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC S9T (1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline +CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl S9V 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea +c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br S9W ~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide +CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C S9Y 2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br S9Z ~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide +c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SA0 2-(hydroxymethyl)phenyl beta-d-glucopyranoside +C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O SA1 (3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde +C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O SA2 (3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine +c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O SA3 2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione +CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O SA6 (2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde +C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SA8 s-5'-azamethionine-5'-deoxyadenosine +c1ccc(c(c1)CO)O SA9 2-(hydroxymethyl)phenol +C[C@](c1ccccc1)(C(=O)O)O SAA (s)-atrolactic acid +c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N SAB 4-sulfonamide-[1-(4-aminobutane)]benzamide +CC(=O)N[C@@H](CO)C(=O)O SAC n-acetyl-serine +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N SAD beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide +c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N SAE selenazole-4-carboxyamide-adenine dinucleotide +C[C@@H](c1cccc(c1)O)N(C)C SAF 3-[(1s)-1-(dimethylamino)ethyl]phenol +C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F SAG (s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide] +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N SAH s-adenosyl-l-homocysteine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N SAI s-adenosyl-l-homoselenocysteine +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O SAJ (2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid +COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O SAK (2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one +c1ccc(c(c1)C(=O)O)O SAL 2-hydroxybenzoic acid +C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SAM s-adenosylmethionine +c1cc(ccc1N)S(=O)(=O)N SAN sulfanilamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N SAO 5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N SAP adenosine-5'-diphosphate monothiophosphate +c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O SAQ 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CNCC(=O)O SAR sarcosine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O SAS 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid +C(C(=O)O)S(=O)(=O)O SAT sulfoacetic acid +C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6 SAU 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium +Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC SAV n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O SAW (1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide +CCCCCCCCCCCCOc1cccc(c1C(=O)O)O SAX 2-(dodecyloxy)-6-hydroxybenzoic acid +c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O SAY [(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate +CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C SAZ (1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium +[Sb+3] SB antimony (iii) ion +COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F SB0 trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol +CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C SB1 (21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane +C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4 SB2 4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3 SB3 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F SB4 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F SB5 4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole +c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F SB6 4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole +c1ccc(cc1)CCCN(CO)O SB7 [hydroxy(3-phenylpropyl)amino]methanol +c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O SB8 2-(3-benzoylphenoxy)ethyl(hydroxy)formamide +Cc1cccc(n1)CCCN(C=O)O SB9 hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide +CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 SBA carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone +CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3 SBB n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide +c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N SBC 1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBD d-naphthyl-1-acetamido boronic acid alanine +B1(OCCO1)O SBE 1,3,2-dioxaborolan-2-ol +CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4 SBF n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide +C[P@](=O)(O)OC[C@@H](C(=O)O)N SBG o-[(s)-hydroxy(methyl)phosphoryl]-l-serine +C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O SBH (s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate +c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3 SBI sorbinil +CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN SBJ [(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate +c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl SBK triclopyr +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N SBL l-naphthyl-1-acetamido boronic acid alanine +CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC SBM 2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium +Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C SBN 2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile +O[Sb](O)O SBO trihydroxyantimonite(iii) +B1(OCCO1)OCCCNC(=[NH2+])N SBP [3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine +COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SBQ methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate +C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBR (r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 SBS (s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide +CC[C@H](C)O SBT 2-butanol +CCCC SBU sec-butyl group +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O SBV (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside +c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N SBW n-(3-hydroxybenzyl)-4-sulfamoylbenzamide +CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3 SBX 1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate +CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] SBY 3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate +B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N SBZ [4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O SC 2-deoxy-cytidine-5'-thiophosphorate +CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O SC0 (6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid) +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O SC1 [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid +CC(=O)N[C@@H](CS)C(=O)O SC2 n-acetyl-l-cysteine +CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C SC3 7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione +COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl SC4 1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene +C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN SC5 2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol +Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O SC6 n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C SC7 n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide +c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4 SC8 5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F SC9 6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O SCA succinyl-coenzyme a +COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4 SCB 2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid +CCS SCC thioethyl group +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O SCD succinyl(carbadethia)-coenzyme a +Cc1cnc2n1ccnc2NCc3ccncc3 SCE 3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine +c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F SCF 5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SCG secologanin +CSSC[C@@H](C(=O)O)N SCH s-methyl-thio-cysteine +C(C[C@@H](C(=O)O)N)C/N=C(/N)\S SCI l-thiocitrulline +c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4 SCJ 3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C SCK 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium) +CC(=O)ONC(=O)c1ccccc1O SCL acetic acid salicyloyl-amino-ester +C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O SCM spectinomycin +C(#N)[S-] SCN thiocyanate ion +CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O SCO succinamide-coa +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O SCP [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide +c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br SCQ 3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SCR sucrose octasulfate +CCSSC[C@@H](C(=O)O)N SCS 3-(ethyldisulfanyl)-l-alanine +CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO SCT (south)-methanocarba-thymidine +C[N+](C)(C)CCOC(=O)CCC=O SCU n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium +CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N SCV n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine +c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 SCW 3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine +CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F SCX n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine +CC(=O)SC[C@@H](C(=O)O)N SCY s-acetyl-cysteine +c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5 SCZ 3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine +Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C SD1 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide +CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS SD2 n-(sulfanylacetyl)tyrosylprolylmethioninamide +C([C@H](C(=O)O)N)C(=O)NO SD3 n-hydroxy-d-asparagine +C([C@@H](C(=O)O)N)C(=O)NO SD4 n-hydroxy-l-asparagine +c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F SD5 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine +CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3 SD8 2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester +c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N SDA 4-amino-3,5-dichlorobenzenesulfonamide +C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N SDB (4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid +C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N SDC s-[2-(aminosulfonyl)ethyl]-d-cysteine +C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O SDD d-sorbose +c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O SDE (s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate +c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S SDF [(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N SDG 2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol +C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O SDH (5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione +c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O SDJ (2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 SDK 1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone +C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O SDL 2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione +CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O SDN [(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid +CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O SDO n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide +CCOP(=O)(OCC)OC[C@@H](C(=O)O)N SDP 2-amino-3-(diethoxy-phosphoryloxy)-propionic acid +c1ccc(cc1)CS SDQ phenylmethanethiol +CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C SDR (2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid +CCCCCCCCCCCCOS(=O)(=O)O SDS dodecyl sulfate +Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O SDT 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione +c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F SDV n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide +CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O SDX s-citryldethia coenzyme a +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O SDY beta-d-talopyranose +c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O SDZ 1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine +[SeH2] SE selenium atom +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2 SE0 (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +c1ccc2c(c1)C=C(C(=O)O2)O SE2 3-hydroxy-2h-chromen-2-one +[O-][Se](=O)(=O)[O-] SE4 selenate ion +c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl SE5 4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid +C([C@@H](C(=O)O)N)[Se](=O)O SE7 2-amino-3-selenino-propionic acid +C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O SE8 5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid +C(CS)N SEA thioethylamine +c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N SEB o-benzylsulfonyl-serine +C([C@@H](C(=O)O)N)[SeH] SEC selenocysteine +[B-](O)(O)(O)OC[C@@H](C(=O)O)N SEE trihydroxy(l-serinato-kappao~3~)borate(1-) +CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F SEF ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate +C([C@@H](C(=O)O)N)O SEG hydroxyalanine +CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 SEH s-benzyl phenylacetothiohydroximate-o-sulfate +CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3 SEI 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide +C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O SEJ beta-d-arabinopyranose +C(#N)[Se-] SEK selenocyanate ion +C(C(CO)N)O SEL 2-amino-1,3-propanediol +c1ccc(cc1)COC[C@@H](C(=O)O)N SEM o-benzyl-l-serine +CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N SEN o-[n,n-dimethylphosphoramidate]-l-serine +C(CS)O SEO 2-mercaptoethanol +C([C@@H](C(=O)O)N)OP(=O)(O)O SEP phosphoserine +C([C@@H](C(=O)O)N)O SER serine +C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 l-serine c-terminal deprotonated fragment +C([C@@H](C(=O)O)[NH-])O SER_LEO2H l-serine c-terminal protonated fragment +C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG l-serine-c-terminal protonated fragment/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG l-serine-c-terminal deprotonated fragment/with side chain deprotonated og +C([C@@H](C(=O)O)N)O SER_LFOH l-serine free neutral +C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG l-serine-free neutral/with side chain deprotonated og +C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW l-serine free zwitterion +C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG l-serine-free zwitterion/with side chain deprotonated og +C([C@@H]([C-]=O)[NH-])O SER_LL l-serine - linking embedded fragment +C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG l-serine-linking embedded fragment/with side chain deprotonated og +C([C@@H]([C-]=O)[NH3+])O SER_LSN3 l-serine n-terminal protonated fragment +C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG l-serine-n-terminal protonated fragment/with side chain deprotonated og +CCCCc1c([se]c(n1)N)CCC SES 4-butyl-5-propyl-1,3-selenazol-2-amine +C([C@@H](C(=O)N)N)O SET aminoserine +CCSC(=N)N SEU s-ethylisothiourea +COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SEV 3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide +C(=[Se])(N)N SEY selenourea +Cc1cc(cc(c1)C)C SEZ 1,3,5-trimethylbenzene +c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF1 1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid +COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl SF2 5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid +S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe] SF3 fe4-s3 cluster +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 SF4 iron/sulfur cluster +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC SF5 methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate +C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O SF6 alpha-l-psicofuranose +CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F SF7 (3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide +C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O SF8 (2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid +C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O SF9 beta-l-psicofuranose +CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C SFA sanglifehrin a +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N SFB (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide +CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O SFC (s)-ibuprofenoyl-coenzyme a +Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O SFD (s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid +c1ccc(cc1)C(CC(=O)O)N SFE (3s)-3-amino-3-phenylpropanoic acid +C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2 SFF (4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N SFG sinefungin +c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O SFH 5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O SFI 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O SFJ (2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid +CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O SFK n-(4-methylpentanoyl)-l-phenylalanine +F[Sc-](F)(F)F SFL scandium tetrafluoride +C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O SFM (13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone +[O-]S(=O)=O SFN sulfonate group +O[SH](=O)O SFO sulfonic acid +c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3 SFP 5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine +c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I SFQ 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid +C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O SFR (2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid +[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45 SFS fe4-se4 cluster +CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O SFT sulfogalactoceramide +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O SFU methyl 1-seleno-alpha-l-fucopyranoside +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O SFV [[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid +Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3 SFW 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole +CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F SFX (3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N SFY 4-amino-n-(pyridin-2-yl)benzenesulfonamide +c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O SG1 3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide +CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N SG2 1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide +C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F SG3 [(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG4 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose +CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N SG5 2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose +CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N SG6 4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose +CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N SG7 3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl SG8 3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide +C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O SG9 spongistatin-1 +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O SGA 3-o-sulfo-beta-d-galactopyranose +CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N SGB o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O SGC 4-thio-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S SGD 6-thio-alpha-d-glucopyranose +C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 SGE 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O SGF (2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside +C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O SGG [(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid +Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3 SGH 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole +c1cc(ccc1CCC(=O)N)O SGI 3-(4-hydroxyphenyl)propanamide +C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O SGJ 1,4-dideoxy-4-thio-nojirimycin +c1ccnc(c1)CNCC(=O)O SGK 2-(pyridin-2-ylmethylamino)ethanoic acid +C([C@H](CSO)O)O SGL 1-hydroxy-1-thio-glycerol +C([C@H](CS)O)O SGM monothioglycerol +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O SGN 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N SGP guanosine-2',3'-cyclophosphorothioate +CO[P@](=O)(N)OC[C@@H](C(=O)O)N SGR o-[(r)-amino(methoxy)phosphoryl]-l-serine +COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SGS (e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N SGT 2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N SGV sangivamycin +COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl SGW 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one +COP(=O)(N)OC[C@@H](C(=O)O)N SGX o-[(s)-amino(methoxy)phosphoryl]-l-serine +c1ccc2c(c1)cccc2CC=O SGZ 2-naphthalen-1-ylethanal +C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SH0 3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate +C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1 SH1 n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH2 (r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O SH3 n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-] SH4 (1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N SH5 5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine +C(CCCC(=O)O)CCCBr SH6 8-bromooctanoic acid +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl SH7 (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate +Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O SH8 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid +c1ccc(c(c1)C(=O)NO)O SHA salicylhydroxamic acid +COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O SHB methyl beta-d-galactopyranuronate +CCCCCCSC[C@@H](C(=O)O)N SHC s-hexylcysteine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O SHD alpha-d-altropyranose +CC(=O)CCC(=O)O SHF laevulinic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O SHG 2-deoxy-2-fluoro-beta-d-glucopyranose +c1ccc(cc1)NC(=O)CCCCCCC(=O)NO SHH octanedioic acid hydroxyamide phenylamide +c1c(c(no1)O)C[C@@H](C(=O)O)N SHI (s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid +CC1=C(C(=O)C=C(O1)C(=O)O)O SHL 5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid +C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2 SHM homobiotin +CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O SHN 3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +C(CCO)CC(=O)O SHO 5-hydroxylaevulinic acid +c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O SHP (4-hydroxymaltosephenyl)glycine +C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N SHR n-(5-amino-5-carboxypentyl)glutamic acid +C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O SHT o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine +CC(=O)CC(=O)CCC(=O)O SHU 4,6-dioxoheptanoic acid +CCCCCCC(=O)O SHV heptanoic acid +CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O SHW s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate +Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl SHX nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide +[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N SHY 4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI0 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N SI1 n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SI2 o-sialic acid (chair conformation) +CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O SI3 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI4 [cuii(biot-pr-dpea)]2+ +Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N SI5 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4 SI6 (4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI7 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI8 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper +C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SI9 [cuii(biot-bu-dpea)]2+ +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SIA n-acetyl-alpha-neuraminic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O SIB (2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid +C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N SIC (2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O SID methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N SIE sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester +C[Si](C)(C)C(CC(=O)O)C(=O)O SIF 3-trimethylsilylsuccinic acid +C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C SIG stigmatellin +CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C SIH progesterone-11-alpha-ol-hemisuccinate +CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5 SII n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide +c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3 SIJ 6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine +CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C SIL [(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate +CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C SIM simvastatin acid +C(CC(=O)O)C(=O)O SIN succinic acid +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C SIO methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid +c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F SIP 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one +C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O SIR cobalt sirohydrochlorin +C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O SIS (1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside +[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] SIW keggin (sta) +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F SIX 2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O SIZ 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose +[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C SJ1 n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide +[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C SJ2 ~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide +C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O SJ5 (3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid +c1cc(ccc1/C=C/C(=O)O)F SJ8 (~{e})-3-(4-fluorophenyl)prop-2-enoic acid +C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C SJA amorphadiene +COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F SJD 3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide +CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJG ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3 SJJ 5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide +C1CSC2=NC=C(C(=O)N21)C(=O)NCCS SJK 5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide +CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C SJM ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide +Cc1ccc2c(n1)NC=C(C2=O)C(=O)O SJN 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid +C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N SJP (2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide +C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F SJQ 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one +COc1ccc(cc1)C(=O)Nc2ccccn2 SJR 4-methoxy-n-(pyridin-2-yl)benzamide +c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F SJS 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one +C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C SJT spliceostatin a (form ii) +Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC SJV methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate +c1cc(cnc1)CCC=O SJW 3-pyridin-3-ylpropanal +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O SJY 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid +Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 SJZ (~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid +c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O SK0 (1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N SK1 n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O SK2 (3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester +c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O SK3 (1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol +COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C SK4 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide +c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F SK5 (e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one +Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N SK6 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile +CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO SK7 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F SK8 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole +Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C SK9 (1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol +c1cc(c(c2c1CCNC2)Cl)Cl SKA 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline +c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F SKB (e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one +CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O SKD 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid +c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide +c1cc2c(cc1S(=O)(=O)N)CNCC2 SKF 1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide +C[C@H]([C@@H](C(=O)O)N)C(C)C SKG 4-methylisoleucine +C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O SKH (3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid +CCC[C@@H](C)[C@@H](C(=O)O)N SKJ beta-methylnorleucine +Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N SKK n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O SKM (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid +B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O SKN ((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid +Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC SKO n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine +C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O SKP 5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid +C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl SKQ 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one +c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O SKT (3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid +CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F SKV 2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide +C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br SKW ~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O SKY 1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole +C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O SKZ [2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron +CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C SL0 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside +c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O SL1 n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide +CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C SL2 3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C SL3 2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate +CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O SL4 5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile +C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O SL5 (2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid +c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl SL6 (z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid +CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O SL7 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid +C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br SL8 ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide +C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O SLA omuralide, open form +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O SLB n-acetyl-beta-neuraminic acid +C=C(C[SeH])C(=O)N1CCCC1C(=O)O SLC seleno-captopril +CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C SLD (3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide +CC(C)C[C@H](CS)C(=O)O SLE 2-(thiomethylene)-4-methylpentanoic acid +CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O SLF sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine +CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl SLG 2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid +c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O SLH (2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal +c1ccc(cc1)NC(=O)c2ccccc2O SLI 2-hydroxy-n-phenylbenzamide +CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O SLJ 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid +Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N SLK ~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide +C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N SLL (2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid +CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O SLM (2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide +CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C SLN 1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O SLO 2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid +C(C[SeH])C(=O)O SLP 3-selanylpropanoic acid +CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4 SLQ (2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol +C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O SLR (3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline +c1cc2c(cc1C(=O)N)CCCO2 SLS 3,4-dihydro-2~{h}-chromene-6-carboxamide +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O SLT 5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose +c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O SLU 5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine +CCCc1ccc(cc1O)NC(=O)C SLV ~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide +CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl SLW 4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide +COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC SLX (13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol +c1ccc(cc1)Oc2ccccc2CN SLY (2-phenoxyphenyl)methanamine +C(CSC[C@@H](C(=O)O)N)N SLZ l-thialysine +[Sm+3] SM samarium (iii) ion +[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2 SM1 n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide +B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O SM2 (1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid +B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O SM3 (1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid +B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O SM4 (1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid +c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O SM5 (1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime +CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO SM6 ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate +c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4 SM7 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C SM8 simocyclinone d8 +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C SM9 n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide +C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC SMA stigmatellin a +CC[C@H](C)C(=O)O SMB 2-methylbutanoic acid +CSC[C@@H](C(=O)O)N SMC s-methylcysteine +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SMD methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside +C[S@@](=O)CC[C@@H](C(=O)O)N SME methionine sulfoxide +c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O SMF 4-sulfomethyl-l-phenylalanine +CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O SMG n-succinyl methionine +CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C SMH n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide +C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O SMI spectinomycin +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N SMK (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CS(=O)(=O)c1ccccc1 SML phenyl methyl sulfone +COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N SMM s-adenosylmethionine methyl ester +c1ccc(cc1)[C@@H](C(=O)O)O SMN (s)-mandelic acid +O=[Mo](=O)=S SMO dioxosulfidomolybdenum(vi) ion +C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O SMP 2'-deoxy-adenosine-5'-sp-monomethylphosphonate +C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C SMQ simocyclinone c4 +CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C SMR n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide +CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C SMS sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC SMT 2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate +c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1 SMU [5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese +c1cc(sc1)C(=S)N SMV thiophene-2-carbothioamide +CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC SMW (2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid +Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O SMX (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid +C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1 SMY (2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC SMZ n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine +CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O SN0 n-(3-carboxypropanoyl)-l-norvaline +c1cc(c(cc1O)O)\C=C\C(=O)O SN1 2,4-dihydroxy-trans cinnamic acid +c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N SN2 5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide +[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O SN3 (r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate +COc1ccc(cn1)C(=S)N SN4 6-methoxypyridine-3-carbothioamide +CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SN5 2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C SN6 1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium +C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C SN7 4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate +Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C SN8 1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C SN9 8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium +c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O SNA n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid +COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br SNB 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline +C([C@@H](C(=O)O)N)SN=O SNC s-nitroso-cysteine +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N SND thionicotinamide-adenine-dinucleotide +CC(C)[C@@]12CCC(=C)[C@@H]1C2 SNE sabinene +C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 SNF (n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O SNG methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside +Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C SNH 5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se] SNI 9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione +c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3 SNJ 2,5-diphenyl-4~{h}-pyrazol-3-one +CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N SNK (2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid +CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C SNL spironolactone +CN(C)[C@@H](CO)C(=O)O SNM n,n-dimethyl-l-serine +C1[C@@H](C(=O)NC1=O)N SNN l-3-aminosuccinimide +c1cc(ccc1[C@H]2CO2)[N+](=O)[O-] SNO (s)-para-nitrostyrene oxide +CC(C)NC[C@@H](COc1cccc2c1cccc2)O SNP 1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol +c1ccn(c1)c2ccc(cc2C#N)N SNQ 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile +C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 SNR norbiotin +c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F SNS 3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine +Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4 SNT (e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine +c1ccn(c1)c2ccc(cc2)N SNU 4-(1h-pyrrol-1-yl)aniline +c1ccc(c(c1)N)N2CCN(CC2)CCO SNV 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol +C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O SNW deoxyfructosylglutamine +COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O SNX 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide +COc1cc(cc(c1O)OC)/C=C/C=O SNY (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal +c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O SNZ n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea +C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O SO1 [1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid +O=S=O SO2 sulfur dioxide +[O-]S(=O)[O-] SO3 sulfite ion +[O-]S(=O)(=O)[O-] SO4 sulfate ion +C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O SO5 (2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid +CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC SO7 (3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide +CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N SO8 2'-(l-isoleucyl)amino-2'-deoxyadenosine +c1ccc(c(c1)CO)N SOA isatoic anhydride +C([C@@H](C(=O)O)N)[SeH](=O)=O SOC dioxyselenocysteine +C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl SOD (1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci +C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O SOE alpha-l-sorbopyranose +CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4 SOF 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone +CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SOG octyl 1-thio-beta-d-glucopyranoside +OS(=O)(=O)[O-] SOH hydrogen sulfate +c1ccc(cc1)Nc2ccc(cc2)N SOJ ~{n}4-phenylbenzene-1,4-diamine +C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O SOL l-sorbose +C[P@H](=O)O SOM methyl phosphinic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N SON adenosine phosphonoacetic acid +CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SOO s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate +CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O SOP [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate +CN[C@@H](CC(=O)O)C(=O)O SOQ n-methyl-l-aspartic acid +C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O SOR sorbitol +c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O SOS [(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate +C1COCCN1S(=O)(=O)O SOT morpholine-4-sulfonic acid +Cc1ccc(cc1C#N)N2C(=O)C=CC2=O SOV 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile +CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C SOX n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide +Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N SOY oxacillin-acylated serine +c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F SP0 3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N SP1 6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol +CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C SP2 3,4-dihydrospheroidene +c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F SP3 n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide +CC(=O)NCCCNCCCCNCCCN SP5 n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide +c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4 SP6 benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate +C[C@@H](CCNCCCCN)NC(=O)C SP7 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide +C[C@@H](CCNCCCCN)NC(=O)c1ccccc1 SP8 n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +C[C@H](CCNCCCCN)NC(=O)c1ccccc1 SP9 n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide +c1cc(sc1)CC(=O)O SPA thiopheneacetic acid +c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O SPB 4-(4-styryl-phenylcarbamoyl)-butyric acid +COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC SPC n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide +C(CCNCCCN)CN SPD spermidine +C(CN)CNCCCNCCCN SPE thermine +CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C SPF sinapoyl coenzyme a +c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O SPG 2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine +CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O SPH sphingosine +COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3 SPI n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide +C[C@H](CCNCCCCNCC[C@@H](C)N)N SPJ (3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] SPK spermine (fully protonated form) +CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O SPL octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide +C(CCNCCCN)CNCCCN SPM spermine +CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C SPN speroidenone +CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C SPO spheroidene +CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C SPP (1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine +C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O SPQ (3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid +C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C SPR spiramycin i +CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC SPS sparsomycin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O SPT 5'-thio-thymidine phosphonic acid +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O SPU 2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium +C(C(=O)C(=O)O)S(=O)(=O)O SPV sulfopyruvate +[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H] SPW n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium +C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC SPX sphinxolide b +c1cnccc1S(=O)(=O)O SPY pyridine-4-sulfonic acid +C[C@@H](CCNCCCCNCC[C@H](C)N)N SPZ (3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine +CCNC1C(C(=O)C1=O)NC SQ 3-ethylamino-4-methylamino-cyclobutane-1,2-dione +C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO SQ0 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione +C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6 SQ1 [n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper +CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SQ2 2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one +c1cc(ccc1N)N2C(=O)C=CC2=O SQ4 1-(4-aminophenyl)pyrrole-2,5-dione +c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3 SQ5 (5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione +c1cc(ccc1N2C(=O)C=NC2=O)Cl SQ7 3-(4-chlorophenyl)imidazole-2,4-dione +CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F SQ8 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one +Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N SQ9 3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide +CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C SQA 2-azasqualene +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC SQB 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC SQD 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol +CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N SQE 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +c1cc(ccc1NC(=O)CC#N)OC(F)(F)F SQG 2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide +c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O SQH 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one +Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F SQK 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one +CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C SQL (6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene +Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N SQM 4-benzamido-2-methyl-pyrazole-3-carboxamide +c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O SQO 2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +c1ccc(c(c1)c2ccc(cc2)N)C(=O)O SQP 2-(4-aminophenyl)benzoic acid +Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC SQQ 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one +CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O SQS (2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol +CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C SQU 2,10,23-trimethyl-tetracosane +C[C@@H](c1cc(ccn1)OC)C(=O)OC SQV methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate +CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2 SQW propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate +C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C SQX 13-desmethyl spirolide c +COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2 SQY methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate +C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6 SQZ 5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole +[Sr+2] SR strontium ion +C(CC[NH2+]CCC[NH3+])C[NH3+] SR0 n~1~-(3-azaniumylpropyl)butane-1,4-diaminium +CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O SR1 5-s-methyl-5-thio-alpha-d-ribofuranose +CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br SR2 (2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide +C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O SR3 (2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid +c1ccc2c(c1)C(=CCCO2)C(=O)O SR4 2,3-dihydro-1-benzoxepine-5-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC SR5 (2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid +c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5 SR7 n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide +CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3 SR8 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea +CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4 SR9 (2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N SRA adenosine -5'-thio-monophosphate +[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRB l-1-naphthyl-2-acetamido-ethane boronic acid +[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O SRD d-1-naphthyl-2-acetamido-ethane boronic acid +CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl SRE (1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine +CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SRG (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid +CCOC(=O)CCC(=O)N1CCc2c1cccc2 SRH ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +[H]/N=C(\CO)/C(=O)O SRI (2z)-3-hydroxy-2-iminopropanoic acid +c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O SRJ (3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol +c1ccc2c(c1)CCN2C(=O)CCC(=O)O SRK 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid +CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC SRL [2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester +C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O SRM siroheme +C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C SRN sorangicin a +c1cc2c(cc1O)c(c[nH]2)CCN SRO serotonin +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N SRP seryl adenylate +c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F SRQ 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate +CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC SRR 4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol +CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O SRS 4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine +[C@H]([C@H](C(=O)O)O)(C(=O)O)O SRT s,r meso-tartaric acid +CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC SRV (2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid +CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C SRX chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+) +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O SRY streptomycin +C(CO)COC[C@@H](C(=O)O)N SRZ propoxy-l-serine +CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N SS0 (8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine +C[C@@H](c1ccccc1)O SS1 1-phenylethanol +C[C@H](c1ccccc1)O SS2 (1r)-1-phenylethanol +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N SS3 (2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N SS4 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole +Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N SS5 (2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine +Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N SS6 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea +Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C SS7 4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate +c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O SS8 3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid +C(CCNCCCN)CCS SS9 5-[(3-aminopropyl)amino]pentane-1-thiol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N SSA 5'-o-(n-(l-seryl)-sulfamoyl)adenosine +CCCC[C@H]1CC[S@](=O)C1 SSB 3-butylthiolane 1-oxide +C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O SSC (2s,5s)-5-carboxymethylproline +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O SSD 1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSE 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt +Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC SSF 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O SSG 1,4-dithio-beta-d-glucopyranose +C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O SSH 3-deoxy-d-arabino-hexonic acid +c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO SSI [(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid +CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C SSJ 2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate) +c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N SSK (1s,2s)-1,2-diphenylethane-1,2-diamine +CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C SSL (3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate +CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC SSM (2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide +C(CC(=O)O)C=O SSN 4-oxobutanoic acid +C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O SSO 1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt +CCCSSCCC SSP dithiobis-(propane) +c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl SSQ 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 SSR 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol +c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O SSS n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid +C([C@@H](C([C@H](CO)O)O)O)O SST l-arabinitol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O SSU uridine-5'-phosphorothioate +C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C SSV (3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one +c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F SSW 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +CC(=O)c1cccc(c1)NC(=O)C(F)(F)F SSY ~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide +CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-] ST1 4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid +CC(=O)Nc1c(cc(cc1O)C(=O)O)N ST2 4-(acetylamino)-5-amino-3-hydroxybenzoic acid +CC(=O)Nc1ccc(cc1N)C(=O)O ST3 4-(acetylamino)-3-amino benzoic acid +CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O ST4 4-(acetylamino)-3-guanidinobenzoic acid +CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O ST5 4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid +CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O ST6 4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid +[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC ST7 n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide +c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N ST8 4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide +CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ST9 stearoyl-coenzyme a +CC(C)C[C@@H]([C@H](CC(=O)O)O)N STA statine +c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N STB 4-sulfonamide-[4-(thiomethylaminobutane)]benzamide +c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl STC 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid +C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C STD streptolydigin +CCCCCCCCCCCCCCCCCC(=O)O STE stearic acid +c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F STF (5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one +C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O STG estriol 3-(b-d-glucuronide) +c1ccc2c(c1)C(S[C@H](O2)N)O STH 2-amino-4h-1,3-benzoxathiin-4-ol +Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C STI 4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide +c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F STJ 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide +c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2 STK 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O STL resveratrol +Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC STM methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate +CC(C)C[C@H](CN(C=O)O)C(=O)O STN 2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STO staurosporine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N STP 2'-deoxyadenosine 5'-o-(1-thiotriphosphate) +c1ccc2c(c1)CCC[C@@H]2N STQ (1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine +CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C STR progesterone +c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2 STS 2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium +c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O STT 2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STU staurosporine +CCS(=O)(=O)NCc1ccc2c(c1)OCO2 STV ~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O STW stachyose +CC(C)(C)c1nnc(o1)C(=O)CNC STX 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O STY tyrosine-o-sulphonic acid +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O STZ streptozotocin +COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N SU0 2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide +Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O SU1 3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone +c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O SU2 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone +CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C SU3 (5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide +C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O SU4 n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide +c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3 SU5 1~{h}-indol-2-yl(pyridin-3-yl)methanone +Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O SU6 3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid +c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile +CCCC[C@H](CC(=O)O)C(=O)O SU8 (2r)-2-butylbutanedioic acid +COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2 SU9 (3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one +c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N SUA (4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester +CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C SUB 3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SUC sucrose +C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O SUD 4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate +CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1 SUE (1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide +CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O SUF [2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid) +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N SUG n~2~-(3-carboxypropanoyl)-l-arginine +C[C@@H](CC(=O)O)C(=O)O SUH (2s)-2-methylbutanedioic acid +C1[C@@H](C(=O)N(C1=O)CC(=O)O)N SUI (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid +C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O SUJ (2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid +[O-]S(=O)(=O)[O-] SUL sulfate anion +CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N SUN o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine +C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN SUO n~2~-(3-carboxypropanoyl)-l-ornithine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O SUP sucrose-6-phoshpate +c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl SUQ 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O SUR 1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O SUS 2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SUT 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one +Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5 SUV [(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone +CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O SUW me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac +CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl SUY (1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine +CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O SUZ [(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid +c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N SV1 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate +c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N SV2 [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) +Cc1cccnc1N2CCCNCC2 SV4 1-(3-methylpyridin-2-yl)-1,4-diazepane +c1ccc(cc1)Cn2ccc3c2C=CNC3=O SV5 1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one +CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5 SV6 (1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide +c1ccc(cc1)P(=O)(O)O SV7 phenylphosphonic acid +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O SV8 3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-] SVA serine vanadate +CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S SVB n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide +CC(C)(C)[C@H]1CC(=O)N(N1O)C SVD (5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one +CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC SVE n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +CC(=O)N1CCC(CC1)Cc2ccc(cc2)F SVF 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone +C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl SVG (~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine +c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F SVH 3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +CN1[C@@H]2CC[C@H]1CC(C2)N SVJ (1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine +c1ccc(cc1)Cc2c[nH]c3c2cccn3 SVK 3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3 SVM 1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea +c1cnc2c(n1)c(cs2)N SVN thieno[2,3-b]pyrazin-7-amine +CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl SVP chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium +c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl SVQ 1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid +Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O SVR 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid +c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O SVS 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine +COc1ccc2c(c1)cn[nH]2 SVT 5-methoxy-1~{h}-indazole +C([C@@H](C(=O)O)N)O[P@](=O)(N)O SVV o-[(s)-amino(hydroxy)phosphoryl]-l-serine +C([C@@H](C(=O)O)N)O[P@@](=O)(N)O SVW o-[(r)-amino(hydroxy)phosphoryl]-l-serine +CCO[P@](=O)(C)OC[C@@H](C(=O)O)N SVX o-[(r)-ethoxy(methyl)phosphoryl]-l-serine +CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C SVY o-[bis(1-methylethoxy)phosphoryl]-l-serine +CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N SVZ o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine +c1cc(sc1)c2nc(cs2)CN SW1 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine +c1ccn(c1)c2cccc(c2)CN SW2 1-[3-(1h-pyrrol-1-yl)phenyl]methanamine +Cc1cc(nn1C)CN SW3 1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine +c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO SW4 2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol +c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SW5 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +Cc1ccc(cc1)C(=O)N SW7 4-methylbenzamide +c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SW8 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O SWA 1s-8ab-octahydro-indolizidine-1a,2a,8b-triol +Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O SWB 3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one +c1csc2c1ncnc2Cl SWD 4-chloranylthieno[3,2-d]pyrimidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SWE alpha-d-fructofuranosyl alpha-d-glucopyranoside +CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O SWF s-warfarin +c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O SWG 2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid +[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O SWH {4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) +C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC SWI swinholide a +CC(=O)[C@H](CC#C)NC(=O)CN SWJ 2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide +c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F SWK 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 SWN 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F SWP methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate +CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2 SWQ 6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O SWS 7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide +Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2 SWT 6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one +c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F SWV ~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide +C(CSC[C@H](C(=O)O)N)O SWW (2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid +c1cc(ccc1CO)c2cncnc2 SWX (4-pyrimidin-5-ylphenyl)methanol +COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6 SWY 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione +O=S SX sulfur oxide +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br SX0 (2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name) +c1cc(c(cc1Br)C(=O)O)N SX1 2-amino-5-bromobenzoic acid +c1cc(ncc1Br)NC(=O)CCC(=O)O SX2 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C SX3 4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline +c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl SX4 4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline +C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C SX5 4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid +C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C SX6 n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide +CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N SX7 2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide +Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5 SX8 6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline +CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXA thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester +CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-] SXC bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+) +CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXD n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N SXE o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine +c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F SXG 2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide +CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXH s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate +c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O SXI (3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid +C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O SXJ (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid +c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O SXK [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O SXM 3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid +CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C SXN salinixanthin +CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate +c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl SXQ 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one +CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O SXR n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide +c1cc2c(cc1N)S(=O)(=O)NC2=O SXS 6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide +CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SXV n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide +COc1cc(cc(c1O)OC)\C=C\C(=O)O SXX sinapinate +CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O SXZ (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid +c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N SY1 2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile +CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O SY2 n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine +CCCS(=O)(=O)Nc1cc(c(cc1F)F)N SY4 ~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide +CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N SY5 2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid +COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC SY7 2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine +CC(=O)CCCN SY8 5-azanylpentan-2-one +c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5 SY9 strychnine +COc1c(c(cc(c1F)F)C(=O)O)F SYA 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid +c1ccnc(c1)CP(=O)(O)O SYC (pyridin-2-ylmethyl)phosphonic acid +c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O SYD [(5-phenylpyridin-2-yl)methyl]phosphonic acid +c1ccc2c(c1)ccc(n2)CP(=O)(O)O SYE (quinolin-2-ylmethyl)phosphonic acid +CC[C@@H](c1ccccc1O)N SYG 2-[(1~{s})-1-azanylpropyl]phenol +C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2 SYH 2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one +c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2 SYJ 2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide +C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O SYM 2s,4r-4-methylglutamate +C=Cc1ccccc1 SYN ethenylbenzene +CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O SYO [(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate +CCC(=O)NCCNc1cc(ncn1)NCCS SYP n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide +Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2 SYQ (s)-n-(1-cyclopropylethyl)-6-methylpicolinamide +COc1cc(cc(c1O)OC)C(=O)OC SYR syringate +C([C@@H](C(=O)O)N)[Se]CC(=O)N SYS 3-[(2-amino-2-oxoethyl)selanyl]-l-alanine +C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4 SYT (5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium +CN1c2ccc(cc2OC1=O)N SYV 6-azanyl-3-methyl-1,3-benzoxazol-2-one +C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C SYW (r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one +COC(=O)c1c(ccs1)NC(=O)Cc2cccs2 SYY methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate +Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O SYZ n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide +c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N SZ0 (2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid +C1CCCC(CC1)N SZ1 cycloheptanamine +c1cnccc1c2nc(on2)C3CCCCC3 SZ2 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole +C1CC(CCC1N)O SZ3 trans-4-aminocyclohexanol +COc1cccc(c1)CN SZ4 1-(3-methoxyphenyl)methanamine +Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 SZ5 2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl SZ6 n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide +c1cc(sc1)/C=N/NC(=O)C2CC2 SZ7 ~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide +CN1C[C@@H](C[C@H]1C(=O)OC)N SZ8 methyl (4r)-4-amino-1-methyl-l-prolinate +Cc1cc(c(o1)C)CN SZ9 1-(2,5-dimethylfuran-3-yl)methanamine +c1cc(sc1)CCNC(=O)c2ccncc2 SZA ~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide +C1=CC(=O)NC1=O SZB succinimide +c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F SZC n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F SZD 3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide +CN1CC[N@](CC1=O)c2c(cccn2)F SZE 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F SZG ~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide +C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN SZH (2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate +c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F SZJ ~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide +CCn1c2ccccc2nc1NCc3ccco3 SZK (1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee +COc1c2c([nH]cn2)ncn1 SZL 6-methoxy-9h-purine +Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O SZN n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide +c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F SZP n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide +COc1cc(ccc1O)/C=C/C(=O)OC SZQ trans-methylferulate +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O SZS methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside +c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O SZV 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid +CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N SZW 3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile +Cc1ccncc1NC(=O)C SZY n-(4-methylpyridin-3-yl)acetamide +C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O SZZ sinigrin +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T thymidine-5'-monophosphate +c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N T00 n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T01 n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine +Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O T02 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(ccc1CSc2[nH]cnn2)F T03 3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole +c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F T04 2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid +Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C T05 4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid +CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O T06 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid +c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N T07 5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine +Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O T08 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol +C1CC2=C(NC1)N=C(NC2=O)N T0A 5-deazatetrahydropterin +COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5 T0B [(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl T0D (2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide +c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F T0E 5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O T0H (1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol +c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N T0I (2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid +c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N T0J n~1~-phenylpiperidine-1,4-dicarboxamide +CC[Hg]Sc1ccccc1C(=O)O T0M thiomersal +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0N ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F T0P [(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O T0Q ~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid +CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3 T0R toremifene +CC(=O)NCc1ccc(cc1)S(=O)(=O)N T0S n-[(4-sulfamoylphenyl)methyl]acetamide +c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N T0T (1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol +c1cc(cc(c1)F)CNCc2ccco2 T0V 1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine +CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2 T0W 2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide +c1cscc1CN2CCC(CC2)O T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-ol +c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 T10 [1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester +c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F T11 4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine +CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-] T12 1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate +COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F T13 2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide +c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F T14 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene +Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C T15 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide +B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O T16 borolog2 +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C T17 {[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O T18 n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide +B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O T19 phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval +CC[As+](CC)(CC)CC T1A tetraethylarsonium ion +CCc1ccc2c(c1)nc([nH]2)c3cnnn3C T1B 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole +CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C T1C tigecycline +COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3 T1D 5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide +CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC T1E 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine +C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O T1G (2s,3s)-3-hydroxy-2-methylbutanoyl-coa +CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C T1H 2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide +c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O T1J 2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol +CCN(C)c1cc(nc2n1ccn2)c3ccccc3O T1K 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol +C[C@@H]1[C@H](CCCN1Cc2ccccc2)O T1M (2r,3r)-1-benzyl-2-methylpiperidin-3-ol +C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O T1N (2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid +CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2 T1O 5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T1P 3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F T1Q n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC T1R (1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc(cc(c1)Cl)CN2CCOCC2 T1S 4-[(3-chlorophenyl)methyl]morpholine +c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4 T1T 7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2 T1V 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1CCCCN1C(=O)N2CCOCC2 T1W [(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone +CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F T1Y 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1n2cc(nn2)CO)Cl)Cl T1Z [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol +c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5 T20 3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide +c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O T21 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one +CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N T22 2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile +C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O T23 2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate +CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O T24 (9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid +CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O T25 (9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid +c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O T26 (2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid +Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N T27 4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile +c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N T28 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine +B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O T29 tri166 (bifunctional boronate inhibitor) +Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC T2A 5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine +c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I T2B 4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol +C1CS[C@H](N1)C(=O)O T2C (2s)-1,3-thiazolidine-2-carboxylic acid +c1ccc(cc1)N2CC(=O)NS2(=O)=O T2D 1,2,5-thiadiazolidin-3-one-1,1-dioxide +c1cc(cnc1)CNc2ccc(cc2C(=O)O)N T2E 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid +Cc1cccc(c1)CN2CCN(CC2)C(=O)C T2G 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one +CCOc1cccc(c1)c2nnc(s2)N T2H 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine +CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-] T2J 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl T2K 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid +CC(C)(C)OC(=O)NN(C)C#N T2M tert-butyl 2-cyano-2-methylhydrazinecarboxylate +O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1 T2N 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T2P 3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F T2Q 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C T2R (1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O T2S thymidine-5'-dithiophosphorate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O T2T [(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2 T2V 1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one +C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC T2W [(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate +CC(=O)NCc1ccc2c(c1)OCO2 T2Y n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide +CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O T2Z [(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate +c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O T3 3,5,3'triiodothyronine +CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F T30 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O T31 thymidine 5'-monothiophosphate +C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C T32 6'-alpha-methyl carbocyclic thymidine 5'-monophosphate +c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O T33 3,3'-deiodo-thyroxine +Cc1ccc(cc1NCc2ccccc2)C(=O)NO T34 4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide +CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC T35 2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid +CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T36 split linkage thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N T37 3'-amino-2'deoxythymidine 5'-monophosphate +CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O T38 2'-o-ethoxymethylene thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC T39 2'-o-methoxyethylene thymidine 5'-monophosphate +C(CNC(CO)(CO)CO)CS(=O)(=O)O T3A n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid +CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4 T3B 2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N T3C 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O T3D (~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N T3E 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide +C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3F (3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F T3G 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C T3H (2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide +CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F T3J 1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one +C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC T3K 3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one +COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N T3M 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid +CC(=O)Nc1ccc(cc1)OCC(=O)O T3N 2-(4-acetamidophenoxy)ethanoic acid +CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O T3O 4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O T3P thymidine-3'-phosphate +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O T3Q [(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O T3S 5'-deoxy-5'-piperidin-1-ylthymidine +c1ccnc(c1)CNCc2ccc3c(c2)OCO3 T3T 1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F T3V 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(ccc1c2cn3c(n2)CC=NC3=O)I T3W 2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one +c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O T3Y 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid +Cc1cccc(n1)C(=O)N[C@H](C)C2CC2 T3Z (r)-n-(1-cyclopropylethyl)-6-methylpicolinamide +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4 T40 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC T41 1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate +B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O T42 morpholino-diphenylalanine-methoxypropylboronic acid +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N T44 3,5,3',5'-tetraiodo-l-thyronine +COC(=O)c1cn[nH]n1 T45 methyl 2h-1,2,3-triazole-4-carboxylate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O T46 dtdp-4-keto-6-deoxyglucose +CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl T47 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O T48 6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O T49 s4'-2'deoxythymidine 5'-monophosphate +c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O T4A 3,3',5,5'-tetraiodothyroacetic acid +CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5 T4B ((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N T4D 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile +c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O T4E 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol +C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T4F (2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid +Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3 T4G 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine +c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O T4H 3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide +CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2 T4J n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T4K (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +C[C@@H](c1cccc2c1cccc2)NC(=O)C T4M n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide +COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2 T4N ~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O T4P 3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS T4Q 2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide +CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T4S 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one +CCCCCCCCCCCCCCSCC(=O)O T4T 2-tetradecylsulfanylethanoic acid +CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3 T4V 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one +c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS T4W 2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide +Cc1ccccc1CN2CCCN(CC2)C(=O)C T4Y 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one +c1cc(ccc1SCC(=O)NCCCS)Cl T4Z 2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide +Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F T50 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T51 n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+] T52 n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide +CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-] T53 n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide +c1cscc1[C@@H]2CCC[C@@H]2C(=O)N T54 (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide +CC(C)CCCCCCC(=O)O T55 8-methylnonanoic acid +c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO T56 (e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide +c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F T57 n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6 T58 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O T5A p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O T5B 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione +C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C T5C 2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium +c1ccnc(c1)C2(CCCC2)CO T5D [1-(pyridin-2-yl)cyclopentyl]methanol +CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C T5E 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone +C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O T5F (2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid +c1cc(ccc1S(=O)(=O)N)Br T5G 4-bromobenzene-1-sulfonamide +COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O T5H 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione +Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C T5J 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O T5K [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate +CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2 T5M 2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol +CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br T5N 2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5O 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate) +C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O T5P 3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F T5Q 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O T5S 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate +CC(C)(C(=O)NCCS)Oc1ccc(cc1)F T5T 2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1c(cncn1)N T5V pyrimidin-5-amine +CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl T5W 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T5X 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol +c1ccnc(c1)O T5Y pyridin-2-ol +CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br T5Z 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide +c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO T61 3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N T62 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol +CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O T64 (6-4)photoproduct +CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O T65 2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O T66 2-aminoethyllysine-carbonylmethylene-thymine +CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3 T67 1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one +c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O T68 n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine +C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O T6A n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate +c1c(cc(c(c1Cl)O)Cl)Cl T6C 2,4,6-trichlorophenol +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O T6D alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside +c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F T6E 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O T6F 2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol +CC(C)(C(=O)NCCS)Oc1ccccc1 T6H 2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide +CS(=O)(=O)Cc1[nH]c2ccccc2n1 T6J 2-[(methylsulfonyl)methyl]-1h-benzimidazole +C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O T6K (2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl T6M 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one +Cc1ccc(cc1)OC(C)(C)C(=O)NCCS T6N 2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O T6P trehalose-6-phosphate +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N T6Q 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O T6S alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside +C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O T6T alpha-d-tagatopyranose +CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2 T6V n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide +CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O T6W 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide +CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl T6Y 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +CN1c2ccccc2C(=CC1=O)CP(=O)(O)O T6Z [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid +Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C T71 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F T72 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid +C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O T73 (1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate +Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C T74 n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine +CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C T75 tak-715 +c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4 T76 (6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone +CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5 T77 6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(=O)Nc1nc2c(cccc2s1)OC T7A n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide +CC(=O)N1CCC(CC1)NC(=O)c2ccccc2 T7D n-(1-acetylpiperidin-4-yl)benzamide +CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O T7G 1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide +Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C T7J n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide +c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O T7K neutral yb(iii)-caged complex +CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC T7M (2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O T7O 3-[3-(acetyloxymethyl)phenyl]benzoic acid +CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2 T7P n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide +CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 T7S 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one +C[C@H](c1cccc(c1)Cl)NC(=O)C T7V n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide +CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O T7W (r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC T7X phosphatidylinositol +CC(=O)Nc1cccc(c1)N2CCCC2=O T7Y n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide +Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N T7Z 4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile +CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC T80 methylpenta(oxyethyl) heptadecanoate +CC(=O)N1CCN(CC1)Cc2ccc(s2)Br T81 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O T82 (s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium +CC(=O)N1CCN(CC1)Cc2ccsc2 T84 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one +COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO T86 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide +[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N T87 [(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester +CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O T88 n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3 T8A 1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one +COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC T8B thermorubin +CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl T8D 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2 T8G (2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid +CC(=O)N1CCN(CC1)C(=O)c2cccs2 T8J 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S T8L thio-phosohothreonine +CC(=O)N1CCN(CC1)Cc2cccs2 T8M 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one +COC(=O)C/C(=C\C(=O)O)/C(=O)O T8N (2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid +CC(=O)N1CCN(CC1)c2ccc(cc2)OC T8P 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one +CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C T8S 1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N T8T 2'-deoxyguanosine-5'-o-(1-thiotriphosphate) +CC(=O)Nc1cccnc1Cl T8V n-(2-chloropyridin-3-yl)acetamide +c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-] T8W 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate +CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O T8X 2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside +CC(=O)N1CCN(CC1)C(=O)C T8Y 1,1'-(piperazine-1,4-diyl)di(ethan-1-one) +Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5 T8Z 2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole +Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C T90 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone +CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 T91 n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl T92 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate +CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O T93 [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid +CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O T94 1-(3,4,5-trihydroxyphenyl)nonan-1-one +CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C T95 n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide +CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O T97 n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide +CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C T98 5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N T99 adenosine-5'-sp-alpha-thio-triphosphate +Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C T9A (5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one +COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2 T9B (2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide +c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F T9D 5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one +C[C@H]([C@@H](C(=O)O)N)[SeH] T9E selenothreonine +CC[C@H](c1ccccc1O)N T9G 2-[(1r)-1-aminopropyl]phenol +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6 T9H 2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide +CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr T9J nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide +COC(=O)COc1ccc(cc1)C#N T9K methyl 2-(4-cyanophenoxy)ethanoate +C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O T9M n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N T9N 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile +CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C T9P n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide +COCC(=O)NCc1ccccc1 T9Q n-benzyl-2-methoxyacetamide +CCOC(=O)N1Cc2ccncc2C1 T9S ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate +c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3 T9T triphenylstannanyl +CC(=O)Nc1ccc(cc1)OC T9V n-(4-methoxyphenyl)acetamide +c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] T9W 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate +CCOC(=O)c1cn[nH]c1C(F)(F)F T9Y ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate +c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3 T9Z 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol +[Ta] TA0 tantalum +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C TA1 taxol +c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 (2r,3s)-3-amino-3-phenylpropane-1,2-diol +C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O TA3 (4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one +CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN TA4 (s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid +c1c(n[nH]n1)CO TA5 2h-1,2,3-triazol-4-ylmethanol +C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O TA6 6-o-phosphono-beta-d-tagatofuranose +COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F TA7 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione +C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O TA8 polyacrylic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O TA9 9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide +c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F TAA [4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester +CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl TAB acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester +C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O TAC tetracycline +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N TAD beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide +CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O TAE n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F TAF 2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O TAG d-tagatose +c1ccc(cc1)COc2ccccc2C(=O)NN TAH 2-(benzyloxy)benzohydrazide +C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O TAJ taccalonolide aj +c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5 TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine +Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O TAL 9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine +C(CO)C(CCO)(CCO)N TAM tris(hydroxyethyl)aminomethane +CC(C)(C)C#N TAN 2,2-dimethylpropanenitrile +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C TAO troleandomycin +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N TAP 7-thionicotinamide-adenine-dinucleotide phosphate +c1cc2c(cc1N)c(nc(n2)N)N TAQ 2,4,6-triaminoquinazoline +[C@H]([C@@H](C(=O)O)O)(C(=O)O)O TAR d(-)-tartaric acid +O[As](O)O TAS trihydroxyarsenite(iii) +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N TAT adenosine-5'-rp-alpha-thio-triphosphate +C(CS(=O)(=O)O)N TAU 2-aminoethanesulfonic acid +CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4 TAV n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N TAW futibatinib +CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3 TAX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium +CC(C)(C)C(=O)N TAY 2,2-dimethylpropanamide +C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 TAZ tazobactam +[Tb+3] TB terbium(iii) ion +CC(C)(C)[N+]#[C-] TB0 tert-butyl isocyanide +c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O TB1 (3s)-3-(benzyloxy)-l-aspartic acid +CC(C)(C)c1ccc(cc1)CC=O TB2 (4-tert-butylphenyl)acetaldehyde +c1ccn(c1)c2ccc(cc2)N3CCOCC3 TB5 4-(4-pyrrol-1-ylphenyl)morpholine +C[C@H](CP(=O)(O)O)O TB6 [(2r)-2-hydroxypropyl]phosphonic acid +CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2 TB7 tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate +c1ccc(c(c1)/C=C/C(=O)NO)Cl TB8 (~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TB9 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +CCCC[N+](CCCC)(CCCC)CCCC TBA tetrabutylammonium ion +CC(C)(C)NC(=O)O TBB tert-butylcarbamic acid +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O TBC (9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene +[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O TBD 2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp) +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O TBE tazobactam intermediate +CC(C)(C)OC=O TBF tert-butyl formate +CC(C)(C)[C@@H](C(=O)O)N TBG 3-methyl-l-valine +CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O TBH 5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O TBI tazobactam trans-enamine intermediate +C1CCC(C1)NC(=O)NC[C@H]2CCCO2 TBJ n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5 TBK ~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide +C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC TBL n-[(4-methoxyphenyl)sulfonyl]-d-alanine +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TBM 4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O TBN '2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S TBO 5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1c(cc(c(c1Br)O)Br)Br TBP 2,4,6-tribromophenol +CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBQ (3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6 TBR hexatantalum dodecabromide +c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 TBS 4,5,6,7-tetrabromobenzotriazole +c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O TBT 8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol +CC(C)(C)O TBU tertiary-butyl alcohol +Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O TBV 3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid +CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O TBX (3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol +CCCC[Sn](CCCC)CCCC TBY tributylstannanyl +COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+] TBZ 2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole +C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O TC 4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one +c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O TC0 4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol +c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O TC1 3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine +c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O TC2 n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide +CCO[P@@](=O)(NC)O TC3 ethyl hydrogen methylamidophosphate +CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC TC4 butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group +CCCN[P@](=O)(O)OCC TC5 ethyl hydrogen propylamidophosphate +CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O TC6 (2e)-hexenoyl-coa +c1c(c(cc(c1Cl)Cl)Cl)O TC7 2,4,5-trichlorophenol +CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F TC8 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one +C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TC9 d-tubocurarine +c1ccc(cc1)\C=C\C(=O)O TCA phenylethylenecarboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O TCB thiocellobiose +c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O TCC 2-(2,4-dichloro-phenylamino)-phenol +c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl TCD 3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine +C(CP(CCC(=O)O)CCC(=O)O)C(=O)O TCE 3,3',3''-phosphanetriyltripropanoic acid +c1cc(ccc1CCC(=O)N)Br TCF 3-(4-bromophenyl)propanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O TCG 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C TCH taurocholic acid +CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O TCI (6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol +CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O TCJ [(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate +Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl TCK n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide +c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl TCL triclosan +CC1([C@@H]2CC[C@]1(C(=S)C2)C)C TCM thiocamphor +C(#N)[Ni-2](C#N)(C#N)C#N TCN tetracyanonickelate ion +CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1 TCO tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O TCP 5'-methylthymidine +c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N TCQ (1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium +c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O TCR cyclomethyltryptophan +c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O TCT 6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol +CCCCCCc1ccc(c(c1)O)Oc2ccccc2C TCU 5-hexyl-2-(2-methylphenoxy)phenol +C(=C(Cl)Cl)Cl TCV 1,1,2-trichloroethene +Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] TCW tolcapone +CCNP(=O)(O)O TCX ethylphosphoramidic acid +c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N TCY (2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate +c1c(cc(cc1Cl)Cl)Cl TCZ 1,3,5-trichloro-benzene +c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O TD1 o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O TD2 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside +C(CCO)CN(C(=O)COP(=O)(O)O)O TD3 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O TD4 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD5 (4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD6 (4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid +Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C TD7 (4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD8 (5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TD9 (5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate +CCCCCCCCCCCCC(=O)O TDA n-tridecanoic acid +B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O TDB 6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol +Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O TDC 5a,6-anhydrotetracycline +CC(C)(C)[C@H](C(=O)O)N TDD (2r)-2-amino-3,3-dimethyl-butanoic acid +CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O TDE (e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide +c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F TDF 4-(trifluoromethyl)-d-phenylalanine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O TDG thiodigalactoside +c1cc(ccc1c2cnnn2c3ccc(cc3)O)O TDH 4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol +CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N TDI (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol +C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12 TDJ [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O TDK 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O TDL 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C TDM 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate +CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O TDN 2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate +C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O TDO dtdp-4-keto-l-rhamnose +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-] TDP thiamin diphosphate +CC1=CNC(=O)NC1=O TDR thymine +CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C TDS 8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one +c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S TDT 1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct +c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2 TDU 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea +c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F TDV 1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O TDW 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O TDX thymidine-5'-diphospho-beta-d-xylose +C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC TDY 5-(methylamino)thymidine 5'-(dihydrogen phosphate) +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C TDZ (5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione +[TeH2] TE tellurium +CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O TE1 (2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid +CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C TE2 3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide +CCCCNc1ccc(cc1)C(=O)OCCN(C)C TE4 tetracaine +COc1cc(nc(n1)N)c2ccccc2 TE5 4-methoxy-6-phenyl-pyrimidin-2-amine +O[Te](O)(O)(O)(O)O TE6 orthotelluric acid +CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC TE7 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one +C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2 TE8 (2~{r})-2-(4-phenylphenoxy)propanoic acid +CC[NH+](CC)CC TEA triethylammonium ion +C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O TEB (4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O TEC 2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O TED 5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate) +C(=CS)N TEE 2-amino-ethenethiol +c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2 TEF 4-(2h-tetrazol-2-yl)-l-phenylalanine +C(COCCOCC(=O)O)O TEG [2-(2-hydroxyethoxy)ethoxy]acetic acid +c1ccc(cc1)OCC(=O)N2CCNC(=O)C2 TEH 4-(2-phenoxyethanoyl)piperazin-2-one +Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O TEI 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid +C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C TEJ (1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one +CCn1c2ccccc2nc1NC(=O)C TEK ~{n}-(1-ethylbenzimidazol-2-yl)ethanamide +CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C TEL telithromycin +C(C=O)C(CN\C=C\C=O)O TEM n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine +CCOP(=O)(OCC)OCC TEN triethyl phosphate +C(=C(\O)/[O-])\[C@H](C(=O)[O-])O TEO malate like intermediate +CN1c2c([nH]cn2)C(=O)N(C1=O)C TEP theophylline +Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N TEQ 5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine +C(CCNCCCNCCCN)CN TER n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C TES testosterone +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O TET uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O TEU 1-o-alpha-d-glucopyranosyl-d-fructose +CC1=NC(=O)N=C(C1)C(=O)O TEV 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid +[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O] TEW 6-tungstotellurate(vi) +CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO TEX (2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C TEY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol +CC(=O)Nc1ccc2c(c1)nsn2 TEZ n-(2,1,3-benzothiadiazol-5-yl)acetamide +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O TF0 2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose +C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N TF1 4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile +CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O TF2 (n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide +CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN TF3 n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide +C(C(=O)O)(Cl)Cl TF4 dichloro-acetic acid +c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO TF5 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol +c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O TF6 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid +C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O TF7 (3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine +C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O TF8 (2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid +C(=O)(C(F)(F)F)O TFA trifluoroacetic acid +C1C[C@H](OC1)C(=O)O TFB tetrahydrofuran-2-carboxylic acid +CCCCCCCCSCC(=O)C(F)(F)F TFC 1,1,1-trifluoro-3-(octylthio)acetone +Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl TFD n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F TFE 2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O TFF 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine +c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O TFG 2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol +N#N TFH nitrogen of trifluoro-ethylhydrazine +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N TFI 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide +CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O TFJ (1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate +CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2 TFK 3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide +C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O TFL 2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium +CCSC(=Nc1ccc(cc1)C(F)(F)F)N TFM s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea +[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N TFN n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide +C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O TFO [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid +CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F TFP 10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine +c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F TFQ 4-(2,2,2-trifluoroethyl)-l-phenylalanine +C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N TFR (2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid +C(F)(F)(F)S(=O)(=O)O TFS trifluoromethanesulfonic acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O TFT (l)-alpha-threofuranosyl-thymine-3'-monophosphate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O TFU methyl 1-seleno-beta-l-fucopyranoside +Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl TFV n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine +Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C TFX 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C TFY (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol +c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F TFZ n-phenyl-2-(trifluoromethyl)benzamide +c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N TG 2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one +Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O TG0 (2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide +CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O TG1 octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester +c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O TG2 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2 TG3 ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate +CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N TG4 2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide +CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N TG5 2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide +C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O TG6 6-o-phosphono-d-tagatose +c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TG7 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O TG8 [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate +C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O TGA 2-sulfanylethyl beta-d-galactopyranoside +CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S TGB [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O TGC 3-thiaglutaryl-coa +CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O TGD 1-deoxy-d-tagatose +CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC TGE 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one +c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N TGF 2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid +C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N TGG gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O TGH 6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan +CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O TGJ 1-deoxy-l-tagatose +C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O TGK 1-deoxy-beta-l-tagatopyranose +CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC TGL tristearoylglycerol +c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O TGM 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid +C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC TGN 3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N TGP 5'-thio-2'-deoxy-guanosine phosphonic acid +CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O TGQ (2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid +C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O TGR 1-deoxy-alpha-d-xylo-hex-3-ulofuranose +C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O TGS 1-deoxy-d-xylo-hex-3-ulose +CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N TGT tagetitoxin +[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O TGU trigalacturonic acid +c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O TGV 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid +CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl TGW (2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one +Cc1ccc2c(c1)SCC(=O)N2 TGX 7-methyl-2h-1,4-benzothiazin-3(4h)-one +C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O TGY 1-deoxy-alpha-d-tagatopyranose +c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O TGZ (2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol +[Th+4] TH thorium ion +c1cc(c(cc1O)O)S TH0 4-mercaptobenzene-1,3-diol +Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O TH1 (1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C TH2 testosterone hemisuccinate +CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O TH3 trans delta2 palmitenoyl-coenzymea +c1cc(ncc1CN\2CCS/C2=N\C#N)Cl TH4 {(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide +C[C@H]([C@@H](C(=O)O)N)OC(=O)C TH5 o-acetyl-l-threonine +C([C@H]([C@@H](C(=O)O)N)O)O TH6 4-hydroxy-l-threonine +c1cc(c(cc1O)O)SO TH7 2,4-dihydroxybenzenesulfenic acid +CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O TH8 thiamphenicol +CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O TH9 (2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid +c1ccc2c(c1)c(c3c(n2)CCCC3)N THA tacrine +C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O THB tetrahydrobiopterin +C[C@H]([C@@H](C(=O)O)NC(=O)C)O THC n-methylcarbonylthreonine +Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C THD 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate +C([C@H]([C@@H](C(=O)[O-])O)O)O THE threonate ion +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N THF 5-hydroxymethylene-6-hydrofolic acid +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N THG (6s)-5,6,7,8-tetrahydrofolate +CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O THH n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3 THI thiazolo-3-phenylisoindol-1-one +[O-]S(=O)(=O)[S-] THJ thiosulfate +c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F THK 4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N THL n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O THM thymidine +C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2 THN 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid +C[C@H]([C@@H](CO)N)O THO reduced threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O THP thymidine-3',5'-diphosphate +Cc1c(scn1)CCOP(=O)(O)O THQ phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester +C[C@H]([C@@H](C(=O)O)N)O THR threonine +C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 l-threonine c-terminal deprotonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H l-threonine c-terminal protonated fragment +C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 l-threonine-c-terminal protonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)O)N)O THR_LFOH l-threonine free neutral +C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 l-threonine-free neutral/with side chain deprotonated og1 +C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW l-threonine free zwitterion +C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 l-threonine-free zwitterion/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL l-threonine - linking embedded fragment +C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 l-threonine-linking embedded fragment/with side chain deprotonated og1 +C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 l-threonine n-terminal protonated fragment +C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 l-threonine-n-terminal protonated fragment/with side chain deprotonated og1 +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O THS thymidine-5'-(dithio)phosphate +CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C THT trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester +C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O THU tetrahydrodeoxyuridine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O THV c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O THW c2-1-hydroxyphenyl-thiamin diphosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O THX phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester +CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O THY c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate +[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N THZ 1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine +CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S TI1 [2(r,s)-2-sulfanylheptanoyl]-phe-ala +c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S TI2 (2-sulfanyl-3-phenylpropanoyl)-phe-tyr +c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S TI3 [(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline) +c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4 TI4 (2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane +Cc1ccccc1c2cccc(c2)C(=O)O TI7 3-(2-methylphenyl)benzoic acid +C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O TI8 3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate +c1cc(cnc1)C#C[C@@H]2CCCN2 TI9 3-[(2s)-pyrrolidin-2-ylethynyl]pyridine +C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O TIA 2-(1,5-dideoxyribose)-4-amido-thiazole +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C TIB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl TIC ticlopidine +c1cc(ccc1c2nnc(s2)N)C(=O)O TID 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid +[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N TIF n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN TIG n-(2-aminoethyl)-l-tryptophan +c1cc(sc1)C[C@@H](C(=O)O)N TIH beta(2-thienyl)alanine +CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C TII (5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane +c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O TIL [2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii) +CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O TIM (2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol +CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O TIN 2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid +c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O TIO (2-mercaptomethyl-3-phenyl-propionyl)-glycine +CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F TIQ ticagrelor +C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O TIR tirandamycin e +CC(O)(O)OC[C@@H](C(=O)O)N TIS o-(1,1-dihydroxyethyl)-l-serine +CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O TIT n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide +C(=O)(N)NC(=O)NC(=O)N TIU tricarbonodiimidic diamide +c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5 TIV (3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione +c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O TIY 2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one +c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N TIZ (1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol +CC(C)C1=NOC(=O)N1 TJ1 3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one +CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O TJ2 3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C TJ3 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one +CC1=C(NC(=O)N=C1C)C(=O)O TJ4 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O TJ5 (2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid +CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C TJ7 (2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid +c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O TJB 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde +COC(=O)C1=NC(=O)Nc2c1cccc2 TJD methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate +C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O TJE (2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N TJF 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O TJG 7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide +c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl TJH 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione +C1=C(NC(=O)N=C1)C(=O)O TJJ 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid +c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O TJK 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde +Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N TJM 5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide +COC(=O)C1=CC=NC(=O)N1 TJP methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate +C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O TJS 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid +c1cc2c(cc1C(=S)N)OCO2 TJV 1,3-benzodioxole-5-carbothioamide +CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TJW 5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide +c1ccc2c(c1)C(=NC(=O)N2)C(=O)O TJY 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6 TJZ ~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide +CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5 TK1 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione +Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN TK2 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine +C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TK3 (1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O TK4 2-acetylamino-napthalene-1,5-disulfonic acid +CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5 TK5 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N TK7 diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O TK8 d-xylonic acid +CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O TK9 (2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid +C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKA (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N TKB 5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide +C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TKD (1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N TKE 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea +CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C TKG 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone +c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O TKH [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol +c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F TKJ 4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione +c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br TKK 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N TKL (2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid +COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4 TKN methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl TKP 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N TKQ 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea +CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl TKS 2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4 TKT (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl TKV n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide +C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O TKW 5-hydroxycytidine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC TKY 14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O TKZ (((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid +[Tl+] TL thallium (i) ion +c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N TL1 2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N TL2 2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N TL3 2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N TL4 2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol +C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C TL5 (5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one +CC1=C([C@@](SC1=O)(C)\C=C\C=C)O TL6 (5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one +C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC TL7 [5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate +COc1cc(ccc1C=O)n2ccnc2c3ccccc3 TL8 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +[C@@H]([C@H](C(=O)O)O)(C(=O)O)O TLA l(+)-tartaric acid +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O TLB 2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O TLC 2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate +Cc1ccc(c(c1)S)S TLD 4-methylbenzene-1,2-dithiol +CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLE (5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +Cc1c(cccc1Cl)Nc2ccccc2C(=O)O TLF 2-[(3-chloro-2-methylphenyl)amino]benzoic acid +C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C TLG (5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one +C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C TLH (5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one +CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O TLJ (5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one +COc1cc(ccc1n2ccnc2c3ccccc3)C=O TLK 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde +CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TLL n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid +CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O TLM thiolactomycin +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O TLN [(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O TLO 5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine +Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O TLP 3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid +c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O TLQ 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde +CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C TLS 4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid +Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O TLT tolmetin +c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N TLV (2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid +C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O TLW (2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid +CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N TLX n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine +CC(=S)NCCCC[C@@H](C(=O)O)N TLY (2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid +C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O TLZ d-altritol +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N TM1 2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O TM2 5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate) +Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO TM3 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol +CC1=C(C(=S)C=CO1)O TM4 3-hydroxy-2-methyl-4h-pyran-4-thione +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O TM5 thio-maltopentaose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O TM6 thio-maltohexaose +CC1=CC(=S)C(=CO1)O TM7 5-hydroxy-2-methyl-4h-pyran-4-thione +c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 TM8 nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide +[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N TM9 (2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol +C[N+](C)(C)C TMA tetramethylammonium ion +C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O TMB n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O TMC 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione +CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O TMD (6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine +CCC TME propane +c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N TMF 5,10-methylene-6-hydrofolic acid +c1ccc2c(c1)[nH]c(n2)c3cscn3 TMG 2-(1,3-thiazol-4-yl)-1h-benzimidazole +CC1=CC[C@@H]2C[C@H]1C2(C)C TMH (+)-alpha-pinene +c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4 TMI 1-[phenyl-(4-phenylphenyl)-methyl]imidazole +c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl TMJ n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide +[CH3].[CH3].[CH3] TML methyl part of n-trimethyllysine +c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O TMM 1,3,5-benzenetricarboxylic acid +C(C(CO)(CO)N)O TMN tris(hydroxymethyl)aminomethane +C[N+](C)(C)[O-] TMO trimethylamine oxide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O TMP thymidine-5'-phosphate +Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC TMQ trimetrexate +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC TMR 2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose +COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO TMS n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide +Cc1csc([n+]1C)C TMT 2,3,4-trimethyl-1,3-thiazole +COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] TMU n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O TMV thiamine-phosphovanadate +C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O TMX 2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose +CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC TMY ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate +Cc1c(sc[n+]1C)C TMZ 3,4,5-trimethyl-1,3-thiazole +c1cc2c(c(c1)O)CCCC2 TN1 5,6,7,8-tetrahydronaphthalen-1-ol +c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl TN2 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol +CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl TN3 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide +CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C TN4 (1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate +c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl TN5 2-(4-amino-2-chlorophenoxy)-5-chlorophenol +CCN(CC)P(=O)(O)O TN6 diethylphosphoramidic acid +CCN[P@](=O)(O)OCC TN7 ethyl hydrogen ethylamidophosphate +c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N TN8 ~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid +C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N TNA n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid +c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] TNB s-(2,3,6-trinitrophenyl)cysteine +CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O TNC 4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide +COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O TND n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine +CN1[C@H]2CC[C@@H]1CC(=O)C2 TNE 8-methyl-8-azabicyclo[3,2,1]octan-3-one +c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] TNF picric acid +C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] TNG propane-1,2,3-triyl trinitrate +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4 TNH n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide +Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN TNJ 7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one +CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3 TNK 6-benzyl-1-benzyloxymethyl-5-isopropyl uracil +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] TNL 2,4,6-trinitrotoluene +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O TNM [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid +C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O TNN (1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione +Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C TNP 3,5,6,8-tetramethyl-n-methyl phenanthrolinium +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O TNQ 6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O TNR o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine +CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-] TNS n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid +c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N TNT 1,3-bis(amidinophenoxy)propane +C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O TNV [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate +Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl TNW 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one +CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO TNX 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol +C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C TNY (2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name) +COc1nc2ccc(cc2c(n1)c3ccccc3)Cl TNZ 6-chloranyl-2-methoxy-4-phenyl-quinazoline +c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N TO1 4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O TO2 (1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol +c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F TO3 n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide +CC(C)O[P@](=O)(CCCCCCCCCCC=C)F TO4 propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3 TO5 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-] TO7 (4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl TO8 7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O TOA 3-ammonio-3-deoxy-alpha-d-glucopyranose +C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+] TOB 1,3-diamino-5,6-dihydroxycyclohexane +C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+] TOC 2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose +CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O TOD (2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid +COCCOCCOCCO TOE 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl +CN1C2=NC(=O)N(C(=O)C2=NC=N1)C TOF 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O TOG 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid +c1ccc(c(c1)C=CC(=O)C(=O)O)O TOH (3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid +[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C TOI (1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid +c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-] TOJ (4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone +C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O TOK (3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol +CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC TOL tolrestat +COc1ccccc1C=CC(=O)C(=O)O TOM 4-(2-methoxyphenyl)-2-oxobut-3-enoic acid +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO TON 2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol +COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N TOP trimethoprim +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O TOQ 6,7-dihydroxy-l-tryptophan +CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C TOR [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate +Cc1ccc(cc1)[S@@](=O)O TOS p-sulfinotoluene +CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8 TOT 1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium +C(=S)(N)N TOU thiourea +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O TOV n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO TOW 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one +c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N TOX 1-hydroperoxy-l-tryptophan +C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N TOY tobramycin +c1c(nc(o1)c2csc(n2)CN)C(=O)O TOZ 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid +CN(C)CCC=C1c2ccccc2CCc3c1cccc3 TP0 amitriptyline +CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O TP1 2-(methylamino)-ethylglycine-carbonylmethylene-thymine +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS TP2 n-[tosyl-d-prolinyl]amino-ethanethiol +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TP3 4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O TP4 n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid +[H]/N=C(\c1ccsc1)/N TP5 thiophene-3-carboximidamide +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O TP6 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O TP7 coenzyme b +[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C TP8 5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium +Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C TP9 (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate +c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA trans-2-phenylcyclopropylamine +Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C TPB 4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O TPC 5'-thio-2'-deoxy-cytosine phosphonic acid +c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N TPD n-(2-thienylmethyl)-2,5-thiophenedisulfonamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C TPE 3'-o-acetylthymidine-(5' diphosphate phenyl ester) +c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O TPF 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol +CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O TPG 2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine +c1ccc(cc1)C[C@@H](C(O)O)N TPH 2-amino-3-phenyl-propane-1,1-diol group +c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N TPI 4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid +CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O TPJ (5r)-5-tert-butyl-l-proline +C1C[C@H](NC1)[C@H](CO)O TPK (1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N TPL tryptophanol +c1cc(ccc1CNC2=[NH+]CCCC2)N TPM 2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium +CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O TPN 2-aminoethylglycine-carbonylmethylene-thymine +C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O TPO phosphothreonine +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPP thiamine diphosphate +C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N TPQ 5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone +Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O TPR tosyl-d-proline +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O TPS thiamin phosphate +C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl TPT 2,2':6',2''-terpyridine platinum(ii) chloride +Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O TPU 2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate +CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 TPV n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide +Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C TPW 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O TPX (2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid +CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O TPY (2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O TPZ o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine +c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO TQ1 5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one +Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C TQ2 (2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid +c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ3 5-phenylsulfanyl-2,4-quinazolinediamine +Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ4 5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine +CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N TQ5 5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine +c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N TQ6 5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine +CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br TQ7 5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide +Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl TQ8 n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide +C(CC(=O)O)C(=O)CCl TQ9 5-chloro-4-oxopentanoic acid +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O TQA n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide +CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3 TQB 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one +CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC TQD (2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine +CCOC1=NC(=NC(=O)N1)N(C)C TQE 4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one +c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O TQG n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid +Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3 TQH ~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl TQI n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan +c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O TQJ n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide +Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 TQK 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde +c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O TQL 4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol +c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O TQM {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid +CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O TQN [(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate +Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O TQP (2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate +[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N TQQ (s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid +Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C TQS (4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol +C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N TQT 6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine +c1cc2c(cc1N)c(ccn2)n3cncn3 TQU 4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine +Cc1ccccc1OP(=O)(O)OCc2ccccc2O TQV o-cresyl-saligenin phosphate +COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O TQW 4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C TQX (2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O TQY 6-o-octanoyl-alpha-d-glucopyranose +C([C@@H](C(=O)O)N)SSSSS TQZ 2-amino-3-pentasulfanylpropan-1-ol +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O TR0 (4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2 TR1 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester +c1cnc2ccsc2c1O TR2 thieno[3,2-b]pyridin-7-ol +CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4 TR3 n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide +CSc1c(c(n(n1)c2ccccc2)N)C#N TR4 5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N TR5 5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O TR6 trovafloxacin +COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N TR7 methyl l-tryptophanate +[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O TR8 (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) +CC1=C(C(=O)C[C@@H](C1=O)O)O TR9 (5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione +C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-] TRA aconitate ion +C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C TRB 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione +C(C(CC(=O)O)C(=O)O)C(=O)O TRC tricarballylic acid +CCCCCCCCCCCCC TRD tridecane +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O TRE trehalose +c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N TRF n1-formyl-tryptophan +CN(C)CCCC[C@@H](C(=O)O)N TRG l-(n,n dimethyl)lysine +C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O TRH 2'-deoxy-thymidine-beta-l-rhamnose +c1[nH]cnn1 TRI 1,2,4-triazole +c1cc(cc(c1)CN)CN TRJ meta-di(aminomethyl)benzene +C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C TRK tirandamycin d +CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C TRL {1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester +c1ccc2c(c1)[nH]c(n2)C(=O)O TRM 1h-benoximidazole-2-carboxylic acid +c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N TRN nz2-tryptophan +c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N TRO 2-hydroxy-tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP tryptophan +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2 l-tryptophan c-terminal deprotonated fragment +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H l-tryptophan c-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-] TRP_LEO2H_DHE1 l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-] TRP_LEO2_DHE1 l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N TRP_LFOH l-tryptophan free neutral +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N TRP_LFOH_DHE1 l-tryptophan-free neutral/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW l-tryptophan free zwitterion +c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+] TRP_LFZW_DHE1 l-tryptophan-free zwitterion/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-] TRP_LL l-tryptophan - linking embedded fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-] TRP_LL_DHE1 l-tryptophan-linking embedded fragment/with side chain deprotonated ne1 +c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3 l-tryptophan n-terminal protonated fragment +c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+] TRP_LSN3_DHE1 l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1 +c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N TRQ 2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid +COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N TRR 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium +C(C(CO)(CO)[NH3+])O TRS 2-amino-2-hydroxymethyl-propane-1,3-diol +CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC TRT fragment of triton x-100 +c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl TRU 6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide +CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O TRV 6-o-octanoyl-beta-d-fructofuranose +c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N TRW trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol +c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N TRX 6-hydroxytryptophan +c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N TRY (2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid +Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C TRZ trazeolide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O TS thymidine-5'-thiophosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O TS0 4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O TS1 4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate +C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N TS2 2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid +C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N TS3 bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine +C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN TS4 glutathionylspermidine disulfide +C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN TS5 glutathionylspermidine +OP(=O)(O)S TS6 monothiophosphate +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C TS8 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose +C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O TS9 (2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSA 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O TSB 5'-o-(n-(l-threonyl)-sulfamoyl)adenosine +c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O TSC (1s)-1-amino-2-(1h-indol-3-yl)ethanol +[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C TSD 3-trimethylsilyl-propionate-2,2,3,3,-d4 +C(C(=O)O)P(=S)(O)O TSE thiophosphonoacetic acid +C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O TSF 3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate +[H]/N=C\Cc1c[nH]c2c1cccc2 TSH 2-(1h-indol-3-yl)ethanimine +C[C@H]([C@](C)(CN)O)O TSI (2s,3r)-1-amino-2-methylbutane-2,3-diol +Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O TSJ 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid +Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC TSK 3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione +CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O TSL trans-enamine intermediate of sulbactam +CC(C)(C)S(=O)(=O)O TSM 2-methylpropane-2-sulfonic acid +C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C TSN trichostatin a +C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O TSO (1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S TSP 3'-thio-thymidine-5'-phosphate +C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N TSQ 4-(trimethylsilyl)-l-phenylalanine +c1ccc2c(c1)c(c[nH]2)CC(=O)N TSR 2-(1h-indol-3-yl)acetamide +c1ccc2c(c1)c(c[nH]2)CCN TSS 2-(1h-indol-3-yl)ethanamine +Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O TST 4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid +Cc1ccc(cc1)S(=O)(=O)O TSU para-toluene sulfonate +CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6 TSV (2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C TSX n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide +C([C@@H](C(=O)O)N)SSS TSY (2s)-2-amino-3-trisulfanylpropanoic acid +C(=S)(N)NN TSZ hydrazinecarbothioamide +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C TT [(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate +c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4 TT1 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole +C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C TT2 (1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1ccc(cc1)n2c(nc(n2)N)N TT4 1-phenyl-1h-1,2,4-triazole-3,5-diamine +C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O TT7 4-o-phosphono-beta-d-fructofuranose +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O TT8 (2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 TTA tetraphenyl-arsonium +C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C TTB 4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid +CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O TTC (s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione +C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C TTD cis-syn cyclobutane thymine dimer +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O TTE phosphomethyl phosphonic acid deoxythymidylate ester +c1cc(sc1)C(=O)CC(=O)C(F)(F)F TTF 4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione +CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O TTG 2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid +C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C TTH 2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene +C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O TTI 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) +Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C TTJ (2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide +c1ccc2c(c1)CC[C@@H]([C@H]2O)N TTL trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol +CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C TTM n3-ethyl-thymidine-5'-monophosphate +C(C(=O)[O-])(C(=O)[O-])O TTN tartronate +c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O TTO (3,4-dihydroxy-phenyl)-triphenyl-arsonium +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O TTP thymidine-5'-triphosphate +c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N TTQ 6-amino-7-hydroxy-l-tryptophan +CC(=O)n1c2ccccc2c3c1C(=O)CCC3 TTR 9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one +c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O TTS 3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N TTT 5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide +C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O TTV beta-d-psicofuranose +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O TTW 5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine +C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C TTX tentoxin +c1c(c2c(o1)CCCC2=O)C(=O)O TTY 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O TTZ n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha- d-glucopyranosylamine +c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O TU0 (e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F TU1 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F TU2 [3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone +Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC TU3 [6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone +CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O TU4 3-o-octanoyl-alpha-d-glucopyranose +c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl TU7 (2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone +c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F TU8 (3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione +C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O TUA prednisolone +C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC TUB (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium +c1cc2cnccc2c(c1)OCC(=O)O TUC (isoquinolin-5-yloxy)acetic acid +C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C TUD taurochenodeoxycholic acid +C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N TUE 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine +C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUG 3,4-di-o-sulfo-alpha-d-altropyranose +CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C TUH 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one +c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O TUI 2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid +C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TUJ 1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose +CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N TUK 2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal +C1=CNC(=S)NC1=O TUL 2-thioxo-2,3-dihydropyrimidin-4(1h)-one +CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O TUM tunicamycin +CCN(CC)[P@](=O)(O)OCC TUN ethyl hydrogen diethylamidophosphate +c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N TUO 2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O TUP 3-deoxy-3-fluoro-alpha-d-glucopyranose +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl TUQ 4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O TUR 3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose +CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO TUS (4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one +[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl TUT 5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide +C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C TUV vamorolone +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TUW 6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO TUX 1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O TUY (3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O TUZ 1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O TV1 n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide +c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N TV2 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine +CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F TV4 n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O TV5 (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O TV7 (1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide +CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC TV8 (2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol +CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O TVA n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline +C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O TVB 4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde +c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O TVC 3-naphthalen-2-ylbenzoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O TVD n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine +C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O TVE (2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O TVG propyl beta-d-galactofuranoside +c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO TVH (3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one +CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O TVK (3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O TVM 3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC TVN n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide +C[C@H]1CCc2ccccc2N1C(=O)C TVP (2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline +CS(=O)CCCN=C=S TVQ 1-isothiocyanato-3-methylsulfinyl-propane +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O TVS prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside +Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F TVT 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile +CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC TVU n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide +C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O TVV 3-o-prop-2-yn-1-yl-beta-d-galactopyranose +c1c2c(ncnc2n[nH]1)N TVW 1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O TVY (1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N TVZ 3-(4-aminocarbonylphenyl)benzoic acid +Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N TW2 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl TW5 (r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide +C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O TW7 2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride +c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O TW8 4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde +C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O TWA 2,3,4-tri-o-sulfo-beta-d-altropyranose +Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O TWB [(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O TWD 2,3-di-o-sulfo-alpha-l-glucopyranose +c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N TWE 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S TWG 6-thio-alpha-d-mannopyranose +C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N TWH 4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O TWJ 1-thio-beta-d-talopyranose +Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F TWK 4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1 TWL ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate +CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWM 4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C TWN (3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate +COc1ccc(cc1OC)C(=O)O TWO 3,4-dimethoxybenzoic acid +c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO TWP n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide +CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O TWQ 3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde +c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO TWS n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide +CCCCCCCCCCCCCCCCCCCCCC TWT docosane +CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO TWV 4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide +CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS TWW (2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S TWY 4-thio-beta-d-xylopyranose +c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O TWZ exostwz molecular tweezer +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-] TX1 2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O TX2 5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine +Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl TX3 2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate +C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O TX4 l-threonohydroxamate 4-phosphate +C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C TX5 (1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol +Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C TX6 (6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile +c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-] TX7 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate +C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O TXA threonylcarbamoyladenylate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S TXB 4-deoxy-4-thio-alpha-d-xylopyranose +CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N TXC 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N TXD 1,4,5,6-tetrahydronicotinamide adenine dinucleotide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N TXE [[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate +CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O TXF (z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol +c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5 TXG (3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O TXI (2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide +CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O TXL taxotere +Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O TXM (2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid +CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO TXN (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N TXP 1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate +c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O TXS 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO TXT 4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose +CCCc1cc2c(c(n1)C)C=CC(=O)N2 TXW 5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one +C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O TXY 3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O TXZ o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N TY0 (3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one +CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N TY1 o-tert-butyl-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TY2 3-amino-l-tyrosine +c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TY3 3-hydroxy-l-tyrosine +Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br TY4 4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate +c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N TY5 o-benzyl-l-tyrosine +c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N TY8 2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N TY9 3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine +c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O TYA phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester +c1cc(ccc1C[C@@H](C=O)N)O TYB tyrosinal +c1cc(ccc1C[C@@H](C(=O)N)N)O TYC l-tyrosinamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O TYD thymidine-5'-diphosphate +c1cc(ccc1C[C@@H](CO)N)O TYE 4-[(2s)-2-amino-3-hydroxypropyl]phenol +c1cc(ccc1C[C@@H](C(=O)O)O)O TYF (2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid +Cc1cccc2c1N=C(NC2=O)CSc3ccncc3 TYG 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N TYI 3,5-diiodotyrosine +CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O TYJ 2,5-dihydroxy-n-methyl-l-tyrosine +CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC TYK tylosin +CC(=O)Nc1ccc(cc1)O TYL n-(4-hydroxyphenyl)acetamide (tylenol) +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N TYM tryptophanyl-5'amp +c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N TYN aminobenzofurazan-o-tyrosine +C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO TYO (4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid +c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O TYP cyclo-(l-tyrosine-l-proline) inhibitor +c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N TYQ 3-amino-6-hydroxy-tyrosine +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR tyrosine +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 l-tyrosine c-terminal deprotonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H l-tyrosine c-terminal protonated fragment +c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH l-tyrosine free neutral +c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH l-tyrosine-free neutral/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW l-tyrosine free zwitterion +c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH l-tyrosine-free zwitterion/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL l-tyrosine - linking embedded fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH l-tyrosine-linking embedded fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 l-tyrosine n-terminal protonated fragment +c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh +c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O TYS o-sulfo-l-tyrosine +c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N TYT tyrosine derivative +C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O TYU tetrahydrouridine +C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O TYV alpha-d-tyvelopyranose +c1cc(ccc1C[C@@H](C(O)O)N)O TYW (2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol +c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N TYX s-(2-anilino-2-oxoethyl)-l-cysteine +C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N TYY 3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine +CC(=O)Nc1ccc(cc1)C(=O)O TYZ para acetamido benzoic acid +COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N TZ0 1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one +c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl TZ1 n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide +c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-] TZ2 ~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N TZ4 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium +c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N TZ5 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium +Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O TZ7 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one +CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N TZ8 (2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +C1=CC(C=CC1CC[C@@H](C(=O)O)N)N TZA trans-amiclenomycin +C\C=C(\C1=N[C@H](CS1)C(=O)O)/N TZB (4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid +c1ncn(n1)C(=[NH2+])N TZC 1,2,4-triazole-carboxamidine +Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C TZD 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate +Cc1c(scn1)CCO TZE 2-(4-methyl-thiazol-5-yl)-ethanol +c1cc(ccc1n2cncn2)O TZF 4-(1h-1,2,4-triazol-1-yl)phenol +c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O TZG (s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid +Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O TZH (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate +Cc1ccc(cc1)S(=O)(=O)N2CCOCC2 TZK 4-(4-methylphenyl)sulfonylmorpholine +CC[C@@H](C)c1nccs1 TZL 2-(sec-butyl)thiazole +c1cc(cc(c1)N)Cn2cncn2 TZM 3-(1h-1,2,4-triazol-1-ylmethyl)aniline +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4 TZN [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone +c1c(ncs1)C(=O)O TZO 1,3-thiazole-4-carboxylic acid +Cc1c(scn1)CCOP(=O)(O)O TZP 4-methyl-5-hydroxyethylthiazole phosphate +c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F TZQ 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid +COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC TZS n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide +CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C TZT soblidotin +COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N TZV n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide +c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O TZW 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde +CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F TZY 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine +COP(=O)(OC)OC TZZ trimethyl phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U uridine-5'-monophosphate +CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O U01 3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one +CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O U02 [2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester +CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O U03 4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one +CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O U04 ({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester +CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-] U05 6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one +CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O U06 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid +c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O U07 (2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one +c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N U08 (2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile +c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N U0A 11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide +Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C U0D 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N U0E n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide +COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O U0G 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile +Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C U0H ~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide +CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4 U0J {(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium +Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0K 4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1nnc(s1)CN2CCC=C(C2)F U0M 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine +Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N U0N 4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +Cc1cc(no1)CN(C)C(=O)NC2CC2 U0P n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea +C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N U0Q 4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1cnc(cn1)N2CC[C@@]3(C2)CCOC3 U0S (5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane +Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N U0T 4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile +c1ccc(c(c1)C(=O)NCCc2ccncc2)F U0V 2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide +c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2 U0W 5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid +Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C U0Y 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one +[H]/N=C/1\N2CCCc3c2c(ccc3)S1 U0Z 5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline +[U] U1 uranium atom +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C U10 ubiquinone-10 +C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O U11 methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate +c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F U12 5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F U13 4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O U14 3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid +Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N U15 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate +CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O U16 methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate +CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N U17 methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate +CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O U18 (s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid +[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F U19 5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C U1A 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O U1B 4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde +CC(=O)NNC(=O)c1cc2c(s1)CCCC2 U1D n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide +CN(C)c1cccc2c1c(ccc2)N(C)C U1E ~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine +CC(=O)N1CCN(CC1)C(=O)c2ccco2 U1G 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one +CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+] U1K (s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid +Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C U1M 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one +C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F U1N 4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide +[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U1P 6-[(e)-iminomethyl]uridine 5'-phosphate +c1cc(ncc1F)N U1Q 5-fluoranylpyridin-2-amine +CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U1S 1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4 U1T 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one +Cc1cc(ccc1CS(=O)(=O)N)F U1V 1-(4-fluoro-2-methylphenyl)methanesulfonamide +[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC U1W 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O U1Y methyl 6-thio-beta-d-glucopyranoside +Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C U1Z 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile +CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U20 uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine +CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U21 uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine +CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O U22 uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O U23 uridine-5'-monophosphate-2',3'-cyclic phosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U25 uridine-5'-monophosphate +c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5 U27 2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide +CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O U28 methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate +CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S U2A methyl 2-thio-beta-d-glucopyranoside +CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U2D 6-o-decanoyl-alpha-d-glucopyranose +CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C U2E methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O U2F uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N U2G uridylyl-2'-5'-phospho-guanosine +CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U2J (4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C U2K 1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone +CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O U2L 5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate +C(CC[C@@H](C(=O)O)N)CCS U2M (2s)-2-amino-7-sulfanylheptanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N U2N 2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O U2P phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester +c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-] U2Q 2-[(3-nitro-2-pyridyl)thio]acetic acid +C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U2S 1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN U2T 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide +c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F U2V 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide +C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl U2W 4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one +c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2 U2X o-(cyclohexylmethyl)-l-tyrosine +B(c1ccc(cc1)C(=O)N(C)CC)(O)O U2Y {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid +Cc1cc(nn1c2ccccc2CN)CO U2Z [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN U31 2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate +CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N U32 4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O U33 5-bromo-2'-deoxy uridine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O U34 uridine 5'-monomethylphosphate +CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O U35 (2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid +COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O U36 2'-o-methyoxyethyl-uridine-5'-monophosphate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O U37 uridine 5'-monothiophosphate +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O U3A 5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide +CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC U3D [(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate +CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN U3G (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate +C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O U3H 3'-deoxy-uridine 5'-triphosphate +c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O U3J xanthosine diphosphate +Cc1ccc(o1)CN(C)Cc2ccccc2 U3K ~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine +c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5 U3M 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid +c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F U3N 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O U3P 3'-uridinemonophosphate +c1ccc2c(c1)cccc2CCCCC(=O)O U3Q 1-naphthalenepentanoic acid +C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U3S 1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +C#CCOc1ccccc1CCCCCC(=O)O U3T 6-(2-prop-2-ynoxyphenyl)hexanoic acid +CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3 U3V (2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide +CN1C(=O)N(C(=O)S1)Cc2ccccc2 U3W 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione +c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2 U3X 4-[(cyclohexylmethyl)amino]-l-phenylalanine +CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C U3Y (4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide +CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O U3Z (3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one +C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl U41 3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide +CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O U44 (2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide +CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O U46 (5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid +CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O U48 5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate +c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N U49 (20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile +c1cnc(c(c1C(=O)O)F)C(=O)O U4B 3-fluoranylpyridine-2,4-dicarboxylic acid +[H]/N=C(\N)/NCCCCCCCC U4G n-octylguanidine +COc1ccc(cc1)c2cccc(c2)C(=O)O U4J 3-(4-methoxyphenyl)benzoic acid +c1ccc2c(c1)ccnc2SCC(=O)O U4K 2-isoquinolin-1-ylsulfanylethanoic acid +C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O U4M 1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione +c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F U4N 2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide +C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O U4P 5'-deoxyuridine +c1c(c(cnc1C(=O)O)F)C(=O)O U4Q 5-fluoranylpyridine-2,4-dicarboxylic acid +C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O U4S 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O U4T 4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N U4V 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine +CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F U4W n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N U4Y (2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid +CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2 U51 (5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid +C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C U52 2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC U53 ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate +c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N U55 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide +CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N U57 (2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol +c1ccc2c(c1)c(ncn2)SCCC(=O)O U58 3-(quinazolin-4-ylsulfanyl)propanoic acid +[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N U5A [(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate +c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2 U5B 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid +CNC(=O)c1cc2c(s1)-c3ccccc3CC2 U5E n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O U5F 5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C U5G boceprevir (bound form) +CN1[C@@H](CCC1=O)c2cccnc2 U5H (5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one +CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O U5J [(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury +C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5M 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U5P uridine-5'-monophosphate +C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O U5R 1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione +Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2 U5T (4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one +c1ccc(c(c1)CN)F U5V 1-(2-fluorophenyl)methanamine +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O U5W 1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3 +c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F U5Y (12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide +c1cc(ccc1NNC(=S)N)F U5Z 1-[(4-fluorophenyl)amino]thiourea +c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O U61 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol +c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2 U62 4~{h}-thieno[3,2-c]chromene-2-carboxylic acid +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O U63 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose +C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F U64 6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile +COC(=O)c1cc2c(s1)-c3ccccc3OC2 U65 methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate +c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N U66 (20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile +CC(C)CCCN U67 4-methylpentan-1-amine +CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O U68 (4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate +C[C@H]([C@@H](C(=O)O)NC(=O)O)O U6A n-carboxy-l-threonine +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N U6B 4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F U6D (1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline +Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl U6E 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide +c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl U6G 4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide +COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5 U6H 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide +[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U6J (1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O U6K (2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol +CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U6M 6-methyluridine 5'-(dihydrogen phosphate) +CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6N (2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl U6Q (2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid +c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F U6T 4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F U6V n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O U6Z 1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione +[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O U71 (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C U72 2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine +CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1 U73 n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide +CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O U75 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U77 n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +Cc1ccccc1CCNC(=O)C U78 ~{n}-[2-(2-methylphenyl)ethyl]ethanamide +c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N U7A n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F U7B 2'-deoxy-2'2'-difluorodeoxycytidine +c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2 U7E 5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide +c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 U7G n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide +Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5 U7H 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one +c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3 U7J n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine +C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O U7K (e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C U7P (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one +c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F U7Q ~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine +Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2 U7S 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one +c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O U7T [(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite +Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7V tedizolid +C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3 U7W 2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone +Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO U7Y tedizolid isomer +c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl U7Z 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide +c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br U81 5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one +CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4 U82 3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine +CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N U85 1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium +c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl U87 5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine +c1c(scn1)N(=O)=O U88 5-nitro-1,3-thiazole +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O U89 n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid +c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N U8B (2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N U8D (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid +CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC U8G (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium +CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC U8J n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide +c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O U8K 3-(phenylsulfonylamino)pyridine-2-carboxylic acid +c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N U8M 3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine +c1ccc2c(c1)C(=CNC2=O)O U8N 4-oxidanyl-2~{h}-isoquinolin-1-one +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C U8P tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate +c1cc(ccc1C(F)(F)F)OC2CCNCC2 U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine +c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3 U8T 6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one +CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O U8U 5-methylaminomethyl-2-thiouridine-5'-monophosphate +CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O U8V 6-o-butanoyl-alpha-d-glucopyranose +C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O U8W (2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid +C(/C(=C\OP(=O)(O)O)/O)O U8Z [(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate +Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F U91 1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide +COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O U94 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid +c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F U95 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O U97 2-o-sulfo-beta-l-galactopyranuronic acid +c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F U98 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide +[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O U9A [(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid +c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O U9B (1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC U9D 4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose +CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl U9E 3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O U9G 2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose +c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O U9H 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9J (2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F U9K (1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide +CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O U9M (2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol +CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC U9N [(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate +[C@@H]1([C@H](O1)C(=O)O)C(=O)O U9S (2r,3s)-oxirane-2,3-dicarboxylic acid +CC1CCN(CC1)C(=O)NCCc2ccccc2F U9T ~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide +CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC U9V pentadecyl(tetradecyl)peroxyanhydride +CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl U9W ~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide +CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N U9Y 1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine +CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F U9Z 4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC UA1 n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide +c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O UA2 3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O UA3 uracil arabinose-3'-phosphate +CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC UA4 (2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one +CCc1ccc(cc1)NS(=O)(=O)O UA5 (4-ethylphenyl)sulfamic acid +c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br UA7 brodifacoum +CC1CCN(CC1)C(=O)NC2CCCCCC2 UA8 ~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide +C1=C(NC(=O)NC1=O)CC(=O)O UAA uracil-6-acetic acid +CC1CCN(CC1)C(=O)NCCCCc2ccccc2 UAB 4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide +C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UAD [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate +CC1CCN(CC1)C(=O)NC2CCCCC2 UAE ~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide +C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UAG uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate +Cc1c(cc(cn1)COP(=O)(O)O)O UAH (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O UAJ chlorophacinone +CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2 UAK 4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide +C(=C(/C(=O)O)\N)\NC(=O)N UAL (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid +CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O UAM amicoumacin a +CNC1=Nc2c(ncn2C)C(=O)N1 UAN 9-methyl-2-(methylamino)-1h-purin-6-one +C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O UAP 4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid +CC1CCN(CC1)C(=O)NCc2ccco2 UAQ ~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UAR uracil arabinose-5'-phosphate +c1ccc(cc1)C2C(=O)c3ccccc3C2=O UAS phenindione +CC1CCN(CC1)C(=O)NCc2ccccc2 UAT 4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide +C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O UAV (2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)O UAW ~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide +[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O UAY 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione +CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC UAZ ~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide +CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N UB1 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB2 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine +CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O UB3 n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine +c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N UB4 (2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid +CCCCCNC(=O)N1CCC(CC1)C UB5 4-methyl-~{n}-pentyl-piperidine-1-carboxamide +c1cc(ccc1C(=O)O)C(=O)O UB7 terephthalic acid +CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N UBA (s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione +C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O UBB 2',3'-dideoxy-uridine-5'-monophosphate +c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O UBC (s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O UBD uridine 3',5'-bis(dihydrogen phosphate) +CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N UBE 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid +c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O UBF 3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid +Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O UBG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UBI 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O UBM coenzyme f420-4 +CCCCCCCCNC(=O)N1CCC(CC1)C UBN 4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide +C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N UBP 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine +CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C UBQ 4-methyl-~{n}-undecyl-pyridine-1-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O UBR 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) +CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBS n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine +CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O UBT n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine +CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBU n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide +CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBV n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine +CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBW n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline +CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O UBX n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide +C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBY n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine +CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O UBZ (2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid +Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl UC1 2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide +Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl UC2 n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide +CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C UC3 1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate +CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl UC4 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O UC5 2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6 UC8 ~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide +CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O UC9 4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid +C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O UCA s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate +CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5 UCB 1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium +CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UCC s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O UCD (4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5 ,6-dihydro-4h-pyran-2-carboxylic acid +CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6 UCE ~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide +c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N UCG 3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) +CC(C)OP(=O)(C)O UCJ propan-2-yl hydrogen (s)-methylphosphonate +c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl UCK (2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O UCL 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate) +c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O UCM rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione +C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC UCN 7-hydroxystaurosporine +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O UCP phosphomethyl phosphonic acid deoxyuridylate ester +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2 UCS n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide +CC(C)[C@@H](CNC(=O)N)N UCV 1-[(2~{s})-2-azanyl-3-methyl-butyl]urea +CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N UCW tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate +CC1(CCC[C@@H]1O[P@H](=O)C)C UCY (1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate +CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O UCZ (1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O UD0 (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD1 uridine-diphosphate-n-acetylglucosamine +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD2 uridine-diphosphate-n-acetylgalactosamine +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N UD4 udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose +C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F UD5 5-fluorouridine +CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD6 [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate +C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O UD7 [(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C UD8 n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide +CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O UD9 (2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O UDA 3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine +CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F UDB (s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O UDC 2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose +c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F UDD n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N UDE 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide +CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O UDG (2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O UDH 6-aminohexyl-uridine-c1,5'-diphosphate +C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C UDJ (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one +CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O UDK (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDM uridine-diphosphate-methylene-n-acetyl-glucosamine +CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UDN uridine-diphosphate-methylene-n-acetyl-galactosamine +c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F UDO (s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O UDP uridine-5'-diphosphate +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O UDQ n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide +Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C UDR (e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate +c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O UDS n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine +CCCCCCCCCCOC(=O)S UDT o-decyl hydrogen thiocarbonate +Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C UDV 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] +c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO UDW (s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide +C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O UDX uridine-5'-diphosphate-xylopyranose +c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F UDY 6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O UDZ [(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium +CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O UE1 (4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C UE2 (r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C UE5 (r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide +c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3 UE8 2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one +C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O UEA beta-d-sorbofuranose +c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N UEB (s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2 UED n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O UEE (r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide +Cc1c(c(c(cn1)CO)CO)O UEG 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C UEH (r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide +CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F UEJ n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl UEK n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide +c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F UEN n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UEP 6-ethyluridine 5'-phosphate +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O UEQ 4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3 UET n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide +[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O UEV (1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O UEW n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide +c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N UEY 7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C UEZ (r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol +CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O UF0 o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UF2 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N UF4 4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine +c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N UF7 7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5 UF8 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one +c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N UFA 7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UFB 2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate) +c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N UFD 7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O UFE fe(iii) uroporphyrin +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O UFG uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose +c1cc(c(cc1n2ccnc2)Br)C=O UFH 2-bromanyl-4-imidazol-1-yl-benzaldehyde +c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I UFJ n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O UFK cinnamtannin b1 +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UFM uridine-5'-diphosphate-mannose +c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O UFN modified form of cinnamtannin b1 with sp3 hybridized c5' +CN1CCN(c2c1ccc(c2)CN)C UFO 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O UFP 5-fluoro-2'-deoxyuridine-5'-monophosphate +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O UFQ cytosine 5'-[gamma-thio]triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O UFR 2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate) +C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO UFS n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F UFT 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate) +c1c(cc(c(c1N)N)Br)C(F)(F)F UFV 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine +Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C UFW ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold +B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O UFY n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide +c1ccc(cc1)C[NH3+] UFZ (phenylmethyl)azanium +c1cnccc1n2cnc(c2N)C(=O)N UG1 5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(cc3)CO UG2 [4-(2-phenylimidazol-1-yl)phenyl]methanol +c1cc(cnc1)n2cnc(c2N)C(=O)N UG4 5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide +c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F UG5 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F UG7 n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide +c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2 UG8 4-piperidin-1-ylsulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O UGA uridine-5'-diphosphate-glucuronic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O UGB (2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid +[C@H](C(=O)O)(NC(=O)N)O UGC (2s)-(carbamoylamino)(hydroxy)ethanoic acid +c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3 UGD n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide +c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O UGE 4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O UGF (2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid +c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 UGG 2-(isoquinolin-4-yl)-n-phenylacetamide +C(CN)CNCCS UGH wr-1065 +c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F UGI 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine +c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl UGJ 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile +Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC UGK 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one +c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N UGM 2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C UGN 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine +Cc1ccncc1NC(=O)Cc2cccc(c2)C#N UGP 2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide +Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 UGQ 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline +COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2 UGS n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide +c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3 UGT n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide +c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl UGV 2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide +CC(C)(C)c1ccc(c(c1)C(C)(C)C)O UGW 2,4-di~{tert}-butylphenol +CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 UGX n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide +[C@H](C(=O)O)(N)NC(=O)N UGY (2s)-amino(carbamoylamino)ethanoic acid +COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4 UGZ n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide +c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2 UH1 2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide +Cc1ccc(s1)NC(=O)Nc2cccnc2 UH4 n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea +c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O UH5 3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)Cc2cccc(c2)Cl UH7 2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3 UH8 methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside +Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl UHA (2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide +c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O UHB 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide +CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O UHD 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione +CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C UHF n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide +C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O UHG (2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid +C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C UHH (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide +[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1 UHJ n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide +c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N UHM 2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide +c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3 UHN 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde +CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHQ 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C UHS n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide +CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O UHT ~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide +CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UHV n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UHW 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde +COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N UHX 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C UHY n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide +CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O UHZ (5-methanoyl-2-nitro-phenyl) methanesulfonate +c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN UI1 6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide +c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N UI2 8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide +[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N UI3 7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide +C[C@H](CN)NC(=O)O UIA [(2~{r})-1-azanylpropan-2-yl]carbamic acid +CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5 UIB (1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO UIC (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate +c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N UIH 6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +CC(C)C[C@H](CN)NC(=O)O UIL [(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid +CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O UIN 5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one +CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N UIP (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N UIQ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N UIR (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine +[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N UIZ (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine +CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C UJ1 n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O UJ2 2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC UJ4 n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC UJ5 2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid +c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4 UJ6 5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid +C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6 UJ7 (2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O UJ8 (~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol +c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl UJA (2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide +C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C UJB (2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one +C1CSC(S1)C(=O)O UJD 1,3-dithiolane-2-carboxylic acid +C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 UJE 5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7 UJG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) +CON1C=CC(=O)c2c1cccc2 UJH 1-methoxy-4-oxoquinoline +Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7 UJJ [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate +Cc1ccccc1n2cc(nn2)C(=O)O UJK 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid +C1C[C@H](SC1)C(=O)O UJM (2s)-thiolane-2-carboxylic acid +c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O UJN [oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid +C1C[C@@H](SC1)C(=O)O UJP (2r)-thiolane-2-carboxylic acid +c1ccc2c(c1)C(c3ccccc3O2)C(=O)O UJQ 9~{h}-xanthene-9-carboxylic acid +[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N UJW 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide +c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F UJZ 4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole +CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C UK1 3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one +B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O UK2 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron +c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O UK4 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid +c1ccc2c(c1)C(=O)C=CN2O UK5 1-oxidanylquinolin-4-one +c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO UK7 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F UK8 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O UKA 6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F UKB 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid +CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C UKC 8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene +c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O UKD 3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +COc1ccc2c(c1)nc(o2)C(=O)O UKE 5-methoxy-1,3-benzoxazole-2-carboxylic acid +B(c1ccc(cc1)[N+](=O)[O-])(O)O UKH p-nitrophenylboronic acid +c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F UKJ 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene +c1ccc(cc1)Oc2ccc(cn2)N UKK 6-phenoxy-3-pyridinamine +CCC[C@H](O)S(=O)(=O)O UKM (1r)-1-hydroxybutane-1-sulfonic acid +CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C UKP [2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O UKQ (1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol +B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O UKS [(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O UKT (1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol +COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2 UKV (5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O UKW 4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide +c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O UKY 3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine +CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3 UKZ n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide +COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 UL1 (5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one +CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 UL2 n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide +CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C UL4 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 UL5 ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide +c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl UL7 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3 UL8 ~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide +C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O ULA ulapualide a +Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 ULB 3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole +c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F ULD cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3 ULE ~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F ULF [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F ULG (1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol +C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3 ULH ~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide +CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI tetracontane +COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC ULJ 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide +C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O ULK ~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide +c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F ULM (6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol +C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4 ULN ~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O ULP (2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name) +CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4 ULQ 6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide +c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N ULS 3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile +c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F ULT 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid +c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULV 4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C ULW [(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate +COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F ULY 4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 ULZ 4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C UM0 (2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid +C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN UM1 (2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid +CCCCNC(=O)[C@H](C)N UM2 (2s)-2-amino-n-butyl-propanamide +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O UM3 2'-deoxyuridine 3'-monophosphate +c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N UM4 4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide +CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3 UM5 n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide +COC(=O)[C@@H]1CCCNN1 UM7 methyl (3s)-hexahydropyridazine-3-carboxylate +Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4 UM8 2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide +C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UMA uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine +CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O UMB 6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide +C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O UMC 2'-deoxy-5'-uridylic acid +CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C UME n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F UMF 2'-fluoro-2'-deoxyuridine 3'-monophosphate +CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C UMG methyl-umbellifertl-n-acetyl-chitotriose +COc1ccc2c(c1)cc(cn2)C(=O)O UMH 6-methoxyquinoline-3-carboxylic acid +CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O UMJ 1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid +c1cc(ccc1C2(CCNCC2)O)Br UMK 4-(4-bromophenyl)piperidin-4-ol +C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C UML uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine +CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C UMM tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate +c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UMN 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide +CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O UMO 2'-f-4'-ome u +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMP 2'-deoxyuridine 5'-monophosphate +CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O UMQ undecyl-maltoside +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UMS 2'-methylselenyl-2'-deoxyuridine-5'-phosphate +c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 UMT 4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N UMV methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate +CC(C)(CN1CC[C@@H](C1)N)O UMW 1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol +C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UMX [(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N UMY 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)c(c[nH]2)CCc3ccncn3 UMZ 3-(2-pyrimidin-4-ylethyl)-1~{h}-indole +C(C[C@@H](C(=O)O)N)CC(=O)O UN1 2-aminohexanedioic acid +C([C@@H](C(=O)O)N)C(O)O UN2 2-amino-4,4-dihydroxybutanoic acid +Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O UN3 (2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid +c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3 UN4 5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O UN5 {3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid +c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O UN6 (3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid +CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O UN7 3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid +CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F UN8 n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide +c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O UN9 n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine +CCCCCCCCCCC=O UNA undecanal +[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N UNB n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide +C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N UNC 5-amino-6-nitropyrimidine-2,4(1h,3h)-dione +CCCCCCCCCCC UND undecane +COc1cc(cc2c1oc(c2)C(=O)O)Br UNE 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid +CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C UNH ({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester +c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O UNI 4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide +c1cc2c(cc1Br)cc(o2)C(=O)O UNJ 5-bromo-1-benzofuran-2-carboxylic acid +CC[C@@H](C(=O)O)N UNK unknown + UNL unknown ligand +c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O UNM 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid +C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F UNN (6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O UNP 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine +c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O UNQ 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid +C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O UNR 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium +Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F UNS 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile +Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4 UNT (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid +c1ccc(cc1)C(=O)N UNU benzamide +c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O UNV 6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) +c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UNW 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one +* UNX unknown atom or ion +C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNY (2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C UNZ (2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide +Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O UO1 n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide +C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N UO2 (2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide +Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N UO4 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile +c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UO5 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one +C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C UO7 (2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone +c1nc2c(n1C3CCCCC3)NC(=NC2=S)N UO8 2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione +CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOA [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) +CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O UOB 2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate) +CCCCCCCCCC(=O)C UOC undecan-2-one +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C UOD (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl UOE (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C UOG (2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl UOH (2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide +Cc1cc(on1)C(=O)Nc2ccncc2 UOI 3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide +C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C UOJ (2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone +COc1ccc2c(c1)c(c[nH]2)CC#N UOK 2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N UOM 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile +COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl UON 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde +CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N UOP 4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide +CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UOQ undeca-2-one coenzyme a +CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl UOS 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one +COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O UOT 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde +Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4 UOV n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide +C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl UOW (2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide +C([C@@H](C(=O)O)N)[Se@@H]=O UOX 3-(oxido-lambda~4~-selanyl)-l-alanine +CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2 UOY 4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O UP1 uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O UP2 uroporphyrinogen iii +c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O UP3 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid +CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl UP4 n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N UP5 p1-(adenosine-5'-p5-(uridine-5')pentaphosphate +C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UP6 6-aza uridine 5'-monophosphate +c1cc(c(c(c1)N)C(=O)O)C(=O)O UP8 3-aminobenzene-1,2-dicarboxylic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N UPA uridylyl-2'-5'-phospho-adenosine +C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C UPB 3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O UPC 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine +CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC UPD 1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide +c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O UPE 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O UPF uridine-5'-diphosphate-2-deoxy-2-fluorogalactose +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O UPG uridine-5'-diphosphate-glucose +CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2 UPJ 1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide +c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O UPK 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol +CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC UPL unknown branched fragment of phospholipid +C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO UPM uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid +CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O UPN 2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid +c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O UPP phenyl-uridine-5'-diphosphate +Cc1cn(cn1)c2ccc(cc2)C=O UPQ 4-(4-methylimidazol-1-yl)benzaldehyde +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O UPR 2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O UPS 2'-deoxy-5'-o-thiophosphonouridine +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O UPT 1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O UPU [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate +CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O UPV 2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) +c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O UPW 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid +C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] UPX n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C UQ coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C UQ1 ubiquinone-1 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C UQ2 ubiquinone-2 +c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O UQ4 n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ5 2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone +Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ6 5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ7 ubiquinone-7 +CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C UQ8 ubiquinone-8 +CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C UQ9 ubiquinone-9 +CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 UQA 5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione +c1cc(ccc1[C@H](CN)O)F UQB (1r)-2-amino-1-(4-fluorophenyl)ethanol +[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQD 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N UQG 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide +Cn1cc(c(n1)C(F)F)C(=O)N UQJ 3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide +CC(C)(C(=O)O)NC(=O)C(=O)O UQK n-oxalyl-alpha-methylalanine +CC(=O)Nc1ccc(cc1)CC(=O)N UQM n-[4-(2-amino-2-oxoethyl)phenyl]acetamide +Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br UQN 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole +c1ccc(c(c1)CNc2c[nH]nc2)F UQS n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine +CC(=O)Nc1ccccc1CC(=O)O UQV [2-(acetylamino)phenyl]acetic acid +CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C UQW [(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate +CNC1(CCCC1)C(=O)N UQY 1-(methylamino)cyclopentane-1-carboxamide +CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C UQZ ~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide +Cc1cc(cc(c1)S(=O)(=O)N)F UR1 3-fluoro-5-methylbenzene-1-sulfonamide +CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O UR2 4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O UR3 3-methyluridine-5'-monophoshate +COCC(=O)Nc1nc(cs1)c2ccccc2 UR4 2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide +C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O UR5 (+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +Cc1ccc(cc1F)CS(=O)(=O)N UR7 1-(3-fluoro-4-methylphenyl)methanesulfonamide +C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O UR8 (-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid +C1=CNC(=O)NC1=O URA uracil +C1=C(C(=O)NC(=O)N1)Br URB 5-bromopyrimidine-2,4(1h,3h)-dione +C12=C(NC(=O)N1)NC(=O)NC2=O URC uric acid +C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URD 1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione +C(=O)(N)N URE urea +C1=C(C(=O)NC(=O)N1)F URF 5-fluorouracil +c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N URH ~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URI uridine +Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F URJ 4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide +COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C URK [(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate +CC(C)C[C@@H](CNC(=O)O)N URL [(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O URM (((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +C1(=C(NC(=O)NC1=O)N)N URN 5,6-diaminopyrimidine-2,4(1h,3h)-dione +c1c(nc[nH]1)C=CC(=O)O URO (2e)-3-(1h-imidazol-4-yl)acrylic acid +C(CNC(=O)N)C(=O)O URP n-(aminocarbonyl)-beta-alanine +C[C@@H](CNC(=O)N)C(=O)O URQ (2s)-3-(carbamoylamino)-2-methylpropanoic acid +c1ccc(cc1)NC(=S)N URS n-phenylthiourea +c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N URT ({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O URU ((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate +CC(C)[C@@H](CNC(=O)O)N URV [(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid +C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N URW 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide +C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O URX [(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O URY 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid +C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S US1 2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate) +CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US2 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) +CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O US3 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O US4 [(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate +C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O US5 1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one +CS(=O)(=O)c1ccc(cc1)N2CCNCC2 US7 1-[4-(methylsulfonyl)phenyl]piperazine +CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3 US8 2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide +[H]/N=C/c1[nH]ccn1 USA (e)-1-(1h-imidazol-2-yl)methanimine +CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O USC 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +[H]/N=C/c1ncccn1 USD (e)-1-(pyrimidin-2-yl)methanimine +c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O USE orientin +c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F USG 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one +CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl USH 2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide +CN1[C@H](c2ccccc2[C@@H]1O)O USJ (1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol +CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O USM 2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate) +C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C USN dimethylated-f430 cofactor +CN1c2ccc(cc2O[C@H]1O)N USP (2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O USQ sulfoquinovose-uridine-c1,5'-diphosphate +c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F USS 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one +c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O UST 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl USW 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F USY n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F USZ ~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide +CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C UT0 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone +COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O UT2 n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide +c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2 UT4 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one +CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F UT5 n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O UT7 oxa(dethia)-coa +COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O UT8 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O UTA acetyl-oxa(dethia)-coa +c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O UTB 1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione +c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl UTD 4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one +c1ccc(c(c1)NC(=S)NCc2ccco2)Cl UTG n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea +Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C UTH 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid +c1cc2ccncc2c(c1)c3ccc(cc3)CC#N UTJ [4-(isoquinolin-8-yl)phenyl]acetonitrile +CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7 UTM 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O UTP uridine 5'-triphosphate +c1ccc(cc1)Cn2cnc3c2cccc3 UTS 1-benzyl-1h-benzimidazole +CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C UTV 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one +B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N UTX 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide +C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N UTY 3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile +c1c(cn(n1)CCO)Br UU1 2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol +C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O UU3 (5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione +C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N UU4 (2s)-2-amino-4-(l-serylamino)butanoic acid +C(CNC(=O)C=O)[C@@H](C(=O)O)N UU5 (2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O UUA uridine uronic acid +CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl UUB (e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide +CC(=O)/N=C\1/Nc2ccccc2S1 UUD n-(1,3-benzothiazol-2-yl)acetamide +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F UUE 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene +COc1cc(ccc1CO)Br UUG (4-bromo-2-methoxyphenyl)methanol +[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F UUH (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol +c1cc(c(cc1Br)C#N)O UUJ 5-bromo-2-hydroxybenzonitrile +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C UUK tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate +c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl UUL 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol +Cc1cc(no1)C(=O)Nc2cnn(c2)C UUM 5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide +c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO UUN n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide +c1cnc2c(cnn2c1)C(=O)NC3CC3 UUP n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide +C1=CN(C(=O)C=C1Br)CCO UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one +C[C@@H](CO)OC[C@H](C)OC[C@H](C)O UUT (2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol +C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O UUU (1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COCCn1cc(cn1)Br UUV 4-bromo-1-(2-methoxyethyl)-1h-pyrazole +CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C UUW n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide +CN(CCO)c1ccccn1 UUY 2-[methyl(pyridin-2-yl)amino]ethan-1-ol +COc1cccc2c1CCCC(=O)N2 UV1 6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one +c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O UV4 3-(benzoylamino)-n-oxobenzamide +CC(=O)NCc1c[nH]nc1 UV7 n-[(1h-pyrazol-4-yl)methyl]acetamide +CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C UV8 3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid +CNc1ccccc1S(=O)(=O)C UVA n-methyl-2-(methylsulfonyl)aniline +c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O UVB 4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde +C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O UVC uridine-2',3'-vanadate +COC(=O)Nc1ccc(cc1)Cc2ccncc2 UVD methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate +c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O UVE 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde +CN(C)C(=O)c1c[nH]nc1 UVG n,n-dimethyl-1h-pyrazole-4-carboxamide +CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UVH 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde +Cc1nc2ccccc2n1CCC(=O)N UVJ 3-(2-methyl-1h-benzimidazol-1-yl)propanamide +c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F UVK 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde +CCOC(=O)N1CCOCC1 UVM ethyl morpholine-4-carboxylate +c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 UVN 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde +CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O UVP 1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F UVQ 4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +COCc1nnc(s1)N UVS 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine +C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O UVT 4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde +CC1=CC=C(C(=O)N1C)N UVV 3-amino-1,6-dimethylpyridin-2(1h)-one +CC(=O)OP(=O)(O)O UVW acetylphosphate +C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O UVX [(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate +CCn1cc(cn1)CCO UVY 2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol +c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl UVZ 4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde +CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N UW1 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O UW2 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5 UW3 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide +CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N UW4 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide +CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O UW5 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol +Cn1c2c(nn1)CC[C@@H](C2)C(=O)O UW7 (6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid +C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O UW8 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid +CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N UW9 1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N UWA 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N UWB 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CNCc1nnc2n1cccc2 UWD n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine +C(#[O+])[Ni] UWE $l^{3}-oxidanylidynemethylnickel +C[C@@H](c1cnn(c1)C2CCCC2)O UWG (1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol +COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWH 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde +CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C UWJ 5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione +CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O UWK 4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N UWM trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile +c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6 UWN [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} +Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N UWP [3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile +COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O UWQ 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde +Cc1cc(on1)CN2C(=O)C=CC(=N2)C UWS 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one +C[C@H](CO)OC[C@H](C)OC[C@H](C)O UWT (2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol +c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl UWU 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one +c1ccc(c(c1)NCc2cc[nH]n2)F UWV 2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline +CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C UWX ~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide +CCn1cc(cn1)NC(=O)C2CCCC2 UWY n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide +CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3 UWZ ~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide +COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO UX0 (1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol +CNC(=O)C1(CC1)Cc2ccccc2F UX1 1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide +CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C UX4 ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate +COc1ccc2c(c1)sc(n2)NC(=O)C3CC3 UX7 n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide +c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O UX8 (2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid +CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC UX9 methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate +c1cc2c(cc1C(=O)NC3CC3)OCO2 UXA ~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide +c1c(cn[nH]1)C(=O)N2CCCC2 UXD (1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone +CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C UXE 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol +c1ccc(cc1)C(c2ccccc2)N3CC(C3)O UXG 1-(diphenylmethyl)azetidin-3-ol +CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O UXH 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide +Cc1c(c[nH]n1)CNc2ccccc2F UXJ 2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline +CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXK 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine +CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N UXM (2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide +CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O UXN 4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide +c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5 UXP [(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol +c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl UXQ (2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid +CSCC[C@@H](CO)N UXS (2s)-2-amino-4-(methylsulfanyl)butan-1-ol +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXT 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C UXW 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C(CN)[C@H](C[C@@H](C(=O)O)N)O UXY (4r)-4-hydroxy-l-lysine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UXZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O UY1 2'-o-methylpseudouridine-5'-monophosphate +CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C UY2 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one +C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O UY4 (2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid +CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C UY5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H](CN[C@H]1C(=O)O)O UY7 (4s)-4-hydroxy-d-proline +C1[C@H](CN[C@H]1C(=O)O)O UYA (4r)-4-hydroxy-d-proline +CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C UYC 3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4 UYD (2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol +CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 UYG (3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC UYH [(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate +Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5 UYK (r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole +c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5 UYM (3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N UYN [[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium +c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N UYQ [[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium +CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 UYS 3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide +C/C(=N\NC(=[NH2+])N)/c1ccccc1 UYT [azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium +c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl UYW [azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C UYZ 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-] UZ0 2'-azido-2'-deoxyuridine +C1CC1N UZ1 cyclopropanamine +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C UZ2 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N UZ4 (2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid +CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C UZ5 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +c1ccc(cc1)OC(=O)O UZ7 phenyl hydrogen carbonate +C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C UZ9 (2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid +CC/C=C/CCC[C@@](C)(C(=O)O)N UZA (2s,6e)-2-amino-2-methylnon-6-enoic acid +CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C UZB 9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one +CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O UZD methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside +CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZE 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N UZG 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide +CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C UZH 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one +C1[C@@H]([C@@H](CO[C@H]1O)O)O UZJ 2-deoxy-beta-d-ribopyranose +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5 UZK (2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO UZM (3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide +CCCC[C@@H](CNC(=O)O)N UZN [(2~{s})-2-azanylhexyl]carbamic acid +CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl UZP (3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide +CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C UZQ (2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N UZR 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate +C(CCCS)CCC(=O)NO UZS n-hydroxy-7-sulfanylheptanamide +C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4 UZT (2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide +C(CCS)CC(=O)NO UZV n-hydroxy-5-sulfanylpentanamide +c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO UZW ~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide +C(CCC(=O)NO)CCS UZY n-hydroxy-6-sulfanylhexanamide +[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN UZZ 1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine +[V+3] V vanadium ion +c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5 V01 n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide +CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN V02 3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol +c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO V04 4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide +c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F V05 3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide +Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V07 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine +CC(C)[C@H](C=O)[C@H](C(=O)O)O V08 (2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid +C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C V0A (3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione +Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3 V0B n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide +CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 V0D 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine +c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0E 2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile +CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl V0G n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide +c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O V0H 2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile +CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6 V0J (2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid +CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5 V0K 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide +C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 V0L volitinib +c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl V0M 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O V0N 2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N V0P 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine +CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO V0Q [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol +CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl V0S 3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide +c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O V0T 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol +C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O V0V (3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name) +Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C V0W 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane +CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC V0Y 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile +CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V10 n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O V11 [(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate +c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O V12 5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine +C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1ccc(cc1)CCC2=CC(=O)NC(=N2)N V15 2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one +CCCCc1ccc(c(c1)C)N/C=N\O V16 n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide +c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6 V17 (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone +c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O V18 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione +CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C V1A s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate +c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 V1B 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione +CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F V1D n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide +Cc1ccc(cc1)S(=O)(=O)N(C)C V1E ~{n},~{n},4-trimethylbenzenesulfonamide +c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3 V1F 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide +CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO V1G (1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide +Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC V1H 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine +C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO V1J 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol +Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC V1K 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole +C1CCNC(=O)C1 V1L piperidin-2-one +Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC V1M methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate +c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O V1N [(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate +CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O V1P 5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide +Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C V1Q 4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide +CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O V1S (1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CN1c2ccc(cc2N(C1=O)C)C(=O)N V1T 1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide +CCC[C@@H]([C@@H](C(=O)O)O)N V1V (2s,3s)-3-amino-2-hydroxyhexanoic acid +c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O V1W v-coelenterazine +Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl V1Y 4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide +CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N V20 n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N V21 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide +c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4 V22 ~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V24 n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine +CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N V25 ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate +CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F V26 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide +CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O V27 1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one +CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4 V28 n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine +CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N V2A neoseptin 3 +CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC V2C methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate +Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O V2D methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate +c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] V2E 3-morpholin-4-yl-4-nitro-benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N V2G 2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid +CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C V2H (1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N V2J 5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine +Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC V2K 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC V2M n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC V2N 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N V2P (2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid +COC1CN(C1)C(=O)c2ccc(cc2)C=O V2Q 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde +c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V2S (2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid +Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O V2T 4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide +C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O V2V cdp-ribitol +COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O V2W 4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide +CCCC1=NC(=CNC1=O)c2cccnc2 V2Z 3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one +Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C V30 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide +c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br V31 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid +c1cc(ccc1C=O)C(=O)N2CCOCC2 V32 4-morpholin-4-ylcarbonylbenzaldehyde +CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC V34 ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate +[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V35 d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O V36 l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid +c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4 V37 [(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate +C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O V38 [(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate +Cc1c(cccc1OCc2cccc(n2)CO)O V39 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N V3A 9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O V3B 4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC V3D (3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate +CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C V3H (2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid +c1cc2c(cc1C(=O)N3CCOCC3)nns2 V3J (4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone +Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O V3K 4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N V3L 2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate) +C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O V3M 2-deoxy-2-fluoro-alpha-d-arabinofuranose +c1cc(ccc1C=O)C(=O)NCC2CCOCC2 V3N 4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide +c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I V3P 4-iodophenyl 1,4-dithio-beta-d-glucopyranoside +COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O V3Q 4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide +CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3 V3S (2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide +Cn1ccnc1CNC(=O)c2ccc(cc2)C=O V3T 4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide +CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O V3V 2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid +COC1CCN(CC1)C(=O)c2ccc(cc2)C=O V3W 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde +CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O V3Z (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate +[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N V41 (2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide +Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V42 (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate +Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C V44 s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl V45 (2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide +c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O V47 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine +COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V48 (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate +c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F V49 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7 V4A platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] +Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4B [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate +c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N V4D 4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O V4E thiamine triphosphate +c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O V4H 4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde +CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O V4J 2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate +c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO V4K 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde +c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl V4M 2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide +c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O V4N (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate +[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-] V4O cyclo-tetrametavanadate +CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6 V4Q n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide +C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3 V4T 1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 +c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V4V 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O V4W 4-deoxy-l-erythro-hex-5-ulosuronic acid +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N V4Y 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl V4Z 5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine +Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide +C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F V51 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide +CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 V52 1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N V54 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +COc1cc(ccc1O)C=O V55 4-hydroxy-3-methoxybenzaldehyde +CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO V56 (4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N V57 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N V5A adenosine-5'-vanadate +COS(=O)(=O)O V5B methyl sulfate +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N V5D 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine +c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4 V5E 5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine +c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N V5G 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine +Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F V5J 3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide +COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O V5M (2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid +c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O V5N (2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid +COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O V5P lignostilbene +COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC V5Q ~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide +c1cc(ccc1NCCO)Br V5S 2-[(4-bromophenyl)amino]ethan-1-ol +c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F V5V (1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) +c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl V5W 4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5 V5X (2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide +C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O V5Z dmhbo+ +C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N V61 2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br V62 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3 V63 [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V64 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate +c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl V65 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide +CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO V66 tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate +c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3 V67 4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid +CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N V68 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine +CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO V69 (4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione +c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F V6A selinexor, bound form +Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br V6B 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide +C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C V6D (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione +c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl V6E 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O V6F (4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide +Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C V6G 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one +c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F V6H 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide +Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O V6M 7-methyl-3-phenyl-1h-indole-2-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)O V6P 3-phenoxyphenol +c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O V6S 4-(3-hydroxyphenoxy)benzoic acid +CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C V6T dmhbi+ +Cc1c2cc(ccc2[nH]c1C(=O)O)Br V6V 5-bromo-3-methyl-1h-indole-2-carboxylic acid +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O V6Y 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N V71 (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside +c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O V74 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid +CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O V75 (2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid +CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O V77 {[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid +CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O V78 methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC V7A sarecycline +CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C V7B [(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate +CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1 V7D 2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC V7G n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O V7H (2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N V7K (2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid +Cc1cc(cc(c1)F)C V7M 1-fluoro-3,5-dimethylbenzene +C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O V7N (2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid +O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O V7O meta vanadate +c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N V7P (2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal +c1cc(c2c(c1)nsn2)CN V7Q 2,1,3-benzothiadiazol-4-ylmethanamine +CSCc1cccc(c1)CSC V7S 1,3-bis[(methylsulfanyl)methyl]benzene +[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O V7T (2r)-6-azanyl-2-carbamimidamido-hexanoic acid +c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O V7V 3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid +c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O V7W (2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid +C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N V7Y 2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C V81 5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O V82 [4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate +Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O V84 2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide +c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S V85 (2r)-n,3-diphenyl-2-sulfanyl-propanamide +c1ccc(cc1)CCCCNC=O V87 n-(4-phenylbutyl)formamide +c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8 V8A 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone +Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O V8B 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one +CCOC(=O)c1cncn1[C@H](C)c2ccccc2 V8D ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate +CCCCC1CCC(CC1)C(=O)O V8G trans-4-butylcyclohexane-1-carboxylic acid +C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O V8H [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O V8K dolichylphosphate +c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O V8M n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide +c1cc(cc(c1)CN)CC(=O)O V8N 2-[3-(aminomethyl)phenyl]ethanoic acid +CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O V8P (3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide +C1C[C@H](NC1)[C@H](N)O V8W (r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O V8Y 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid +C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C V8Z (1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene +C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide +c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4 V91 n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide +COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 V95 methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate +c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V97 n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid +c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5 V98 ~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide +c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9A n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid +CCC(=O)c1cc([nH]c1)C(=O)NC V9B n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide +c1ccc(cc1)CCNC(=O)O V9C 2-phenylethylcarbamic acid +c1cc(cc(c1)C(=O)NO)C(=O)NO V9D n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide +CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O V9G 7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine +C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O V9H 3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide +c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F V9J 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol +C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O V9K 2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide +C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C V9M (3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium +C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5 V9N (3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide +CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6 V9Q (3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide +c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4 V9S 6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid +CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O V9T 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O V9V n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid +CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C V9W (3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol +c1cc(oc1C(=O)NO)C(=O)NO V9Y n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide +Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC V9Z n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide +CCCCCC\C=C/CCCCCCCCCCOC(=O)C VA (z)-octadec-11-enyl acetate +B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O VA1 {5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid +[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O VA3 trivanadate +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N VA4 5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N VA5 9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N VA6 9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N VA7 2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C VA8 ~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide +CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VAA n-[valinyl]-n'-[adenosyl]-diaminosufone +C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O VAB 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid +c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O VAC n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide +CC(C)[C@H](C(=O)O)O VAD deaminohydroxyvaline +c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O VAE 3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid +CC(C)[C@@H](C(=O)C)N VAF methylvaline +CC[C@H]([C@@H](C(=O)O)N)O VAH (3r)-3-hydroxy-l-norvaline +CC(C)[C@@H](C(O)O)N VAI (2s)-2-amino-3-methylbutane-1,1-diol +c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O VAJ [1,1'-biphenyl]-3,4'-dicarboxylic acid +CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O VAK methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate +CC(C)[C@@H](C(=O)O)N VAL valine +CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 l-valine c-terminal deprotonated fragment +CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H l-valine c-terminal protonated fragment +CC(C)[C@@H](C(=O)O)N VAL_LFOH l-valine free neutral +CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW l-valine free zwitterion +CC(C)[C@@H]([C-]=O)[NH-] VAL_LL l-valine - linking embedded fragment +CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 l-valine n-terminal protonated fragment +c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O VAO 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid +CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C VAP 6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O VAQ 4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N VAR 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol +CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O VAS (2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid +c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O VAT 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O VAU (1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid +COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O VAW (2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate +C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O VAY {(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate +CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O VAZ n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine +CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N VB1 n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB2 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +C[C@@H](CC1CCCCC1)NCc2ccccc2O VB3 2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O VB4 (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan +CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C VB5 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide +c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N VB7 {(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate +CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C VB8 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide +c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N VBA [(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate +c1cc(cc(c1)C(=O)O)c2ccc(cc2)N VBC 3-(4-aminophenyl)benzoic acid +C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C VBD (7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one +CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC VBE 1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide +CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F VBG 2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile +CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC VBH n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide +CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N VBM methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate +C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C VBN (4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide +c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O VBP 4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid +CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C VBS (3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one +c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O VBV [1,1'-biphenyl]-4,4'-disulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C VBY 5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O VBZ (1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O VC1 methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate +CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C VC2 (3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid +c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-] VC3 3-(4-nitrophenyl)-1h-pyrazole +COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O VC4 methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate +COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O VC5 methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VC6 4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O VC7 5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine +C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VC8 4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O VC9 2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine +CCCCCCC=CCCCCCCCCCC(=O)O VCA vaccenic acid +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C VCD 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole +c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O VCE 3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid +CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO VCG 2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside +CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C VCH (1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide +c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F VCJ tetrakis(4-fluorophenyl)phosphanium +CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O VCK (2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O VCP (e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-] VCS 4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C VCV n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O VCW [(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC VCY [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VD1 5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol +CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O VD2 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C VD3 (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol +C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD4 (1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O VD5 (1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C VD8 3,5-di~{tert}-butylbenzenesulfonamide +CCCSc1ccc(cc1)S(=O)(=O)N VD9 4-(propylsulfanyl)benzenesulfonamide +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDA (1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O VDB (1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F VDJ [4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate +C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O VDK [(1s,3s)-3-carboxycyclohexyl]azanium +C[C@H]([C@H](C(=O)O)N)N VDL (2r,3r)-2,3-diaminobutanoic acid +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO VDM (1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol +CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C VDN 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O VDO [(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate +C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C VDP (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one +c1cc(ccc1N)N2CCOCC2 VDQ 4-morpholin-4-ylaniline +C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O VDS beta-d-allofuranose +C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O VDV alpha-d-allofuranose +C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+] VDW [(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C VDX 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C VDY 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol +C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C VDZ 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] VE4 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3 VE5 n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide +COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O VE7 [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C VEA 5-oxa-protoporphyrin ix containing fe +C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O VEB [oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid +COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O VED 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-] VEE (1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC VEG ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate +Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5 VEH 6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC VEJ n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br VEK 6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC VEM n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6 VEN 2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3 VEP n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5 VEQ n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C VER iron-octaethylporphyrin +C1CCNC1 VES pyrrolidine +C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O VET [(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC VEV n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5 VEW n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide +CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC VEY n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide +C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC VF1 (2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol +CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl VF2 4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline +C[C@@H]1CCC[C@H](C1)O VF4 (1r,3s)-3-methylcyclohexan-1-ol +COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4 VFA n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide +c1ccc2c(c1)[nH]c3[n+]2nc[nH]3 VFB 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium +C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F VFC n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide +COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O VFD olodanrigan +CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl VFE 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide +CCC(=O)Nc1nnc(s1)S(=O)(=O)N VFG n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +CCCC(=O)Nc1nnc(s1)S(=O)(=O)N VFJ n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide +CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VFM 2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl VFN ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide +Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3 VFP 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione +COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3 VFS n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl VFT 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F VFV n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC VFW 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide +CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC VFY methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate +c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl VFZ ~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O VG0 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O VG1 alpha-d-glucose-1-phosphate-6-vanadate +Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3 VG2 4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide +CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O VG3 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide +CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG4 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O VG5 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O VG6 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O VG7 n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide +CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6 VG8 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one +CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC VG9 6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5 VGA 1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol +CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3 VGB (5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium +Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O VGC 6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid +c1cc2c(cc1Cl)[nH]c(n2)N VGD 6-chloro-1h-benzimidazol-2-amine +c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl VGF 1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine +Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N VGG 1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VGH 3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine +c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O VGI 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione +CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O VGJ (3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid +COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O VGK 4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid +c1cnc(cn1)C(=O)O VGL pyrazine-2-carboxylic acid +COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N VGM 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide +CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3 VGN 2-acetamido-5-(4-phenylphenyl)benzoic acid +C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O VGP (1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol +c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl VGQ 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N VGS 2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide +C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N VGV n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide +CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C VGW 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile +C(CO)C(=O)C(=O)O VGX 4-hydroxy-2-oxobutanoic acid +C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O VGY 2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol +c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN VH0 (2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid +c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O VH1 2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate +c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O VH2 n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide +CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O VH4 1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VH5 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O VH7 n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide +CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VH8 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide +Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2 VHA 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine +Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl VHB 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C VHC 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2 VHD 4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol +Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C VHE 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione +CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C VHG 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid +CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O VHH 5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid +c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O VHI 5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid +CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHJ n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide +CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHK 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile +CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3 VHM n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide +C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHN (2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C VHP n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl VHQ 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile +C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 VHS 3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine +COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F VHT methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VHV n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC VHW methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) +CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC VHY (2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate +C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl VHZ (2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide +c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O VI 1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C VIA 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO VIB 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium +C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C VIF flopristin +CC[C@H](CCC(=O)O)N VIG 4-amino hexanoic acid +c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O VII 2,5-diphenylfuran-3,4-dicarboxylic acid +CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O VIN 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one +CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N VIO n5-(1-imino-3-butenyl)-l-ornithine +Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC VIQ 4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C VIR virginiamycin m1 +CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl VIS 2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide +Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C VIT vitamin e +Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C VIV (2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol +CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O VJ1 2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose +CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ2 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile +CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC VJ4 2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose +C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C VJ5 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile +C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C VJ6 valerjesomycin +CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2 VJA n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide +Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl VJE 2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O VJG {(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C VJH 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide +c1ccc(cc1)Oc2cccc(c2)C(=O)O VJJ 3-phenoxybenzoic acid +CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3 VJK (2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O VJM 4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine +CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O VJN 8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one +c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one +c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O VJS {(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O VJV (1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C VJZ 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine +C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N VK1 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide +Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C VK2 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile +CC1=CC(=O)c2ccccc2C1=O VK3 menadione +C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl VK4 (4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid +Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C VK5 ~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine +c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O VK7 trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O VKA 3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +C(COCC(=O)O)O VKC (2-hydroxyethoxy)acetic acid +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O VKD cobimetinib +c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O VKE [(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid +CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5 VKG n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide +C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+] VKH (1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol +c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6 VKJ 2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate) +c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O VKK p-coumaroyl glucose +Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F VKM 1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O VKN (1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N VKP 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC VKQ 5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide +C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N VKS (3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine +CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C VKT 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO VKV 2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol +Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3 VKW 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6 VL1 gedatolisib +CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C VL2 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide +CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O VL4 (2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid +[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3 VL5 (2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid +CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO VL7 1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2 VLA n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid +CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O VLB (2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VLD (2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3 VLE 1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one +COc1cccc(c1)c2ccc(cc2)C(=O)O VLG 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid +C[C@H]([C@@H](C(=O)O)N)N VLL (2s)-2,3-diaminobutanoic acid +CC(C)[C@@H](C(=O)N)N VLM valinylamine +CCCCCCCCCCCCCCCC(=O)OC(CO)CO VLP 1,3-dihydroxypropan-2-yl hexadecanoate +C(C(=O)O)NC(CO)(CO)CO VLS n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine +c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O VLT (2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid +Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C VLV n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VLY 1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CCCCCCCCCCCC(=O)OC(CO)CO VLZ 1,3-dihydroxypropan-2-yl dodecanoate +c1cc(sc1)c2cc(cnc2)C(=O)O VM1 5-(2-thienyl)nicotinic acid +C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO VM2 (1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol +C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VM4 6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O VM7 3-(3-methylsulfonylphenyl)benzoic acid +C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 VMA 1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4 VMC 2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol +CC(C)[C@@H](C(=O)OC)N VME methyl l-valinate +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO VMG 5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO VMJ 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O VMM etx0462 (bound form) +c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O VMP n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide +CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N VMS 5'o-[n-(l-valyl)sulphamoyl]adenosine +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2 VMV n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N VMX 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine +Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O VMY (1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol +[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N VN1 4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide +O=[V-](=O)=O VN3 vanadate ion +[O-][V](=O)=O VN4 oxido(dioxo)vanadium +CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O VND (1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl VNF 4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl VNI n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +CC(=O)c1ccccc1N VNJ 2-aminoacetophenone +CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O VNK n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide +COc1cc(ccc1O)C(=O)[O-] VNL 4-hydroxy-3-methoxybenzoate +c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O VNM (2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) +Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O VNP 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um +C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O VNR 1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6 VNS (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide +c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl VNT n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide +C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3 VNY para-biphenyl methylene c-linked mannoside +Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3 VO1 3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3 VO2 3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine +[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-] VO3 tetrametavanadate +[O-][V](=O)([O-])[O-] VO4 vanadate ion +CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC VO7 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide +C=Cc1ccc(cc1)CS(=O)(=O)O VOD (4-vinylphenyl)methanesulfonic acid +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO VOG (1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +COc1ccc(cc1OC)CO VOH veratryl alcohol +Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F VOJ 3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine +CC(C)[C@@H](CO)N VOL l-valinol +C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N VOM 2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide +C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F VOP [6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid +C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O VOR voriconazole +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O VOV harderoheme (iii) +CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5 VOY (2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide +CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O VP7 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol +[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O VPA 2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine +c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7 VPC phthalocyanine containing ga +COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O VPD 6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine +CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O VPF n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide +c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl VPG 6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine +c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F VPJ n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine +CC(C)[C@@](CC(=O)O)(C(=O)O)O VPM (2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O VPP (2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CCCC(CCC)C(=O)N VPR 2-propylpentanamide +c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O VPS 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid +CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O VPU [[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate +C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N VPV (2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid +CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C VPX ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate +CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O VPY s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate +CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO VQ1 n-acetylpuromycin +CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4 VQ7 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one +C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O VQA 10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid +c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F VQD (3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide +C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F VQG 3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide +Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C VQI (e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid +c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F VQJ 3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide +Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F VQP n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea +C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5 VQS n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea +C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O VQV 1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione +C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 VQY 9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate +CC(C)CO[P@@](=O)(C)O VR 2-methylpropyl hydrogen (r)-methylphosphonate +[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC VR0 n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-] VR1 (2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide +C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I VR2 1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3 VR4 n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide +c1cc(c(cc1c2ccsc2)C(=O)O)O VR7 2-hydroxy-5-(thiophen-3-yl)benzoic acid +COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F VRA n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide +CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C VRB phycoviolobilin, blue light-absorbing form +CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N VRD ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC VRG n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid +CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F VRJ n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide +Cc1cc([nH]n1)c2cccnc2 VRM 3-(3-methyl-1h-pyrazol-5-yl)pyridine +COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O VRO 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O VRP myriocin +CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N VRT 2'-(l-norvalyl)amino-2'-deoxyadenosine +c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N VRV 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O VRX (2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid +c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VRZ 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea +c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VS0 n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4 VS1 3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS2 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VS3 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester +CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4 VS4 3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N VS8 n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine +c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 VSA 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSB 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 VSC n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester +CCCCCCCCCCCCCCCC(=O)[C@H](CO)N VSD 3-dehydrosphinganine +CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6 VSE 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5 VSF 5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5 VSG 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine +CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N VSH tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N VSI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide +Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C VSK (2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide +C=CS(=O)(=O)O VSO vinylsulphonic acid +CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N VSP n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide +c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3 VSV n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid +CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O VSY (3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol +c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O VT0 {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) +c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F VT1 (r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol +c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N VT2 (r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile +Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2 VT3 8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one +CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C VT4 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one +CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O VT5 (2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O VT6 5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O VT7 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O VT8 5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine +Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N VTA 4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile +C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O VTB 7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose +Cc1cc(n[nH]1)c2cccc(c2)Cl VTD 3-(3-chlorophenyl)-5-methyl-1h-pyrazole +Cc1ccc(cc1)CO VTG (4-methylphenyl)methanol +[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3 VTI n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide +CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C VTP (2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C VTQ rrr-alpha-tocopherylquinone +CC1=C[C@H](OC1=O)O VTY (5s)-5-hydroxy-3-methylfuran-2(5h)-one +c1cc(ccc1CN2CCCCC2)C(=O)O VU1 4-[(piperidin-1-yl)methyl]benzoic acid +c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl VU2 (2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine +c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 VU3 2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole +c1cc(ccc1CCN)C(=O)O VU4 4-(2-aminoethyl)benzoic acid +Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC VU7 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide +CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3 VUA 4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine +C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F VUD 6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one +Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4 VUG 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine +Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4 VUJ 5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one +c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O VUM 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one +CCn1c2cc(ncc2nc1c3c(non3)N)C VUP 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N VUR (s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid +[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUS 3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O VUV 3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VUY 3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O VV1 3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O VV4 3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O VV6 [[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium +c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO VV7 dendron-d3 +CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN VVA 2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate +CC(=O)Nc1ccc(c(c1)C(=O)O)F VVD 5-(acetylamino)-2-fluorobenzoic acid +CCS(=O)(=O)Nc1ccccc1F VVG n-(2-fluorophenyl)ethanesulfonamide +CN(C1CCCCCC1)S(=O)(=O)C VVJ n-cycloheptyl-n-methylmethanesulfonamide +c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N VVM 4-amino-n-phenylbenzene-1-sulfonamide +O=[V+2] VVO oxovanadium(2+) +COc1cccc2c1cc[nH]2 VVP 4-methoxy-1h-indole +Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl VVQ 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide +CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3 VVS 2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol +c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3 VVT 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine +CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC VVV 5,6,8-trimethoxy-4-methylquinolin-2(1h)-one +CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6 VVX 6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole +c1ccc(cc1)OCC(=O)N2CCCC2 VVY 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one +C[C@@H](C(=O)N)Oc1ccc(cc1)C#N VW1 (2s)-2-(4-cyanophenoxy)propanamide +C[C@H](CS(=O)(=O)N)c1ccccc1 VW4 (2s)-2-phenylpropane-1-sulfonamide +Cc1ccc(c2c1NCCC2)NC(=O)C VW7 n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide +C[C@@H](c1ccc(cc1)F)NC VWA (1s)-1-(4-fluorophenyl)-n-methylethan-1-amine +CS(=O)(=O)C[C@@H](c1ccccc1)O VWD (1r)-2-(methylsulfonyl)-1-phenylethan-1-ol +c1ccc2c(c1)ccc(n2)C(=O)NO VWG n-hydroxyquinoline-2-carboxamide +CC(C)Nc1[nH]c2ccccc2n1 VWJ n-(propan-2-yl)-1h-benzimidazol-2-amine +CC(=O)N1CCC[C@@](C1)(C(=O)O)O VWM (3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid +Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4 VWN 2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one +[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3 VWP n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide +Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O VWS 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid +CCOC(=O)CN1CCS(=O)(=O)CC1 VWV ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate +c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N VWW l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide +CCNC(=O)c1ccc(cc1)NS(=O)(=O)C VWY n-ethyl-4-[(methylsulfonyl)amino]benzamide +CCO[P@](=O)(C)O VX o-ethylmethylphosphonic acid ester group +c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl VX1 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine +c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4 VX2 n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine +c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O VX3 2,3-diphenyl-1h-indole-7-carboxylic acid +C[C@H]1CCCN(CC1)C(=O)c2cscn2 VX4 [(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone +Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C VX6 cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide +CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C VX7 n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F VX8 lumacaftor +C[P@H](=O)[O-] VXA methylphosphonic acid ester group +Cc1c(cccc1Cl)NC(=O)CN VXD n-(3-chloro-2-methylphenyl)glycinamide +CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2 VXG (3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid +c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F VXJ n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC VXL (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate +c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O VXM 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4 VXO 5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid +c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXP 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc2c(cc1CN)CCO2 VXQ 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine +CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4 VXR (5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one +c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O VXS 4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +c1cc(c2c(c1)OCCCO2)CN VXU 3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine +c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O VXV 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione +COc1cc(ccc1O)C(=O)OC VXX methyl vanillate +c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F VXY 2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate +CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY1 (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide +C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5 VY4 tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate +c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3 VY7 1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid +CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N VYA 2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl VYD (3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYE (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide +CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl VYF (3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide +CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F VYG 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine +c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F VYI n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine +CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C VYJ 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 VYM (7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone +c1cnc(nc1c2cnc(nc2)N)N3CCOCC3 VYP 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine +CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O VYR n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide +c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYV 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide +Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N VYY 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C VZ1 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C VZ4 (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C VZ5 (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate +CC(C)(COC(=O)O)c1cccc(c1)Cl VZ7 2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate +c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F VZD 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C VZG 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide +CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4 VZJ 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide +COc1ccc(cn1)NC(=O)Nc2cccs2 VZM n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea +CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 VZP n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea +Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC VZS n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea +CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C VZV 1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide +Cc1cccc(c1)C(=O)NCC(=O)O VZY n-(3-methylbenzene-1-carbonyl)glycine +C(CCCCCOC(=O)S)CCCCC(=O)O VZZ 11-[(mercaptocarbonyl)oxy]undecanoic acid +[W+6] W tungsten ion +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C W01 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C W02 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C W03 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol +Cc1ccnc(c1)NC(=O)CNC W04 n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide +C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N W05 delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F W06 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid +CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O W07 (2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W09 n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan +CCCC(=O)NCc1[nH]c2ccccc2n1 W0A n-[(1h-benzimidazol-2-yl)methyl]butanamide +c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 W0D n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide +CN[C@@H]1CCN(C1=O)c2ccccc2F W0G (3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one +CCCCCCc1cc(c(cc1F)Oc2ccccc2)O W0I 4-fluoro-5-hexyl-2-phenoxyphenol +CN[C@@H]1CCCN(C1)c2cccnn2 W0J (3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine +C[C@H](C(=O)N)Oc1ccc(cc1)Cl W0M (2r)-2-(4-chlorophenoxy)propanamide +C[C@H](C(=O)O)Oc1ccccc1F W0P (2r)-2-(2-fluorophenoxy)propanoic acid +COc1cc(cc(c1OC)OC)CN W0S 1-(3,4,5-trimethoxyphenyl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W0T (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid +CC(C)C(=O)NCc1[nH]c2ccccc2n1 W0V n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide +CNC(=O)c1ccc(cc1)S(=O)(=O)N W0Y n-methyl-4-sulfamoylbenzamide +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W10 (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid +Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F W11 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole +CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O W12 (2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol +c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl W13 (5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one +c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F W14 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol +C(CCl)c1nnc(s1)N W16 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine +c1c(cn(n1)CCO)C(=O)N W17 1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide +c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO W19 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +CS(=O)(=O)NCC1CCNCC1 W1A n-[(piperidin-4-yl)methyl]methanesulfonamide +CC(=O)c1ccc(cc1)OCC(=O)O W1D (4-acetylphenoxy)acetic acid +C=CCc1ccc(c(c1)O)Oc2ccccc2 W1G 2-phenoxy-5-(2-propenyl)phenol +CCCn1nc(nn1)NC(=O)c2ccco2 W1J n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide +Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O W1M 3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid +CC1=NN(C(=O)C1)c2ccccc2 W1P 5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one +c1cn2c(n1)[C@H](CCC2)C(=O)N W1S (8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide +Cc1c(c(n(n1)C)C)CC(=O)N W1V 2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide +CNCc1cnn(c1)c2ccccc2 W1Y n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F W1Z (2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid +C[C@@H](C(=O)O)NC(=O)C1CCCC1 W21 n-(cyclopentanecarbonyl)-l-alanine +CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O W22 [(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid +c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F W23 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC W24 (2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide +CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2 W27 1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one +CCc1ccsc1c2ccc(c(c2)O)O W29 4-(3-ethylthiophen-2-yl)benzene-1,2-diol +C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N W2A (2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile +[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O W2C (2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide +c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2 W2D 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide +COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 W2E methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate +c1cscc1[C@H]2CCC[C@H]2C(=O)O W2G (1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid +C[C@@H]1C[C@H](CNC1)CO W2J [(3r,5r)-5-methylpiperidin-3-yl]methanol +CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4 W2K 4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide +c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2 W2M (2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one +CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F W2P n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide +c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5 W2R 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea +Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O W2S (3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid +COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O W2V (3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid +C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N W2X n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine +C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N W2Y (2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC W30 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl W31 (1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate +CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1 W32 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide +Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3 W33 5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cccc(c1)[C@@H]2CCOC[C@@H]2N W34 (3r,4s)-4-(3-methoxyphenyl)oxan-3-amine +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3 W35 5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C W37 n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine +c1c(cn(n1)CC(=O)O)Br W3A (4-bromo-1h-pyrazol-1-yl)acetic acid +C1=CN(C(=O)C=C1Br)CC(=O)O W3D (4-bromo-2-oxopyridin-1(2h)-yl)acetic acid +C1=CC(=O)NN=C1 W3G pyridazin-3(2h)-one +C1CNC(=NC1)N W3J 1,4,5,6-tetrahydropyrimidin-2-amine +c1c([nH]cn1)C#N W3M 1h-imidazole-5-carbonitrile +c1cc2cccnc2nc1 W3P 1,8-naphthyridine +c1ccn2c(c1)nnc2N W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine +C1CN(CCC1C(=O)O)C(=O)N W3V 1-carbamoylpiperidine-4-carboxylic acid +C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl W3Y (5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione +c1cc(nn2c1nnn2)Cl W41 6-chlorotetrazolo[1,5-b]pyridazine +c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3 W42 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole +Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C W43 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O W44 (2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol +c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS W45 n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide +Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F W47 1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine +Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F W4A 5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide +c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4 W4D 3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4 W4G 3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one +c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F W4J (1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O W4M (hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol +c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O W4N (1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid +CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W4P n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cn1ccc2c1ncnc2N W4S 7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +c1nc2nc3c(c(n2n1)N)CCC3 W4V 6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine +CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S W4Y 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one +c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N W51 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine +Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W54 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole +Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W56 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole +COc1cc(on1)Cn2cnc(c-3ncnc23)N W57 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine +CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C W59 5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cc1nc(cs1)Cn2cnc(c-3ncnc23)N W5A 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine +c1c[nH]c2c1c(ncn2)N3CCCCCOCC3 W5D 4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine +c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4 W5G 4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine +CN(CCC(=O)O)c1c2cc[nH]c2ncn1 W5J n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine +Cn1cnc2c1nc(nc2N)N W5M 9-methyl-9h-purine-2,6-diamine +c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F W5P 4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C W5S 7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O W5V 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N W5Y 5'-o-(l-phenylalanylsulfamoyl)adenosine +c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W61 1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C W64 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC W66 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C W67 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC W68 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C W69 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine +c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl W6A 4-chloro-1h-indole-2-carboxylic acid +c1cc(c2cc[nH]c2c1)C(=O)N W6D 1h-indole-4-carboxamide +c1ccc(cc1)S(=O)(=O)Nc2nncs2 W6G n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide +c1ccnc(c1)N2CCCNCC2 W6J 1-(pyridin-2-yl)-1,4-diazepane +Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O W6M 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid +c1ccc2c(c1)CC(=O)N2 W6P 1,3-dihydro-2h-indol-2-one +Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C W6Q (2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide +c1c[nH]nc1C2CCNCC2 W6S 4-(1h-pyrazol-3-yl)piperidine +c1ccc(cc1)C(=O)Nc2nccs2 W6V n-(1,3-thiazol-2-yl)benzamide +CC(=O)C(F)(F)F W6X 1,1,1-tris(fluoranyl)propan-2-one +c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O W6Y 5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C(F)(F)F)(O)O W6Z 1,1,1-tris(fluoranyl)propane-2,2-diol +c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W70 2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3 W71 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O W72 6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid +c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O W73 2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F W74 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O W75 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W76 5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl W77 2,4-dichloro-n-(pyridin-3-yl)benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC W79 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7A 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7B 5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7C 5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O W7D 5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O W7E 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid +COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7F 5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O W7G 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7H 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W7I 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W7J 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O W7K 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O W7L 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W7M 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO W7N 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O W7O 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O W7P 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O W7Q 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1ccc(cc1)CNC(=O)c2cnccn2 W7S n-benzylpyrazine-2-carboxamide +CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3 W7V (1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide +c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4 W7Y 4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine +Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC W80 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine +CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-] W81 (5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate +Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC W82 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine +COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O W83 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C W84 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O W85 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O W86 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O W87 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O W88 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O W8A {[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid +c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N W8D 3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine +c1c[nH]c2c1c(nc(n2)N)N3CCSCC3 W8G 4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine +c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N W8J 3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine +Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl W8L 3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one +COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C W8M 2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate +CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O W8P n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide +Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C W8R 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole +Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8S (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone +Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O W8V (1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone +c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br W8X {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid +Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O W8Y (5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone +COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O W8Z 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl W91 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole +c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5 W94 [(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone +CCC(CC)n1c2c(ncc(n2)C#C)nc1O W97 6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol +C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C W99 [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone +CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O W9A (1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol +CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C W9D 5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one +COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O W9G (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol +CSCC[C@@H](C(=O)O)NC(=O)N W9J n-carbamoyl-l-methionine +CCNC(=O)Nc1cccc2c1cccc2 W9L 1-ethyl-3-naphthalen-1-ylurea +CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl W9M 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea +c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9P (1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol +C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N W9S (1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O W9T 4-o-beta-d-galactopyranosyl-beta-d-fructofuranose +c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9V (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol +c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O W9Y (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C W9Z 6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline +c1ccc(cc1)NC(=O)Nc2cnns2 WA1 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea +C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO WA2 (2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol +c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O WA3 (2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol +[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O WA5 4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WA7 (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol +CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C WAA (2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid +CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O WAC n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide +CCCCCCCC[C@H](CCCCCCCCC(=O)O)O WAD (10r)-10-hydroxyoctadecanoic acid +Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN WAI 4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine +C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N WAM 2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N WAN 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N WAQ pimeloyl-amp +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAS 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate +c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O WAV (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol +Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO WAY n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide +Cc1ccc2c(c1)[nH]cc2C(=O)O WB1 6-methyl-1h-indole-3-carboxylic acid +CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5 WB4 n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3 WB7 1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide +c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5 WBA n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide +c1cc2c(cc1Cl)nc([nH]2)Cl WBD 2,5-dichloro-1h-benzimidazole +COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6 WBG 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4 WBI n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide +Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O WBJ (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid +c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5 WBM 2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1ccc(c(c1)c2cccc(c2O)O)O WBP 3-(2-hydroxyphenyl)benzene-1,2-diol +c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6 WBS 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one +c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5 WBT 3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide +C1=C(C(=O)NC(=O)N1)N WBU 5-amino-1h-pyrimidine-2,4-dione +Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C WBV (2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid +Cc1nc2c(s1)C(=O)N(C(=O)N2)O WBY 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione +C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C WC1 (2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid) +COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O WC4 (1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol +c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O WC7 6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O WCA p-coumaroyl-coa +[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 WCC fe(3)-ni(1)-s(4) cluster +CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O WCD (2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +c1cc(cc(c1)Cl)C(=O)N WCE 3-chloro-benzamide +COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O WCG (1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol +C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N WCM (2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name) +O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WCO co-substituted alpha-keggin +c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2 WCP (4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one +c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O WCR [(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid +CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3 WCS 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine +c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3 WCU ~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine +C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4 WCV cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C WCX 4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide +C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3 WCY n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide +C1C[C@@H](C[C@H](C1)F)CNCC(O)O WD1 2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol +CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C WD7 n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide +CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C WDA 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione +CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C WDD 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione +CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C WDG 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid +CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C WDJ 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1(nc(nc(n1)O)O)O WDL 1,3,5-triazine-2,4,6-triol +CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C WDM 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one +C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C WDP sequanamycin 9 +Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO WDR (4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one +CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4 WDS 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one +c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-] WDT 2-nitro-5-(phenylsulfonyl)phenol +c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl WDU 4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide +c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F WDV 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3 WDW 3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone +Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO WDX [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone +c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4 WDY n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide +CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3 WE0 (3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid +CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 WE1 4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide +c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O WE4 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid +Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N WE7 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O WEF n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine +c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4 WEG 2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine +Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C WEJ 4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide +CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C WEM methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate +Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O WEP n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC WES (2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate +C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C WEV (5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose +C(COCCOCC(=O)NCCOCCOCC(=O)O)N WF1 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid +Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F WF3 methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate +Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O WF4 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid +Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C WF7 n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide +CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3 WF8 5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone +CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O WFA 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid +Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C WFD 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one +CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N WFE n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide +c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2 WFF 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 WFG 6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one +CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O WFJ 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid +c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O WFM (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(cc1F)F)C[C@@H](C(=O)O)N WFP 3,5-difluoro-l-phenylalanine +Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O WFS (2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol +c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O WFV (1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol +Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F WFY 4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide +C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O WG1 6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C WG4 n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O WG7 (3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid +c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O WG8 (4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid +CC1(CN(C[C@H]1O)c2c(cccn2)F)C WGA (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F WGD 1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine +COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2 WGG n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide +CC1(CN(C[C@@H]1O)c2c(cccn2)F)C WGM (3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol +CN(C)C(=O)CNc1ccccc1 WGP n,n-dimethyl-n~2~-phenylglycinamide +c1cc(c(nc1)NCC2CCOCC2)F WGS 3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine +CCOC(=O)c1c(csc1N)c2cccs2 WGT ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate +c1ccc(cc1)C#CCN2CCCCC2 WGV 1-(3-phenylprop-2-yn-1-yl)piperidine +CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5 WGX ~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide +CCC(=O)Nc1ccc(cc1)S(=O)(=O)N WGY n-(4-sulfamoylphenyl)propanamide +C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C WGZ 5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide +CN(CCc1ccccn1)C(=O)c2ccccc2 WH1 n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide +CC(C)Nc1cccnc1 WH4 n-(propan-2-yl)pyridin-3-amine +c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O WH6 2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid +C[C@@H](CNCc1c(cccc1Cl)Cl)O WH7 (2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N WHA 4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide +c1cc(ccc1CNCc2ccc(cc2)F)C#N WHD 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile +c1cc(sc1)C(=O)CCc2nnc(s2)N WHF 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one +c1conc1CN2CCNCC2 WHG 1-[(1,2-oxazol-3-yl)methyl]piperazine +COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F WHH 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid +C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O WHJ carmoterol +c1cc(cc(c1)F)CN2CCCS2(=O)=O WHM 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione +C[C@H](c1ccccc1Cl)NS(=O)(=O)C WHP n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide +Cc1csc(n1)NC[C@H]2CCCO2 WHS 4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine +c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br WHU 2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide +Cc1c(sc(n1)C)[C@@H](C)NC WHV (1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine +CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O WHW 9s,13r-12-oxophytodienoic acid +CN(C)Cc1ccc(cc1)C#N WHY 4-[(dimethylamino)methyl]benzonitrile +COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N WI2 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid +c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl WI4 n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine +Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6 WI5 {(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone +CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O WIA methyl 6-thio-beta-d-galactopyranoside +CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O WIN methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate +c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 (s)-2-chloro-3-phenylpropanoic acid +c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 (2r)-2-chloro-3-phenylpropanoic acid +C1COCCN1Cc2c(snn2)Cl WJ4 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine +CN(C)C(=O)c1ccc(cc1Br)F WJ7 2-bromo-4-fluoro-n,n-dimethylbenzamide +Cc1cc(no1)CS(=O)(=O)NC WJA n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide +COCC(=O)Nc1ccccc1 WJD 2-methoxy-n-phenylacetamide +COc1ccc(cc1)[C@@H](c2ccccc2)N WJG (s)-1-(4-methoxyphenyl)-1-phenylmethanamine +C[C@@H](Cc1ccc(cc1)Br)C(=O)N WJJ (2r)-3-(4-bromophenyl)-2-methylpropanamide +c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N WJM 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide +C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC WJP methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate +[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O WJS (2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid +Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2 WJV n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea +C[C@@H](C(=O)NCC(=O)O)S WJZ tiopronin +C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C WK1 (2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid +CN(C)C(=O)OCCn1ccnc1 WK4 2-(1h-imidazol-1-yl)ethyl dimethylcarbamate +c1cc(c(cc1C#N)F)N2CCNCC2 WK7 3-fluoro-4-(piperazin-1-yl)benzonitrile +CC(=O)Nc1cccc2c1non2 WKA n-(2,1,3-benzoxadiazol-4-yl)acetamide +C[C@H](C(=O)N)Oc1ccc(cc1)C#N WKD (2r)-2-(4-cyanophenoxy)propanamide +CC(=O)N1CCCC2(C1)CCCCCC2 WKG 1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one +c1cc(ccc1CN2CC[C@H](C2)O)Cl WKJ (3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol +CC(C)[C@@H](C(=O)N1CCOCC1)N WKM (2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one +COc1ccc(cc1)C(=O)C2CCNCC2 WKP (4-methoxyphenyl)(piperidin-4-yl)methanone +Cc1cc(nc(n1)C)N2CCNCC2 WKS 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine +CC(=O)NCc1cc(ccc1OC)Br WKV n-[(5-bromo-2-methoxyphenyl)methyl]acetamide +Cc1cnccc1NC(=O)C WKY n-(3-methylpyridin-4-yl)acetamide +COC(=O)c1ccc(cc1)S WL1 methyl 4-sulfanylbenzoate +c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O WL3 2-(4-fluorophenyl)carbonylbenzoic acid +CC(C)C(=O)Nc1cccc(c1)C#N WL4 n-(3-cyanophenyl)-2-methylpropanamide +CN(CCO)S(=O)(=O)c1ccc(cc1)N WL7 4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide +C1COCCC1CN2CCNCC2 WLA 1-[(oxan-4-yl)methyl]piperazine +C[C@@H](CNCc1c(cccc1Cl)Cl)O WLD (2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol +C1CC2(CC2)CN(C1)C(=O)COC(F)F WLG 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one +CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 WLH 2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one +c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F WLJ (azepan-1-yl)(2,6-difluorophenyl)methanone +COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2 WLL n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl WLM 5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide +c1ccc(c(c1)S)Cl WLP 2-chlorobenzene-1-thiol +c1cc(sc1)CNCc2ccncc2 WLS 1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine +C[C@H](C[C@@H](C(=O)O)NC)CO WLU (4r)-5-hydroxy-n-methyl-l-leucine +c1ccc(cc1)OCC(=O)Nc2cccc(c2)F WLV n-(3-fluorophenyl)-2-phenoxyacetamide +Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2 WLY 2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide +c1ccnc(c1)C(=O)N WM1 pyridine-2-carboxamide +C1CCC(CC1)C(=O)N WM2 cyclohexanecarboxamide +c1ccc(cc1)S(=O)(=O)NN WM3 benzenesulfonohydrazide +c1ccc(cc1)C(=O)NN WM4 benzohydrazide +c1ccc(cc1)CN[C@H]2CCNC2 WM7 (3s)-n-benzylpyrrolidin-3-amine +C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl WM9 (2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine +CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 WMA (3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione +C[C@H](c1ccccc1F)N2CCNCC2 WMD 1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine +C[C@@H](c1ccccc1F)N2CCNCC2 WMG 1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine +Cn1ccnn1 WMH 1-methyl-1h-1,2,3-triazole +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O WMJ 1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea +c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 WMM n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine +[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O WMP [(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C WMR 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine +Cc1ncc(s1)CNc2cc(cnc2)F WMS 5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine +Cc1c(c(on1)C)C(=O)NCCC2CCCCC2 WMV n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide +c1cc(cc(c1)Cl)C(=O)Nc2ccon2 WMY 3-chloro-n-(1,2-oxazol-3-yl)benzamide +COc1cccc(c1)C(=O)Nc2ccccc2F WN1 n-(2-fluorophenyl)-3-methoxybenzamide +Cc1cccc(n1)NC(=O)[C@@H]2CCCN2 WN4 n-(6-methylpyridin-2-yl)-l-prolinamide +C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O WN6 (2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid +Cc1cc(cnc1)NCc2ccncc2 WN7 5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine +Cc1ccccc1CNc2nnnn2C WNA 1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine +CC(C)(CNC1CCOCC1)O WND 2-methyl-1-[(oxan-4-yl)amino]propan-2-ol +c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2 WNG n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine +O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8 WNI ni-substituted alpha-keggin +c1ccnc(c1)NC[C@@H]2CCNC2 WNJ n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine +c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N WNM (3s)-1-(phenylsulfonyl)pyrrolidin-3-amine +c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4 WNN 4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide +c1cc(cc(c1)Cl)NC(=O)C(F)(F)F WNP n-(3-chlorophenyl)-2,2,2-trifluoroacetamide +CCCC(=O)Nc1cccnc1Cl WNS n-(2-chloropyridin-3-yl)butanamide +Cc1cccc(c1C)C(=O)N(C)C WNV n,n,2,3-tetramethylbenzamide +CC(=O)N1CCN(CC1)c2ccc(cc2)Cl WNY 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one +CN1CCC[C@H](C1)OC(=O)c2ccco2 WO1 (3r)-1-methylpiperidin-3-yl furan-2-carboxylate +[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O] WO2 octadecatungstenyl diphosphate +O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O WO3 tri-tungsten(vi) oxide complex +[O-][W](=O)(=O)[O-] WO4 tungstate(vi)ion +O[W](O)(O)(O)O WO5 tungstate(vi) ion +[O-][W](=O)([O-])[O-] WO6 trioxido(oxo)tungsten +CC(=O)N1CCCNCC1 WO7 1-(1,4-diazepan-1-yl)ethan-1-one +CN[C@H]1CCCN(C1=O)c2ccccc2 WOA (3s)-3-(methylamino)-1-phenylpiperidin-2-one +CC(C)(CC(=O)O)C(=O)O WOC 2,2-dimethylbutanedioic acid +C1CNC[C@@H]1c2nc(no2)C3CC3 WOD 3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole +COc1ccccc1c2cc(nc(n2)N)Cl WOE 4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine +CCCC/C(=C/COP(=O)(O)O)/C WOG (2e)-3-methylhept-2-en-1-yl dihydrogen phosphate +C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C WOJ (3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine +c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N WOM picloram +C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O WOO beta-l-allopyranose +CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4 WOP 5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3 WOS 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine +c1ccc(cc1)[NH3+] WOT phenylazanium +Cc1ccc(n1c2ccc(cc2C(=O)O)O)C WOV 2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid +Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C WOW 2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile +c1c2c(ncn1)NCC2 WOY 6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine +CC1(Cc2cccc(c2O1)C(=O)N)C WP1 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide +c1ccc(cc1)CN[C@@H]2CCNC2 WP4 (3r)-n-benzylpyrrolidin-3-amine +CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br WP5 methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate +CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl WP6 (4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline +CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl WP7 (4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline +CO[C@H](c1ccccc1)[C@@H](C(=O)O)N WPA (betar)-beta-methoxy-l-phenylalanine +c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1 WPC [29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O WPD (2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl WPE n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide +Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl WPF 3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N WPG (3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid +CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5 WPH 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC WPI 1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane +CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O WPJ (2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid +C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O WPL (1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid +Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C WPM n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O WPP piperacillin +Cc1c(c([nH]n1)N)C#N WPS 5-amino-3-methyl-1h-pyrazole-4-carbonitrile +c1c(cncc1Br)CN WPV 1-(5-bromopyridin-3-yl)methanamine +CC(=O)Nc1nccs1 WPY n-(1,3-thiazol-2-yl)acetamide +Cc1ccncc1CO WQ1 (4-methylpyridin-3-yl)methanol +Cc1nc(c(o1)N)C#N WQ4 5-amino-2-methyl-1,3-oxazole-4-carbonitrile +C1=CC(=O)N(C=C1)CCN WQ7 1-(2-aminoethyl)pyridin-2(1h)-one +c1c2c[nH]nc2ncc1N WQA 2h-pyrazolo[3,4-b]pyridin-5-amine +C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O WQD udp-4-deoxy-4-formamido-beta-l-arabinopyranose +c1ccc2c(c1)C(=O)NC=N2 WQG quinazolin-4(3h)-one +c1c(cnc2c1COCC2)N WQJ 7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine +CNC(=O)C1C=CC(=O)N=C1 WQM (3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide +CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O WQP 5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid +Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C WQQ 1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide +c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O WQS 2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid +CC(=O)NC1=CC(=CNC1=O)Br WQV n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide +c1ccc2c(c1)cc(cn2)CN WQY 1-(quinolin-3-yl)methanamine +C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 WR1 nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide +CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C WR2 (2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide +Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-] WR7 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate +CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C WRA 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine +CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C WRB 1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine +c1cc2c(c(c1)O)CCC[C@H]2N WRD (5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol +[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC WRG (2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid +c1ccc2c(c1)C=C(CO2)C(=O)N WRJ 2h-1-benzopyran-3-carboxamide +CNC(=O)Cn1cnc2c1cccc2 WRM 2-(1h-benzimidazol-1-yl)-n-methylacetamide +c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O WRO 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O WRP (betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan +C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRR 4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O WRS 4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one +Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO WRV n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea +Cc1c(cc2ccc(cc2n1)F)C(=O)NC WRY 7-fluoro-n,2-dimethylquinoline-3-carboxamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O WS1 6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS2 6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide +c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O WS3 5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine +Cn1cc(cn1)C(=O)Nc2ccc(cc2)O WS4 n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide +CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N WS6 (9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione +CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N WS7 (9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one +c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N WSA 5'-o-[(l-tryptophylamino)sulfonyl]adenosine +CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N WSD 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one +CCn1cc(cn1)NC(=O)c2ccc(cc2)F WSG n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide +Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5 WSH benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate +CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C WSJ n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide +CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O WSK (2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol +c1ccc2c(c1)N(C(=O)CO2)CCCN WSM 4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one +O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9 WSQ octamolybdate +CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC WSS tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium +c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O WST (3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol +Cc1nc(n(n1)CCC(=O)O)C WSY 3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid +C(C[C@@H](C(=O)O)N)CNC(=N)C=O WT2 (s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid +CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N WT4 n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine +CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WT7 5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine +CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O WTA 5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine +c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2 WTC 6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O WTD 2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F WTF [2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O WTG 2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide +c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N WTI 4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide +CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3 WTJ 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide +COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O WTM 2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl WTP 5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine +C[C@H]([C@](C)(C(=O)O)O)O WTZ (2r,3r)-2,3-dihydroxy-2-methylbutanoic acid +Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC WU1 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine +C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O WU4 (6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one +CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O WU7 (4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium +CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O WUA (4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium +c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O WUB (1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid +Cc1c([nH]c(n1)C)CN WUG 1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine +c1cc(oc1)CNC(=O)N WUJ n-[(furan-2-yl)methyl]urea +c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O WUL 8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one +CN(C)Cc1csc(n1)N WUM 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine +c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl WUN 2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1 WUP 5,15-diphenylporphyrin containing fe +Cc1[nH]c2c(n1)C[C@@H](CC2)N WUS (5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O WUV 5'-thiothymidine +c1ccc(cc1)NC(=O)NCCN WUY n-(2-aminoethyl)-n'-phenylurea +C[C@H](c1ccc(cc1)NC(=O)C2CC2)N WV1 n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide +CCNc1ccc(cc1F)S(=O)(=O)C WV4 n-ethyl-2-fluoro-4-(methylsulfonyl)aniline +c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F WV7 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol +c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F WVA 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one +Cc1c(scn1)C(=O)N2CCNC(=O)C2 WVD 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one +c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F WVH 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide +Cc1c(c([nH]n1)N)c2cccs2 WVI 3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine +C[C@H](C=C(C)C)[C@@H](C(=O)O)N WVL (2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid +C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1 WVP 5,15-bisethynyl-10,20-diphenylporphyrin containing fe +c1ccc(c(c1)c2cccc(c2)C(=O)O)F WVV 3-(2-fluorophenyl)benzoic acid +C[P@](=O)(OC1CCCCC1)F WW2 cyclohexyl (s)-methylphosphonofluoridoate +c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N WW3 4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide +c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN WW7 n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide +C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6 WW8 n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine +Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O WWF c2-1-hydroxy-3-methyl-butyl-thiamin +c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N WWL 5-(phenylsulfonyl)thiophene-2-sulfonamide +c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N WWV 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide +c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F WWX 2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide +c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F WWZ 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide +[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3 WX5 (2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide +[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O WXM 2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid +c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1 WXP 5,10,15-triphenylporphyrin cpntaining fe +CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C WXV n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide +Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl WY1 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid +c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O WY2 (6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid +c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3 WY3 7-hydroxy-4-(morpholinomethyl)chromen-2-one +c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O WY4 7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid +Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C WY5 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid +CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C WYD ~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide +Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYE (2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one +COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O WYF (2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one +C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1 WYP 5-ethynyl-10,20-diphenylporphyrin containing fe +CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C WYQ propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O WYV myristoyl coenzyme a +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O WZ1 methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O WZ2 methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O WZ4 methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside +CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C WZ6 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid +c1cnc(cc1C(=O)N)NC2CC=CC2 WZ7 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC WZA (9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate +CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C WZB (9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate +C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC WZC (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate +c1ccc2c(c1)[nH]c(n2)NCc3ccco3 WZD n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O WZG [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) +CC[C@@H](C)[C@@H](C(=O)O)NC WZJ n-methyl-l-alloisoleucine +CN(c1ccc(nn1)C(=O)N)C2CCC2 WZM 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide +C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC WZO [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate +CC(C)C(=O)N1CCN(CC1)C(C)C WZP 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one +CC(=O)N1CCC(CC1)NCCc2ccccc2 WZS 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one +c1ccc(cc1)COP(=O)(O)O WZT (phenylmethyl) dihydrogen phosphate +C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F WZV 5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide +COc1ccc(cc1)NC(=O)CN WZY n-(4-methoxyphenyl)glycinamide +COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O X 2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate +C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN X00 {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) +c1cc(c(cc1C#N)c2ncnc(n2)N)O X01 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile +C=CCNc1nc(c(s1)C(=O)c2ccccc2)N X02 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone +CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 X03 (5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O X04 (2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate +C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N X05 amino-castanospermine +c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O X06 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X07 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN X09 amino-australine +c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl X0A 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol +c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O X0B 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O X0D (r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid +C1CC1c2nc(on2)CN3CCOCC3 X0G 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine +CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6 X0J 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide +CC(=O)N[C@H]1Cc2ccccc2NC1 X0M n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide +CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC X0P 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid +c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N X0Q 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O X0R (r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid +CNS(=O)(=O)c1ccccc1Cl X0S 2-chloro-n-methylbenzene-1-sulfonamide +CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C X0T 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione +c1c2c(cc3c1OCCO3)sc(n2)N X0U 6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine +c1cc(c(cc1C(F)(F)F)N)N X0V 4-(trifluoromethyl)benzene-1,2-diamine +Cc1nc2cc(c(cc2s1)OC)OC X0W 5,6-dimethoxy-2-methyl-1,3-benzothiazole +[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O X0X beta-d-talopyranuronic acid +CN1c2c[nH]cc2C(=O)N(C1=O)C X0Y 1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione +c1ccc(c(c1)c2nc(nc(n2)N)N)O X11 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol +[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N X12 2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid +C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C X13 n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium +CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1 X14 (5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O X15 1,3-bisphosphoglyceric acid +Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N X16 n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4 X17 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one +CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1 X19 (5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide +Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C X1A n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide +CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C X1E (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid +CC(C)CC(=O)NCc1ccc2c(c1)OCO2 X1G n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide +COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O X1H [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone +CC(=O)N1Cc2ccc(cc2C1)N X1J 1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one +CNCc1cccc(n1)OC X1M 1-(6-methoxypyridin-2-yl)-n-methylmethanamine +Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 X1N 2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O X1P 1-o-phosphono-alpha-d-xylopyranose +CCCS(=O)(=O)CCC(=O)O X1R 3-(propylsulfonyl)propanoic acid +C(CS(=O)(=O)O)C(=O)O X1S 3-sulfopropanoic acid +[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O X1X alpha-d-talopyranuronic acid +C1CCC(CC1)N2CC[C@H](N[C@H]2O)O X1Y (2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C X20 tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C X21 tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N X22 (3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N X23 (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide +CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN X24 tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate +Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5 X25 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine +CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C X26 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C X27 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N X28 3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid +c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl X29 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol +c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN X2A (6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide +Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C X2C 4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl X2D 6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F X2E 6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O X2F 2-deoxy-2-fluoro-alpha-d-xylopyranose +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N X2G 4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N X2J 4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C X2K (3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N X2L (3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one +Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C X2M (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one +CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F X2N posaconazole +CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N X2O (2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid +C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O X2P (1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione +c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N X2S 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N X2V 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate +CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O X2W n-acetyl-l-glutamyl 5-phosphate +CC(=O)[C@@](C)(C(=O)O)O X2X (2s)-2-hydroxy-2-methyl-3-oxobutanoic acid +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O X2Y 2,4-di-o-sulfo-alpha-l-fucopyranose +CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C X30 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O X32 n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine +B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N X33 carborane inhibitor +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O X34 4-o-sulfo-alpha-l-fucopyranose +C=CCNc1nc(c(s1)C(=O)c2cccnc2)N X35 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N X36 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone +CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+] X37 4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium +c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl X39 4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide +c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N X3A [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone +Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X3G 4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate +CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O X3H pironetin +C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N X3J (2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid +CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O X3M (2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid +CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C X3P [(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate +Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F X3S 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide +c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl X3V 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O X3X bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate +c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F X3Y 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide +c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X40 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-] X41 1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate +c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X42 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X43 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N X44 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4 X45 (5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one +COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N X46 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4 X47 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +c1ccc(cc1)C2=NC(=O)C(=CC2)O X48 3-hydroxy-6-phenylpyridin-2(5h)-one +C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O X4A [(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl X4B 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C X4C 8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine +Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5 X4D 7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine +Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F X4G (3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol +c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X4M (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +c1cnc(cc1C(=O)N)Cl X4P 2-chloropyridine-4-carboxamide +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O X4S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anose +CN(C)c1ccnc(c1)N X4V n~4~,n~4~-dimethylpyridine-2,4-diamine +C1CCC(CC1)[C@@H]2C[C@@H](ON2)N X4Y (3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine +Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3 X4Z (3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide +CC(NCCCCN)(O)O X51 1-[(4-aminobutyl)amino]ethane-1,1-diol +CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N X52 n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide +CC(NCCCCNCCCN)(O)O X54 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol +COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3 X55 (2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one +CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N X57 (2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid +CC(=O)NCCCCN X5A n-(4-aminobutyl)acetamide +c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O X5D (2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C X5G 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol +c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S X5J (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C X5M (4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one +C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O X5S beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anosyl-(1->4)-4-thio-beta-d-xylopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X5Y tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N X62 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N X63 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide +c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-] X64 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N X65 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide +c1cc(c(cc1O)c2nc(nc(n2)N)N)O X66 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol +c1cc(c(cc1F)c2nc(nc(n2)N)N)O X67 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol +COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X69 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N X6A 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide +c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N X6B 4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O X6C (2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide +c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl X6D 6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine +Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C X6G 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6J tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5 X6K 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol +c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N X6L 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one +Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O X6M n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide +Cn1cccc1c2cccc(c2)C(=O)O X6P 3-(1-methylpyrrol-2-yl)benzoic acid +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6S tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X6V tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CNCc1cc(nn1C)c2ccccc2 X6W methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O X6X 2-amino-2-deoxy-alpha-d-galactopyranose +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O X6Y 2-o-sulfo-alpha-l-fucopyranose +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X71 tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate +c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N X72 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl X73 2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X74 tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl X75 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide +c1ccc(c(c1)C(=O)N)NCc2cccnc2 X76 2-[(pyridin-3-ylmethyl)amino]benzamide +CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4 X77 n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O X7A [(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4 X7D tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate +CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O X7E (4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O X7G 1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7J tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7M tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N X7O 5-amino-3-methyl-pyrrolidine-2-carboxylic acid +CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3 X7P tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate +C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5 X7V n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C X7Y 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC X81 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO X84 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3 X85 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 X86 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN X87 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide +c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2 X88 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide +c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl X89 1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole +[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O X8A [(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) +CC1=CC2=NNC(=O)N2c3c1cccc3 X8D 5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4 X8E 5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O X8G 1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O X8I 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C X8J 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C X8M ipratropium +CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8P (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C X8S (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium +c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O X8U 2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid +[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N X8V 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide +c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O X8W (2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one +c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O X8Y (1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol +C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O X8Z l-captopril +CCCCCCCCCCCCCCCCC(=O)O X90 heptadecanoic acid +C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O X92 ramiprilat +C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O X93 trandolaprilat +CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O X94 perindoprilat +c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O X95 (s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan +c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] X96 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide +c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5 X97 3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione +c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5 X98 1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one +c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F X99 2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione +Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] X9D 4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4 X9F n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine +Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O X9G 1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol +c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O X9I 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid +CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C X9J 3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide +Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6 X9M 4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide +Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C X9P 3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N X9Q {(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid +Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C X9S 3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C X9V 3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide +C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O X9X d-allitol +Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C X9Y 3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide +c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl XA0 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O XA1 {(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) +[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O XA2 (r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid +Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C XA4 (20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one +c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N XA6 (2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid +CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC XA7 tetrahexyl ammonnium +C[C@H]([C@@H](c1nccs1)N)O XAA (1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol +CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC XAC n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide +c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N XAD 9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N XAE 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine +Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F XAF 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol +CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O XAG n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N XAH 5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine +CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C XAJ ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate +c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N XAL [(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl XAM (1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside +c1[nH]c2c(n1)C(=O)NC(=O)N2 XAN xanthine +CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O XAO cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide +C(CN)CON XAP 3-aminooxy-1-aminopropane +c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N XAR [(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C XAT (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol +c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F XAV 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol +C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O XAX {[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum +Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O XAY 2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid +Cc1cc(n2c(n1)cc(n2)N)C XAZ 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine +CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C XB1 n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea +COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F XB7 1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4 XBA 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +C1C[C@H](CN=C1)N XBB (3s)-2,3,4,5-tetrahydropyridin-3-amine +CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C XBD 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one +C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O XBG (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid +CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O XBJ 4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol +C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O XBK 4,5-de-epoxypimaricin +Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4 XBL 6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine +CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl XBM n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide +O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5 XBO heptamolybdate +C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O XBP xylulose-1,5-bisphosphate +c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl XBR 3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid +B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O XBS 3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid +CC[C@@H](C)C1=NCCS1 XBT 2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O XBU methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate +c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F XBV (3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide} +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C XBY 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide +Cc1ccc(c(c1)C)C XBZ 1,2,4-trimethylbenzene +C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O XC [(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate +CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl XC1 n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide +c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6 XC2 (3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid +[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O XC3 [(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium +c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4 XC4 1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O XC5 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine +Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F XC7 3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C XCA (8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid +S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe] XCC fe(4)-ni(1)-s(4) cluster +Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C XCD 3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide +COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N XCF 5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine +c1ccc2c(c1)cc(o2)c3[nH]ccn3 XCG 2-(2-benzofuranyl)-2-imidazoline +Cc1cc(ccc1OCCCC(=O)NO)Cl XCH droxinostat +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O XCI [(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid +CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4 XCJ n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide +C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCL [(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C XCM 3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +C([C@@H](C(=O)O)N)SC#N XCN s-cyano-l-cysteine +O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O] XCO co-substituted beta-keggin +C1C[C@@H]([C@H](C1)N)C(=O)O XCP (1s,2s)-2-aminocyclopentanecarboxylic acid +C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCR [(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCS (1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol +C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N XCT 4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one +O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7 XCU cu-substituted alpha-keggin +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F XCV n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide +CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2 XCX 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid +c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XCY {5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate +Cc1ccnc(n1)S(=O)(=O)N XCZ 1.7.6 4-methylpyrimidine-2-sulfonamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C XD1 (2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O XD2 (2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid +Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C XD4 [(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate +c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N XD5 [(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate +c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O XD6 (5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde +C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XD9 (4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid +CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O XDA 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate +c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N XDD n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine +CNC[C@H](c1ccc(c(c1)O)O)O XDE 4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol +CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl XDH 4,4'-propane-2,2-diylbis(2,6-dichlorophenol) +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br XDI 4,4'-propane-2,2-diylbis(2,6-dibromophenol) +c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N XDJ n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine +c1cc(cnc1)c2ccnc(n2)N XDK 2-amino-4-pyridyl-pyrimidine +C1C[C@@H](C(=O)NC1)O XDL xylose-derived isofagomine lactam +CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C XDM ~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide +C1[C@H](C([C@H](CN1)O)O)O XDN piperidine-3,4,5-triol +C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O XDP d-xylulose-2,2-diol-1,5-bisphosphate +CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O XDR hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate +CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO XDS (5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione +CC([C@H](C(=O)O)N)OC XDT o-methyl-d-allothreonine +C(COCCOCC(=O)N)N XDV 2-[2-(2-aminoethoxy)ethoxy]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O XDX (2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid +CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N XDY n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine +[Xe] XE xenon +N(P(NP(=O)(O)O)(O)O)P(=O)(O)O XE1 n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid) +C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O XE4 1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z) +Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F XE7 3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide +C1CON[C@@H]1C#N XEA (3r)-1,2-oxazolidine-3-carbonitrile +CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N XEB 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine +CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O XED dextrofloxacine +c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O XEG (2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate +C[C@H](CC(=O)N)N XEJ (3r)-3-aminobutanamide +CCCCN1CCCC(=C1)C(=O)N XEN 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide +c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O XES {(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid +COc1cccc(c1)c2cccc(c2)C(=O)O XEV 3-(3-methoxyphenyl)benzoic acid +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4 XEY 2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4 XEZ 6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N XF1 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile +c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O XF4 (5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione +c1cc2c(cc[nH]2)c(c1)N3CCNCC3 XF5 4-(piperazin-1-yl)-1h-indole +c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl XF7 (5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione +CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl XFA 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide +C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O XFC 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde +c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5 XFD 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile +Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N XFE (3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine +[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O XFG 3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron +Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C XFH 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine +C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O XFI n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C XFL 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) +Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine +Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) +[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O XFP 3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O XFS 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +C1CS(=O)(=O)C1 XFV 1lambda~6~-thietane-1,1-dione +C(CC(N)N)[C@@H](C(=O)O)N XFW (2s)-2,5,5-tris(azanyl)pentanoic acid +CCCCn1cc2c3ccccc3nc(c2n1)N XG1 2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine +c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N XG4 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine +c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N XGA 6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one +CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC XGD 4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide +CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O XGH 2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide +C1N[C@H](NN1)N XGJ (3s)-1,2,4-triazolidin-3-amine +c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGL [(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +CCC(=O)NO XGM n-hydroxypropanamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O XGP 1-o-phosphono-beta-d-glucopyranose +c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N XGR [(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1CS(=O)(=O)N1 XGS 1lambda~6~,2-thiazetidine-1,1-dione +c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N XGU 2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one +c1cc(nnc1)N XGV pyridazin-3-amine +CN1C[C@H](NC1)N XGY (4s)-1-methylimidazolidin-4-amine +CC(C)NC(=O)N XH1 n-propan-2-ylurea +C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O XH2 (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid +C1CNN[C@@H]1CO XH4 [(3r)-pyrazolidin-3-yl]methanol +C1CSC[C@H]1C(=O)O XH7 (3r)-thiolane-3-carboxylic acid +c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N XH8 7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2- +CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O XHA 2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide +C(C#N)C(=O)N XHD 2-cyanoacetamide +C1C[C@@H](OC1)CN XHG 1-[(2r)-oxolan-2-yl]methanamine +C1CNN[C@@H]1N XHJ (3s)-pyrazolidin-3-amine +Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F XHM 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile +C=C1CN=C2C(=N1)C(=O)NC(=N2)N XHP 2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one +CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHS 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine +CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC XHV 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine +Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O XHY 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid +c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N XI1 n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide +C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F XI2 6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine +c1ccc(cc1)C(=O)CC(=O)C(=O)O XI7 2-4-dioxo-4-phenylbutanoic acid +CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C XIA (2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid +C1CNC[C@H]([C@@H]1O)O XIF piperidine-3,4-diol +COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O XIG 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid +CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C XIH 2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile +C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O XIL (3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside +c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O XIM 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol +CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 XIN methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate +c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O XIS 4-diphenylphosphanylbenzoic acid +c1([nH]nc(n1)N)N XIX 3,5-diamino-1h-[1,2,4]triazole +c1ccc2c(c1)[nH]c(n2)CO XIY 2-hydroxymethyl-benzoimidazole +c1cnccc1\C=C\C(=O)O XIZ (e)-pyridin-4-yl-acrylic acid +c1c(cnc(n1)N)\C=C\C(=O)O XJ0 (e)-3-(2-amino-pyridine-5yl)-acrylic acid +c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O XJ1 (2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid +CNC[C@H](CN1CCCc2ccccc2C1)O XJ2 (2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol +Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ3 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C XJ4 n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O XJ7 (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O XJ8 n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide +CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O XJA (2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate +CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN XJD (10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate +Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O XJE [(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2 XJG 1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone +c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N XJH 6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine +C1CNC(=O)CN1 XJJ piperazin-2-one +Cc1[nH]nnn1 XJM 5-methyl-1h-tetrazole +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C XJO (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate +C1[C@@H](N[C@@H](S1)N)N XJP (2s,4r)-1,3-thiazolidine-2,4-diamine +CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O XJS 2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate) +C1CNC(=O)N1 XJV imidazolidin-2-one +CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C XJX onalespib +B(C1CCC1)(O)O XJY cyclobutylboronic acid +C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC XK0 (4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine +C1[C@H](NCO1)CN XK1 1-[(4r)-1,3-oxazolidin-4-yl]methanamine +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O XK2 [4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one +CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N XK3 4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid +C1CON[C@H]1N XK4 (3r)-1,2-oxazolidin-3-amine +C1CC1(C(=O)N)N XK7 1-aminocyclopropane-1-carboxamide +C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] XK9 n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide +Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O XKA [2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone +C[C@H](C(=O)NC)N XKD n-methyl-d-alaninamide +Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C XKG (2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one +CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XKJ dodecyl beta-d-glucopyranoside +CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O XKL 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide +CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN XKP (11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate +C1C(CN1)O XKS azetidin-3-ol +CC[C@@H](C(=O)N)N XKV (2r)-2-aminobutanamide +C1[C@H](NCN1)C#N XKY (4s)-imidazolidine-4-carbonitrile +CCS XL1 ethanethiol +C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C XL2 2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide +CCCS XL3 propane-1-thiol +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F XL5 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide +CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C XL6 n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F XL7 n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide +CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl XL8 n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide +CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl XL9 n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide +B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O XLB 3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid +CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl XLC 3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide +CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4 XLD 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide +C1[C@H]([C@@H]([C@](O1)(CO)O)O)O XLF beta-d-xylulofuranose +CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O XLI n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide +CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O XLN n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O XLO 3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid +c1cc2c(cc1C(=O)O)scn2 XLP 1,3-benzothiazole-6-carboxylic acid +C([C@H]([C@@H]([C@H](C=O)O)O)O)O XLS d-xylose +Cc1c(noc1N)C XLV 3,4-dimethyl-1,2-oxazol-5-amine +C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O XLX 4,4'-(ethylenediimino)bis[4-oxobutyrate] +C[C@H]1CNc2ccccc2C(=O)N1 XLY (3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one +c1ccc2c(c1)CC(C2)N XM0 indan-2-amine +c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl XM1 (2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine +C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C XM2 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide +Cc1cc(ccc1NC(=O)C)Cl XM4 n-(4-chloro-2-methylphenyl)acetamide +CN1c2c(ccc3c2OCO3)C(=CC1=O)OC XM5 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one +COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O XM7 5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine +COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl XMA (-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5 XMB 4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6 XMC 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine +CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMD (2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO XME 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO XMF 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5 XMG 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid +CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl XMH 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5 XMI 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl XMJ 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone +c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl XMK 1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine +c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br XMM 5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside +c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O XMP xanthosine-5'-monophosphate +Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl XMQ 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl XMS (3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O XN1 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide +C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O XN2 n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide +CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6 XN3 n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide +C(CO)NCC(=O)NCCO XN7 n,n~2~-bis(2-hydroxyethyl)glycinamide +Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNA n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5 XNB n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine +Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O XNC (11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O XND (11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +CCCCCCCCCC(=O)NCCCC(=O)O XNG 4-(decanoylamino)butanoic acid +C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C XNH (3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one +CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C XNI (11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5 XNJ n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide +c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O XNL (1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol +c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl XNM (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone +CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6 XNN n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N XNP tricyclic nadph +COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O XNS methyl ester octyl alpha-1o-d-mannopyrannoside +CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C XNV ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate +COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O XNW (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid +c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N XNY [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate +CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O XNZ (11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one +c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3 XO3 5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one +c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4 XOC n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide +c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O XOD (1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol +C/C(=C\C=O)/CC/C=C(\C)/C=O XOG (2e,6e)-2,6-dimethylocta-2,6-dienedial +CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC XOJ 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea +CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S XOK (2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid +Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 XOM (2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O XOP 8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate +c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O XOS 3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid +Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O XOU (2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4 XOV (2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one +Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O XOY (r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid +c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4 XP0 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine +CN(C)c1ccc(cc1)C(=O)O XP1 4-(dimethylamino)benzoic acid +CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC XP4 1,2-dimyristoyl-sn-glycero-3-phosphate +CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC XP5 (4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide +c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3 XP7 (5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O XP8 o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine +C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O XP9 o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine +CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC XPA 1,2-didecanoyl-sn-glycero-3-phosphate +c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O XPB o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate +C1[C@@H]([C@H](CN1)N)C(=O)O XPC (3s,4r)-4-aminopyrrolidine-3-carboxylic acid +c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2 XPD 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one +C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O XPE 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol +CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N XPF n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide +CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O XPG 7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid +c1ccc(cc1)C[C@@H](N)P(=O)(O)O XPH [(1s)-1-amino-2-phenylethyl]phosphonic acid +CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O XPJ 1-deoxy-1-(methylamino)-d-allitol +C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N XPL n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine +CCCCCCCCCCCCCCC(C(=O)O)C(=O)O XPM tetradecylpropanedioic acid +C(=O)OP(=O)(O)O XPO formyl phosphate +Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C XPP hydroxypyrrole-imidazole-pyrrole polyamide +C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O XPR (2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid +CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O XPS 6-deoxy-6-(methylamino)-d-galactitol +CCCS(CCC)(CCC)Cl XPT 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane +c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O XPV (6-phenyl-1-benzofuran-3-yl)acetic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC XPX (2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate +Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N XPY 5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide +Cc1c2ccc(cc2[nH]n1)O XQ0 3-methyl-1h-indazol-6-ol +COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O XQ1 [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid +C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O XQ4 (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name) +c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O XQ7 (1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol +CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 XQ9 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C XQA udp-di-n-acetyl-alpha-bacillosamine +[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O XQB 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid +CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O XQC 4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol +C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O XQD [(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate +CSc1c2c([nH]cn2)ncn1 XQG 6-methylsulfanyl-9h-purine +COC(=O)Cc1cc(cc(c1)O)O XQI methyl 2-(3,5-dihydroxyphenyl)ethanoate +Cc1cccc(c1)I XQJ 1-iodo-3-methylbenzene +Cc1c(c([nH]n1)c2ccno2)C(=O)OC XQK methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate +Cc1ccc(cc1)I XQM 1-iodo-4-methylbenzene +CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XQO 2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O XQP (2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid +CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4 XQV n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide +CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6 XR1 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one +Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C XR2 1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C XR4 n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) +CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC XR7 n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide) +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5 XR8 5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide +COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4 XRA 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine +CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl XRD clobetasol propionate +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O XRF 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione +[H]/N=C(\NC)/NC(=O)NC XRG 1-methyl-3-(n-methylcarbamimidoyl)urea +CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC XRJ 2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4 XRM 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N XRO 5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3 XRP 3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole +C[C@H](CCOc1nccn1C)N(C)C XRS (2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine +c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F XRV 7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +C[C@H](CCOC(=O)N(C)C)N(C)C XRX 3-(dimethylamino)butyl dimethylcarbamate +c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N XS1 7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O XS2 methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside +CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC XS4 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea +C(CCC(=O)NO)CCNCCCN XS6 6-[(3-aminopropyl)amino]-n-hydroxyhexanamide +B(CC[C@H](C(=O)O)NCCN)(O)O XSA (2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid +c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N XSD 7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N XSG 7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine +B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O XSM (2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid +C([C@@H](C(=O)N)N)C(=O)O XSN l-alpha-asparagine +C(=O)[C@H](C(=O)O)OP(=O)(O)O XSP (2r)-3-oxo-2-(phosphonooxy)propanoic acid +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F XSS 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F XSV 1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7 XSY (1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4 XT0 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT1 (2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid +C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O XT2 (2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4 XT3 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C XT4 tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate +Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XT5 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5 XT7 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C XT8 (2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O XTA (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-] XTC (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide +c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl XTD {2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone +CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O XTF [(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O XTG 4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside +CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O XTH 1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione +c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTJ (3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate +Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O XTK 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile +CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O XTL [(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +C1=NC2=C(C(=O)N=C(N2)N)NC1=O XTN 2-amino-1,5-dihydropteridine-4,6-dione +c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO XTP benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O XTR [(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate +c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O XTS 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione +c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 XTV 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile +c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl XTW 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol +Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O XTY (1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol +c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4 XTZ 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1ccc2c(c1)-c3cccnc3NC2=O XU1 benzo[c][1,8]naphthyridin-6(5h)-one +c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4 XU2 n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl XU3 (2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO XU4 n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl XU5 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +B(CCC(C(=O)O)N)(O)O XU7 (2s)-2-amino-4-boronobutanoic acid +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O XUA 2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate) +C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O XUG 2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) +B(CC[C@H](C(=O)O)N)(O)O XUJ (2r)-2-amino-4-boronobutanoic acid +C([C@H]([C@@H](C(=O)CO)O)O)O XUL d-xylulose +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC XUP diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N XUS diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XUV diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate +c1ccc(c(c1)Cc2ccc3cccnc3c2O)F XV1 7-(2-fluorobenzyl)quinolin-8-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC XV4 n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide +c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O XV6 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide] +c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O XV7 9h-fluorene-2,7-disulfonate +c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F XVD 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol +c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2 XVE phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate +CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O XVG 1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVJ diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XVM diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVP diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O XVR (5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC XVS diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5 XVV diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO XVY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +CCOC(=O)CCCC[C@@H](C(=O)O)N XW1 (2s)-2-amino-7-ethoxy-7-oxoheptanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5 XW4 diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl XWG (3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione +Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N XWJ n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide +Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N XWP n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide +c1ccc(cc1)N2CC[C@H](N[C@H]2O)O XWS (2r,4r)-1-phenylhexahydropyrimidine-2,4-diol +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C XWV 5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline +C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C XWW n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C XWY (3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine +c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl XX0 2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide +c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N XX1 n~6~-7h-purin-6-yl-l-lysine +C1=CC(=O)[C](C=C1[N+](=O)[O-])O XX2 1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized +C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO XX3 (1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene +CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4 XX4 3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide +CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O XX5 (s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid +c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O XX6 2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O XX7 2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol +Cc1ncc(c(n1)N)Cc2cccc(c2)CO XX8 {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol +CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl XX9 n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide +C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O XXA 2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid +CCCCn1c(ccn1)C(=O)O XXB 1-butyl-1h-pyrazole-5-carboxylic acid +c1ccc(cc1)CCCCCCC(=O)O XXC 7-phenylheptanoic acid +C(C[C@@H](CO)O)CO XXD (2s)-pentane-1,2,5-triol +c1ccn(c1)c2ccnc(c2)C(=O)O XXE 4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid +C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O XXG 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid +c1cc(ccc1C=O)[N+](=O)[O-] XXH 4-nitrobenzaldehyde +c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O XXJ 4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide +c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1 XXK 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol +CCOC(=O)CN1c2ccccc2OCC1=O XXL ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate +C1[C@@]([C@H]([C@H](O1)O)O)(CO)O XXM 3-c-(hydroxylmethyl)-alpha-d-erythrofuranose +c1cc(oc1)c2cc(ccn2)C(=O)O XXO 2-(furan-2-yl)pyridine-4-carboxylic acid +C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-] XXP 2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O XXR alpha-d-rhamnopyranose +C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C XXS 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole +C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2 XXT [(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate +C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N XXV 1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide +C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N XXX (1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside +C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O XXY 2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate +c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N XXZ 1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine +c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN XY1 4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid +CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-] XY2 n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine +Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO XY3 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide +CC(C)NC(=O)Nc1ccccc1 XY4 n-phenyl-n'-propan-2-ylurea +c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O XY5 2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal +C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F XY7 1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N XYA 2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol +C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O XYB 4-o-beta-d-xylopyranosyl-beta-d-xylopyranose +C1CCC(C1)C[C@@H](C(=O)O)N XYC (2~{s})-2-azanyl-3-cyclopentyl-propanoic acid +Cc1ccc(c(c1)N)C XYD 2,5-dimethylaniline +[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O XYF 5(r)-fluoro-beta-d-xylopyranose +[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O XYG [(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid +[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O XYH xylarohydroxamate +CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C XYJ 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide +C([C@@H](C([C@@H](CO)O)O)O)O XYL xylitol +C(C(=O)O)S/C=C(/C(=O)O)\O XYM (2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid +C(C(=O)C(=O)O)SCC(=O)O XYN 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid +C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O XYP beta-d-xylopyranose +CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O XYQ (2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate +C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O XYS alpha-d-xylopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O XYT cellobiose-6-phosphate +CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F XYW 2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide +Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl XYY (3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid +C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O XYZ beta-d-xylofuranose +COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F XZ1 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol +CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O XZ2 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide +COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O XZ4 methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate +C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F XZ7 runcaciguat +CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C XZ8 4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one +C(=O)(NN)O XZA diazanecarboxylic acid +CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F XZB n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide +CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C XZD phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester +c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7 XZM n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide +CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl XZN 4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile +C1C[C@H]([C@@H](C1)N)C(=O)O XZP (1r,2r)-2-aminocyclopentane-1-carboxylic acid +Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F XZS n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl XZV 4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide +c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl XZY 4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +CC1=CC(=O)Oc2c1cc(c(c2)O)Cl XZZ 6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one +c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O Y 2'-deoxy-n6-(s)styrene oxide adenosine monophosphate +C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O Y00 dobutamine +CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C Y01 cholesterol hemisuccinate +Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C Y02 (2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide +c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O Y03 (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl Y04 (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O Y06 (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O Y07 [2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O Y08 (e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O Y09 (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid +CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y0A n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y0D n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0G n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4 Y0J n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N Y0R 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide +c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I Y0V 2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid +COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O Y0X 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) +COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 Y0Y 4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide +[Y+2] Y1 yttrium ion +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O Y10 (e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y11 n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2 Y12 4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate +c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O Y13 (2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide +c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4 Y14 n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 Y15 n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O Y16 (e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O Y17 5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O Y18 5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one +CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O Y19 1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol +CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1A 4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F Y1D n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O Y1G (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y1J n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3 Y1M n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide +CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3 Y1N 2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid +COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2 Y1P 4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y1S 4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C[C@H](C[C@@H](C(=O)O)N)CN Y1V (4r)-5-amino-l-leucine +COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O Y1W (1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol +Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O Y1Y 3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid +Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 Y1Z 2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide +C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O Y21 (3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid +c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F Y22 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid +C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O Y24 1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) +C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N Y27 (r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide +c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O Y28 o-benzyl-n-(carboxycarbonyl)-d-tyrosine +C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O Y2A (2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F Y2B 6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4 Y2D 1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one +Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F Y2F 6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC Y2G n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl Y2J 4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 Y2M n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide +C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O Y2P 2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F Y2V 4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide +C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O Y2Y (3s,4r)-3-amino-4-hydroxyheptanedioic acid +CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O Y3 4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid +CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O Y30 3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid +c1c(cncc1Br)C(=O)O Y31 5-bromopyridine-3-carboxylic acid +c1c2c(c(s1)C(=O)O)OCCO2 Y34 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid +[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O Y35 (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-) +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C Y36 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O Y37 (1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid +CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 Y38 n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine +CCCCCCCCC[C@H]1C[C@@H]1C(=O)O Y39 (1s,2s)-2-nonylcyclopropanecarboxylic acid +c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2 Y3A n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O Y3D (1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid +C#CC1=CNC(=O)NC1=O Y3G 5-ethynylpyrimidine-2,4(1h,3h)-dione +c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N Y3J 5,5-difluoromethyl adenosine +CC(=O)Nc1nc2ccc(cc2s1)Cl Y3L n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide +CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5 Y3M ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate +C(=C(/C(=O)O)\O)\C(=O)O Y3P (~{z})-2-oxidanylbut-2-enedioic acid +C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F Y3S (2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide +CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O Y3U [(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C Y3V (2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide +C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2 Y3Y (2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3 Y41 3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 Y44 n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide +c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N Y46 n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide +Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 Y47 4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide +c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O Y49 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y4D (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y4J (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN(C)S(=O)(=O)Nc1ccc(cc1)Cl Y4L ((4-chlorophenyl)sulfamoyl))dimethylamine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y4P (1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y4V (1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C Y50 e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y51 (1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC Y52 methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5 Y54 5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide +c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O Y55 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione +CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1 Y57 n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C Y5D {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C Y5G {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile +C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl Y5H 3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium +COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl Y5J 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4 Y5L 4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 Y5M 7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one +C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O Y5P 1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y5S (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O Y5V 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide +CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C Y5Y cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4 Y61 n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y64 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O Y67 2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide +CCOCCOCCOCCCCCCCCCCC=O Y69 11-[2-(2-ethoxyethoxy)ethoxy]undecanal +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5 Y6A 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5 Y6D 2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5 Y6G 2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide +c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5 Y6J ~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide +c1cc2c(cc1O)NC(CC2)O Y6M (2r)-1,2,3,4-tetrahydroquinoline-2,7-diol +Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O Y6P 7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid +c1cc(cc2c1cc([nH]2)C(=O)O)I Y6S 6-iodanyl-1~{h}-indole-2-carboxylic acid +c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4 Y6V ~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide +C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O Y6W [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate +Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5 Y6Y 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine +c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O Y70 s-pomalidomide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3 Y71 (1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C/C(=C/COP(=O)(O)O)/CCN=[N]=N Y77 [(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate +CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C Y7D (2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3 Y7G (1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3 Y7M (1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN Y7N 5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O Y7S (1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid +c1cc(cc(c1)I)F Y7V 1-fluoranyl-3-iodanyl-benzene +COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC Y7Y methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate +COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4 Y80 4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4 Y81 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one +CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4 Y83 tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate +c1ccc2c(c1)cccc2F Y84 1-fluoranylnaphthalene +c1cc(ccc1F)Br Y87 1-bromanyl-4-fluoranyl-benzene +CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl Y8A 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline +c1cc(ccc1F)I Y8D 1-fluoranyl-4-iodanyl-benzene +CCCCc1cccs1 Y8G 2-butylthiophene +c1cc(c(cc1Br)Br)O Y8I 2,4-bis(bromanyl)phenol +CCCCc1cccnc1 Y8J 3-butylpyridine +CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4 Y8L 3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one +c1ccc(cc1)CCCc2ccc(cc2)N Y8M 4-(3-phenylpropyl)aniline +Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O Y8P (3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8S (1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2 Y8V (1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y8Y (1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2 Y91 (1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C Y94 2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N Y95 5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O Y96 5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide +Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5 Y97 5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide +Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3 Y9A ~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine +c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F Y9B 4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide +c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O Y9Y paranitrophenyl-alpha-l-galactopyranoside +CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O Y9Z 5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine +CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA1 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YA2 (1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C YA3 2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide +C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O YA4 [(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid +C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C YA7 n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide +c1ccc(cc1)C(=O)/C=C\CCC(=O)O YAC (4z)-6-oxo-6-phenylhex-4-enoic acid +c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4 YAD (phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate +COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O YAG 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol +CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3 YAJ ~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide +CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O YAK n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide +CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C YAM n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide +c1ccc(c(c1)Cl)Cl YAN 1,2-dichlorobenzene +c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YAP 5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine +CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O YAS ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate +c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl YAU n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide +Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O YAV 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid +c1cc(c(cc1/C=C/C(=O)O)Cl)O YAZ (2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid +[Yb+3] YB ytterbium (iii) ion +[Yb+2] YB2 ytterbium (ii) ion +CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC YB4 ~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide +Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F YB7 ~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F YBA ~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide +c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl YBD ~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide +CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC YBG 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol +c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O YBH 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid +COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4 YBN 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate +c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O YBS [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone +C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO YBT bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium +c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O YBY n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO YC1 [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol +c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I YC2 n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid +c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O YC8 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid +Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O YCD (4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid +[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO YCF (2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide +Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 YCG [5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone +Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4 YCJ (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone +[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YCL 2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +C([C@@H](C(=O)O)N)SCC(=O)N YCM s-(2-amino-2-oxoethyl)-l-cysteine +C1CNCCNCCNCCN1 YCN 1,4,7,10-tetraazacyclododecane +c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2 YCO 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one +C1CCN[C@@H](C1)C(=O)O YCP (2s)-piperidine-2-carboxylic acid +C[C@H](C(=O)N)Oc1ccc(cc1)Br YCS (2~{r})-2-(4-bromanylphenoxy)propanamide +Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC YCU 1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea +CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O YCV 2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide +COc1ccc(cc1)S(=O)(=O)Nc2ccccc2 YCY 4-methoxy-~{n}-phenyl-benzenesulfonamide +c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl YD1 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione +Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD3 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one +Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5 YD4 4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione +CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C YD7 ~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide +Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C YD8 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone +CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6 YDA 1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide +CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O YDD [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate +CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N YDI 5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide +c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N YDJ 5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide +c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3 YDK 2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide +CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C YDP (3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O YDR 6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose +C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O YDY (2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide +C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC YDZ [[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate +CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O YE1 [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O YE2 [[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate +CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl YE4 n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide +CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C YE5 1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone +c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl YE6 5-(2-chlorophenyl)furan-2-carbohydrazide +c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN YE7 imidazo[2,1-a]isoquinoline-2-carbohydrazide +CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O YED (3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone +C1CCC(C1)O YEG cyclopentanol +CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4 YEJ 8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C YEM n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide +CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N YEN n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide +C(CO)C(CCO)C(CO)(CO)CO YES 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol +Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4 YET 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine +CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C YEV (2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide +CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4 YEX 5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one +c1cc([nH]c1)c2ccc3c(c2)OCCO3 YEY 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole +Cc1cnc(nc1N)C YF1 2,5-dimethylpyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C YF2 n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide +Cc1ncc(c(n1)N)CNC(C)CS YF3 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol +CCN(C)Cc1cnc(nc1N)C YF4 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine +CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C YF6 n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O YF7 [(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6 YFA (2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide +CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C YFB amorfrutin b +CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC YFD amorfrutin 2 +CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C YFE amorfrutin 1 +[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O YFF 2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid +c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4 YFG 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one +CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC YFP 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol +CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N YFS n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide +CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N YFV 5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine +CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 YFY (2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC YG wybutosine +CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO YG1 n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide +CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O YG4 [(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N YG7 5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide +c1ccc(cc1)CCSc2cnn[nH]2 YGG 5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole +c1ccc(cc1)CCOc2ccc(cc2)O YGJ 4-(2-phenylethoxy)phenol +c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N YGL 2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one +C=CCCc1ccccc1 YGM (but-3-en-1-yl)benzene +CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O YGP 5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine +CC(=C)Cc1ccccc1 YGS (2-methylprop-2-en-1-yl)benzene +CSc1ccccc1Cl YGV 1-chloro-2-(methylsulfanyl)benzene +C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4 YGY cryptophycin 52 +[OH2][Y+2] YH yttrium ion, 1 water coordinated +c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH1 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one +c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N YH2 4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile +Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH3 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH4 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N YH5 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one +Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N YH6 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one +C1=NC2=C(NC(=S)N=C2N1)N YH7 6-amino-1,9-dihydro-2h-purine-2-thione +B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O YHD n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide +CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C YHI benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate +c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO YHJ benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate +C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N YHO (1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol +CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F YHP n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide +Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F YHV 4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] YHX 4-nitroquinoline 1-oxide +Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F YHY n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide +COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl YI0 4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+] YI1 [4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium +CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O YI2 (1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol +CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C YI3 (1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C YI4 (1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol +COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl YI5 4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol +CCOc1ccc(cc1)CC(=O)O YI6 2-(4-ethoxyphenyl)ethanoic acid +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3 YIC (2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid +c1cc(ccc1Cc2[n-]nnn2)Cl YIE 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene +c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl YIH 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br YIN (6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O YIO 1-thio-beta-d-galactopyranose +c1cc(cc(c1)Cl)OCc2n[n-]nn2 YIP 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene +C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3 YIQ (e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide +[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-] YIR (e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide +CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO YIS 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea +CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC YIT n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide +CCCCNC=O YIV n-butylformamide +CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C YIW 1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C YIX 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea +CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F YIY (1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea +Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN YJ1 n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl YJ2 (2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide +CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC YJ4 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC YJ7 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl YJ8 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl YJ9 (2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide +CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO YJA 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide +[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl YJC (4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide +CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O YJD 4-(2-propan-2-yloxybenzimidazol-1-yl)phenol +Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl YJG 2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide +Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5 YJJ n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O YJM 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose +C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N YJS 3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide +Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3 YJW 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol +c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4 YJX 1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC YK1 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F YK2 [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC YK4 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC YK7 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide +CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O YK8 20alpha-hydroxy-20-(5-methylhexyl)cholesterol +c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4 YK9 4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKA (1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4 YKB n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5 YKC n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F YKD (1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6 YKE n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide +Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O YKG [(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6 YKI 1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide +c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5 YKJ 2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKM (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F YKN 2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole +C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YKP (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO YKR 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKS (1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F YKV (1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YKY (1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4 YL2 ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid) +Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O YL3 ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O YL4 [(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid +Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL5 [(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid +Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O YL6 [(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F YL7 (1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid +C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLA (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride +CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLB 5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine +C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLC 5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLD (1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@@H]1c2ccccc2CCN1 YLG (1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F YLJ (1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O YLL (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLM (1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4 YLO 1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole +CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N YLP (s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride +Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O YLQ 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F YLS (1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YLV (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N YLY (2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F YM1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid +CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3 YM2 1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one +CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2 YM3 ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate +Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br YM4 6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine +c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO YM5 (3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol +c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN YM6 1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine +c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3 YM7 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile +C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N YM8 (r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile +C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O YMA 7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMD (1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C YMG (1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMJ (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO YML [(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid +CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMM (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YMP o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMS (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3 YMV (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F YMX entrectinib +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YMY (1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O YMZ mefloquine +CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O YN1 (1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid +CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4 YN4 ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl) +C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C YN7 5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide +CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O YNA n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide +CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O YNC tetradec-13-ynoic acid - coa thioester +CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O YND n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide +Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5 YNE 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole +Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N YNG 7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide +CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3 YNJ 7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid +CN[C@@H](Cc1ccc(cc1)O)C(=O)O YNM n-methyl-l-tyrosine +C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC YNP cryptophycin 1 +[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C YNS 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide +C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC YNU eplerenone +C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C YNV 17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one +COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N YNY methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate +c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N YO1 4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide +C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C YO3 yo3-biotin +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O YO5 (1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol +c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N YO7 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name) +CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O YOA 5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine +CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YOD (1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide +c1cc(c(cc1C[C@@H](C(=O)O)N)F)O YOF 3-fluorotyrosine +CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO YOG 1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate +c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O YOJ 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O YOK [[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O YOL [[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2 YOM 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron +C1=CNC(=O)C(=C1)C[C@@H](CO)N YOP 3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one +COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F YOS [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid +CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl YOV 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one +CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O YOY [[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O YP1 2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile +C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F YP4 n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine +c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F YP6 2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide +CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O YPA (s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid +CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC YPC s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine +c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O YPE 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate +c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O YPF 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate +c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N YPG [3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid +c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O YPH 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea +c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6 YPM (1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide +c1cc(ncc1Cl)SCCO YPN 2-[(5-chloro-2-pyridyl)sulfanyl]ethanol +CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O YPP hydrolyzed piperacillin +COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4 YPR (4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline +CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 YPS (1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide +N[Pt+2](N)([I-])[I-] YPT cis-diamino(diiodo)platinum +C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N YPW 2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide +c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N YPZ 3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine +Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C YQ7 (4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one +C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O YQA 5-hydroxy,-4,5-dihydroquinolinate +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C YQD n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide +Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5 YQG n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide +CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC YQJ n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine +CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F YQM eravacycline +C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O YQP (2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid +CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC YQV methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate +c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O YQY [3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone +CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7 YR0 7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide +c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O YR1 2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid +CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O YR3 (2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol +CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO YR4 (2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol +CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF YR7 2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide +c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N YRA 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide +c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl YRG (2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid +c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-] YRJ 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium +c1cc(ccc1CCO)O YRL 4-(2-hydroxyethyl)phenol +CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C YRM (5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione +CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O YRO 5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl YRP (2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide +C1CN[C@@H]([C@H]1O)COP(=O)(O)O YRR 3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group +c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4 YRZ n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine +c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3 YS1 [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS2 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS3 (1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O YS4 [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) +CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS5 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cnccc1NC(=S)N YS6 1-pyridin-4-ylthiourea +Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O YS7 (1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside +CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YS9 (1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O YSA 5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O YSC [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O YSD (1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSE (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O YSG 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione +CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O YSH 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid +c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl YSJ 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSL (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol +c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSM 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(c2c(c1)[nH]nc2N)C#N YSO 3-amino-1h-indazole-4-carbonitrile +Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YSP 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O YSS 15r-methyl-prostaglandin d2 +c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O YSU [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate +C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C YSV (1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol +c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3 YSY 4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile +COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4 YT1 pb28 +[Y+3] YT3 yttrium (iii) ion +COC(=O)[C@H](CS)NC(=O)OCc1ccccc1 YT4 methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate +C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2 YT5 moiramide b +c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F YT7 roluperidone +COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N YTA yatakemycin-adenine nucleobase adduct +C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N YTB (1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol +COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4 YTC (3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C YTD 6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one +CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O YTG n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide +C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O YTH o-phosphono-l-allothreonine +COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N YTJ 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile +c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O YTM 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4 YTN (3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one +Cc1cc(ccc1O)C(=O)C YTP 1-(4-hydroxy-3-methylphenyl)ethanone +CC1=CC(=O)N(c2c1ccc(c2OC)OC)C YTR 7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O YTS 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione +c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O YTT (3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione +CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O YTV 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O YTW (3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol +COc1cc(ccc1O)CC(=O)O YTX 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid +CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YTY diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate +c1cc(ccc1N)S(=O)(=O)Nc2nccs2 YTZ 4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide +c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O YU4 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione +c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl YU7 1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide +c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br YUG 2,6-dibromo-3-(2,4-dibromophenoxy)phenol +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl YUI 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N YUK 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide +Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5 YUM (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate +CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br YUN n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide +C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O YUP (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate +COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3 YUS n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 YUV (25r)-14beta,17beta-spirost-5-en-3beta-ol +C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 YUY (2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2 YV1 (3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate +C1CNC(=O)[C@H]1N YV4 (3s)-3-aminopyrrolidin-2-one +CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O YVN n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide +c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5 YVQ 3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine +C[C@H]1CCC(=O)O1 YVR gamma-valerolactone +c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F YVS [4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate +Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C YW1 9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide +C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O YW2 (1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N YW4 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide +Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N YW7 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide +Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2 YWA 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC YWJ 4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWM diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC YWN 2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide +Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-] YWO o-(5-methyl-2-nitrophenyl)-d-tyrosinamide +CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC YWP diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate +CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O YWS diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate +Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O YWY 2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol +C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F YWZ 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O YX0 [(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside +CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO YX1 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose +Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2 YX4 2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol +Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O YXA 5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid +CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O YXD n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide +C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl YXG milvexian +c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4 YXM n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide +COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O YXP {(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid +C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXR (2r)-sulfonatepropionyl-coa +C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YXS (2s)-sulfonatepropionyl-coa +C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl YXX chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium +C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN YXZ chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium +Cc1[nH]c(nn1)S YY1 5-methyl-4h-1,2,4-triazole-3-thiol +CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC YY2 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide +Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C YY3 n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY4 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY5 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY6 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C YY7 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl YY9 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one +C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O YYA 2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid +CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O YYB 1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol +Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC YYG 4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester +C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O YYH 7-deoxy-l-glycero-alpha-d-manno-heptopyranose +C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O YYJ 1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O YYK beta-d-quinovopyranose +C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O YYM alpha-d-ribopyranose +CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O YYQ 2-acetamido-2-deoxy-alpha-l-galactopyranose +CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO YYR 2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol +C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O YYY deoxycytidine diphosphate +c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O YYZ (2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid +CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O YZ0 methyl beta-d-mannopyranoside +CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O YZ6 (e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide +CCOC(=O)C1=Cc2ccc(cc2OC1=O)O YZ9 7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester +C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O YZE n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine +c1ccc(cc1)C(=O)NC(=O)N YZM n-carbamoylbenzamide +C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O YZS (2s)-sulfonatepropionyl-amino(dethia)-coa +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O YZT 6-deoxy-6-sulfo-beta-d-glucopyranose +CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC YZY (2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate +C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O Z 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one +CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl Z00 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide +CC(C)(C)C(=O)NC[C@@H](C(=O)O)N Z01 3-[(2,2-dimethylpropanoyl)amino]-l-alanine +c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] Z02 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide +c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N Z04 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide +[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O Z06 (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron +c1cc(c2c(c1)sc(n2)N)C(F)(F)F Z07 4-(trifluoromethyl)-1,3-benzothiazol-2-amine +CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N Z0A (3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one +c1cncc2c1cnc3c2ccs3 Z0B thieno[2,3-c][2,6]naphthyridine +C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z0F alpha-l-idopyranose +c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS Z0M n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide +CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2 Z0O 1-(tert-butyl)-3-(quinoxalin-6-yl)urea +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC Z0P (2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate +c1ccc2c(c1)c3c([nH]2)cncn3 Z0W 5h-pyrimido[5,4-b]indole +[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O Z10 [(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron +c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl Z12 2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide +c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F Z13 (e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine +c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N Z14 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide +c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z15 (1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol +c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O Z16 (1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol +C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C Z17 (3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid +CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C Z18 (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate +c1ccc2c(c1)c(n[nH]2)C(=O)NN Z19 1h-indazole-3-carbohydrazide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C Z1B n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide +CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C Z1E n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide +c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl Z20 (2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one +CCn1c2cc(ncc2nc1c3c(non3)N)Br Z21 4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine +CSS(=O)(=O)C Z22 s-methyl methanesulfonothioate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F Z23 di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O Z24 (3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid +C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N Z25 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid +COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl Z26 2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide +c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl Z27 2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide +C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O Z2D alpha-l-allopyranose +c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4 Z2M 3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine +COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z2T (1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol +C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3 Z2V n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide +CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z30 (5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N Z31 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone +[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N Z34 n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine +C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O Z3A 4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide +C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO Z3D (1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside +C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1 Z3E o-benzyl-l-threonine +CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O Z3J 5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide +CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O Z3K (1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol +CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C Z3L 2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose +C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O Z3P 3,3',3''-phosphoryltripropanoic acid +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O Z3Q 2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside +c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N Z3R 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide +C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O Z3U beta-d-digitoxopyranose +CCNCCS Z3V 2-(ethylamino)ethane-1-thiol +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC Z41 (2s)-3-hydroxypropane-1,2-diyl dihexadecanoate +CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1 Z46 (5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide +c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Z47 (2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol +Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4 Z48 n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O Z4K 2-o-sulfo-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O Z4R methyl 3-thio-alpha-d-mannopyranoside +CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O Z4S 1,6-anhydro-n-acetyl-beta-d-glucopyranosamine +CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O Z4U methyl 4-thio-alpha-d-xylopyranoside +C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S Z4V 4-thio-beta-l-ribopyranose +C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O Z4W beta-d-lyxopyranose +C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S Z4Y 6-thio-alpha-d-mannopyranose +c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Z57 (1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol +c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O Z59 (2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] Z5A p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate +c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O Z5D (2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid +c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl Z5G 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid +C[C@H]1[C@@H]([C@H](CC(O1)O)O)O Z5J beta-l-olivopyranose +CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Z5K n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide +CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S Z5L methyl 2-thio-alpha-d-mannopyranoside +c1ccc(c(c1)CN)n2cccn2 Z5P 1-[2-(1h-pyrazol-1-yl)phenyl]methanamine +C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O Z5Y (2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid +C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N Z60 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone +C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O Z61 2-deoxy-alpha-d-arabino-hexopyranose +C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N Z62 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +C=CCNc1nc(c(s1)C(=O)c2ccncc2)N Z63 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone +Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3 Z64 n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine +c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F Z67 4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N Z68 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone +CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O Z69 (1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate +C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O Z6H alpha-l-altropyranose +C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O Z6J alpha-l-ribofuranose +Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O Z6P 2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide +Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C Z6V vimseltinib +CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O Z6W (5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose +CCCCCCCCCCCC(=O)CC(=O)O Z6X 3-oxotetradecanoic acid +c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N Z70 (2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid +c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N Z71 4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide +COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl Z72 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one +CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C Z73 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C Z74 n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C Z75 n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide +Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O Z76 n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide +Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC Z77 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea +Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F Z78 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea +COc1ccc(cc1)S(=O)(=O)NCC(=O)NO Z79 n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide +c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F Z7D 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene +c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F Z7F trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl Z7G {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol +CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl Z7H n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide +CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl Z7I n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O Z7P (2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) +CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z7S n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +c1ccc(cc1)c2ccc(cc2)C(=O)O Z7Z biphenyl-4-carboxylic acid +CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl Z80 3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine +CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F Z81 (5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one +c1cc(ccc1C(=O)O)Br Z82 4-bromobenzoic acid +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3 Z83 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4 Z84 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z85 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea +CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4 Z86 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid +Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3 Z87 1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea +CC(=O)NS(=O)(=O)c1ccc(cc1)Br Z88 n-[(4-bromophenyl)sulfonyl]acetamide +c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2 Z89 (2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid +c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N Z8B 5'-azido-8-bromo-5'-deoxyadenosine +CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O Z8G n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide +C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O Z8H beta-l-gulopyranose +CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O Z8I (3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one +CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O Z8R 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid +C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O Z8T beta-l-glucopyranose +CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO Z8V n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide +CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4 Z8Z n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide +c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O Z90 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid +COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl Z92 (4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one +COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5 Z93 2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium +CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2 Z94 n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide +CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl Z96 tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O Z97 (e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine +Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O Z98 (2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid +c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N Z99 2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine +C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO Z9D 4-deoxy-beta-d-xylo-hexopyranose +C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O Z9E 1-thio-alpha-d-glucopyranose +CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O Z9H 3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O Z9K 3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O Z9L methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside +C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O Z9M 2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose +C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O Z9N alpha-d-fructofuranose +C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O Z9W 2-acetamido-2-deoxy-beta-d-quinovopyranose +CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4 Z9Z pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate +[B-](CNC(=O)c1ccccc1Cl)(O)(O)O ZA2 [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O ZA3 trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron +[B-](CNC(=O)c1ccccc1F)(O)(O)O ZA4 [(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron +[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O ZA5 [(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron +Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O ZAA (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid +c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O ZAB (3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid +c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N ZAD (s)-1'-(2',3'-dihydroxypropyl)-adenine +CN[C@H](Cc1ccccc1)C(=O)O ZAE n-methyl-d-phenylalanine +C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2 ZAF o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid +C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2 ZAH n-[(benzyloxy)carbonyl]-l-alanyl-l-proline +C1CCC(CC1)C[C@H](C(=O)O)N ZAL 3-cyclohexyl-d-alanine +CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C ZAM 3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N ZAN 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine +[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N ZAP [n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate +COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2 ZAR 6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N ZAS 5'-azido-5'-deoxyadenosine +[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C ZAT 4,4'-diacetyldiphenylurea-bis(guanylhydrazone) +c1cc(cnc1)C(=O)c2cccnc2 ZAW di(pyridin-3-yl)methanone +C1CCC(CC1)CCCCCO ZAZ 5-cyclohexylpentan-1-ol +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O ZB0 2,3-di-o-methyl-alpha-d-glucopyranose +CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O ZB1 3-o-methyl-alpha-d-glucopyranose +CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O ZB2 2-o-methyl-alpha-d-glucopyranose +COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O ZB3 2,6-di-o-methyl-alpha-d-glucopyranose +COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4 ZB4 n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide +C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O ZB6 (2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid +CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C ZBA 12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate +C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br ZBC (2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate +C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O ZBD 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide +C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O ZBF l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine +c1c(cc(cc1CBr)CBr)CBr ZBR 1,3,5-tris(bromomethyl)benzene +c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5 ZBS 2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide +CC[C@H](C)C1=NCCS1 ZBT 2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole +C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br ZBU (s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil +c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N ZBZ s-(phenylcarbonyl)-l-cysteine +c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F ZC0 contezolid +CC(=O)Nc1nc2cc(ccc2s1)F ZC3 n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide +C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O ZCD alpha-d-idopyranose +c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl ZCL 3,4-dichloro-l-phenylalanine +[Cm+3] ZCM curium ion +c1cc(cc(c1)O)[N+](=O)[O-] ZCQ 3-nitrophenol +C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O ZCT 2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid +c1ccc2c(c1)c(c[nH]2)CCO ZCW 2-(1h-indol-3-yl)ethanol +C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O ZCY (s)-1'-(2',3'-dihydroxypropyl)-cytosine +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O ZCZ 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose +C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O ZD0 methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside +C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO ZD1 (1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside +c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N ZD2 (2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid +c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N ZD4 2-chloroadenosine 5'-(trihydrogen diphosphate) +CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br ZD6 vandetanib +CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 ZD7 5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one +CC#CNCc1cc2c(cc1C)N=C(NC2=O)C ZD9 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one +C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O ZDA 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) +C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O ZDC 3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid +Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-] ZDG 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate +Cc1cc(ccc1O)C[C@@H](C(=O)O)N ZDJ 3-methyl-l-tyrosine +CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O ZDM nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside +CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O ZDO methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside +C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDP (2s,6s)-2,6-diamino-2-methylheptanedioic acid +C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N ZDR (2r,6s)-2,6-diamino-2-methylheptanedioic acid +C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O ZDU 5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate +c1cc(cc(c1)F)CN ZDV 1-(3-fluorophenyl)methanamine +C1CCC(CC1)CCCCCCO ZE7 6-cyclohexylhexan-1-ol +C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O ZE8 zebularine +C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO ZEA (2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O ZEB 4-hydroxy-3,4-dihydro-zebularine +c1cc2c(cc1O)sc(n2)S(=O)(=O)N ZEC 6-hydroxy-1,3-benzothiazole-2-sulfonamide +C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2 ZED l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s +C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O ZEE beta-l-talopyranose +c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F ZEG 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine +CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O ZEL methyl beta-d-altropyranoside +Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O ZEM 20-oxo-protoporphyrin ix containing zn(ii) +c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5 ZEN [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone +CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F ZEP n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide +C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O ZER (3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione +c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O ZES [3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid +C(CCCCO)CCCC(=O)O ZEU 9-hydroxynonanoic acid +c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N ZEV (2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione +CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C ZEX (1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol +C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO ZEZ (2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol +Cc1cccc(c1)CN ZF0 1-(3-methylphenyl)methanamine +c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O ZF1 7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one +C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O ZF7 (1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid +c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2 ZFB (3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C ZFG 4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline +CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C ZFJ (4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine +C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3 ZFP 1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O ZFR (1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one +CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F ZFS n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide +CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F ZFY 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide +CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5 ZG1 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6 ZG2 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine +CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5 ZG4 n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide +c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N ZG7 (8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile +CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O ZGA zaragozic acid a +Cc1cc(ccc1OC)CCC(=O)O ZGB 3-(4-methoxy-3-methylphenyl)propanoic acid +COc1ccc(cc1)CCC(=O)O ZGC 3-(4-methoxyphenyl)propanoic acid +CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl ZGD n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea +[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C ZGE 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid +C(CC(=O)O)[C@H](C(=O)N)N ZGL d-alpha-glutamine +C(CC(=O)O)C(CC(=O)C(=O)O)O ZGM (4s)-4-hydroxy-2-oxoheptanedioic acid +Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S ZGP 5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine +C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O ZGR 2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid +CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O ZGS [(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate +c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N ZGU (s)-1'-(2',3'-dihydroxypropyl)-guanine +CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O ZGV 4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid +COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O ZH1 methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate +C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O ZH2 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide +O[Zn-](O)O ZH3 zinc trihydroxide +C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O ZH4 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C ZH7 (3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one +CC(=O)Nc1ccc2c(c1)CCCC2=O ZHA ~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide +C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O ZHB (3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one +C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C ZHD (3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one +C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O ZHG 2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol +COc1ccc(cc1)CCN ZHH 2-(4-methoxyphenyl)ethanamine +COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O ZHJ 5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide +C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl ZHK (2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide +Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br ZHM 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine +CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC ZHN pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate +CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O ZHP (s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone +Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C ZHS 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O ZHU alchivemycin a +Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br ZHV 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine +COc1ccc(cc1)CC(=O)N ZHZ 2-(4-methoxyphenyl)acetamide +C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F ZI1 3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide +c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F ZI6 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide +c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F ZI7 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide +c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O ZID isonicotinic-acetyl-nicotinamide-adenine dinucleotide +COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F ZIG 2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide +CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1 ZIL n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine +c1ccnc(c1)Cc2ccc3cccnc3c2O ZIN 7-(pyridin-2-ylmethyl)quinolin-8-ol +C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C ZIO (3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside +CC(=CCNc1c2c([nH]cn2)ncn1)C ZIP n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine +C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N ZIQ alpha-methyl-l-tryptophan +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C ZIR n-(3-methylbut-2-en-1-yl)adenosine +CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O ZIT azithromycin +CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC ZJ0 1-(3,5-dimethoxyphenyl)decan-1-one +CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3 ZJ1 (2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide +Cc1cccc(c1c2ccc(s2)C(=O)O)C ZJ4 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid +Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C ZJ7 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid +Cc1ccccc1c2ccc(s2)C(=O)O ZJA 5-(2-methylphenyl)thiophene-2-carboxylic acid +CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N ZJB (2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol +CCc1ccccc1c2ccc(s2)C(=O)O ZJD 5-(2-ethylphenyl)thiophene-2-carboxylic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C ZJG cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJJ 3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C ZJM (1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C ZJS n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZJV (2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZJY [1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F ZK1 {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK4 (1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F ZK5 9alpha-fluorocortisol +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C ZK7 1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F ZK9 [3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C ZKA (1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O ZKD uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine +O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2 ZKG zirconium(iv) phosphotungstate keggin +Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C ZKJ (2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate +CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O ZKM n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide +C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3 ZKP fe3-s4 methylated cluster +[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O ZKS (1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate +c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O ZKW 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid +c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F ZL1 n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O ZL4 (1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) +Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C ZL5 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole +CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F ZL7 (2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) +c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLA 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid +CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 ZLD n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide +c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ZLG antabactin +C(CCl)S(=O)(=O)O ZLJ 2-chloroethane-1-sulfonic acid +Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C ZLK zafirlukast +CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O ZLM (1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide +CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5 ZLP (3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate +CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O ZLS (1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide +CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O ZLV (3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one +c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O ZLY (4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid +CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O ZM1 2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose +CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC ZM3 mycinamicin iii +c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O ZMA 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol +B1(c2ccccc2[C@H](O1)O)O ZMD (3s)-2,1-benzoxaborole-1,3(3h)-diol +Cc1ccn(c1)c2c3c([nH]cn3)ncn2 ZME 6-(3-methyl-1h-pyrrol-1-yl)-9h-purine +CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F ZMG (5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one +CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O ZMK methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate +CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMO s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate +CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMP s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate +CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O ZMQ s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate +[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O ZMR zanamivir +CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F ZMY (9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +[Zn+2] ZN zinc ion +CC[Sn](CC)(CC)Cl ZN0 triethyltin chloride +[Zn+2] ZN2 zinc ion on 3-fold crystal axis +[OH2][Zn+2] ZN3 zinc ion, 1 water coordinated +CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl ZN4 1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide +C[Sn](C)(Br)Br ZN5 dimethyltin dibromide +CC[Sn](CC)(Cl)Cl ZN6 diethyltin dichloride +CC[Pb](CC)(Br)Br ZN7 diethyllead dibromide +C[Sn](C)(C)Cl ZN8 trimethyltin chloride +C[Pb](C)(C)Br ZN9 trimethyllead bromide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N ZNA [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate +c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N ZNB 2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide +c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4 ZNC 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine +Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O ZND zinc (ii) deuteroporphyrin ix +C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C ZNE (1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol +c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F ZNG (9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one +Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C ZNH protoporphyrin ix containing zn +C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F ZNM 3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol +C(CCNC(=O)CN=[N+]=[N-])CN ZNN n-(4-aminobutyl)-2-azidoacetamide +[OH2][Zn+2][OH2] ZNO zinc ion, 2 waters coordinated +c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N ZNP (2r)-2-benzyl-3-nitropropanamide +C=CCOc1ccccc1F ZNV 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene +CCO[C@@H]1C[C@H](NC1)C(=O)O ZNY (4r)-4-ethoxy-l-proline +CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F ZO0 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline +c1cc(cc(c1)C(F)(F)F)C=O ZO1 3-(trifluoromethyl)benzaldehyde +[OH2][Zn+2]([OH2])[OH2] ZO3 zinc ion, 3 waters coordinated +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO4 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine +c1cncc2c1cnc3c2scc3 ZO6 thieno[3,2-c][2,6]naphthyridine +CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl ZO7 n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine +c1cncc2c1c3ccsc3nc2 ZO8 thieno[2,3-c][2,7]naphthyridine +c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N ZO9 4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine +CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N ZOA ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate +CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O ZOD [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate +C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 ZOE 6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O ZOF 6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid +c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F ZOG 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid +c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O ZOL zoledronic acid +Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O ZOM [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid +c1ccc2c(c1)c(no2)CS(=O)(=O)N ZON 1-(1,2-benzoxazol-3-yl)methanesulfonamide +CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F ZOO (5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one +CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5 ZOP (3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide +CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl ZOT 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine +Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N ZOV 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine +c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N ZOY n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide +CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O ZOZ 3-keto-decanoyl-coa +CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O ZP1 (4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid +CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-] ZP4 [[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate +c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 ZP6 (2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid +CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O ZP7 (2s)-2,3-dihydroxypropyl hexadecanoate +[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O ZPA 4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine +CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl ZPC (5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO ZPD (4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate +CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN ZPE (2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate +CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O ZPF n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide +C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O ZPG (2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol +CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC ZPH methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate +C1CC1C(=O)O ZPJ cyclopropanecarboxylic acid +C1CC(C1)C(=O)O ZPM cyclobutanecarboxylic acid +C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O ZPN (2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide +C1CNN(C1)C(=O)O ZPO pyrazolidine-1-carboxylic acid +Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C ZPQ n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide +c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O ZPR n-benzyloxycarbonyl-l-prolyl-l-prolinal +C1CC(C1)(C(=O)O)C(=O)O ZPS cyclobutane-1,1-dicarboxylic acid +[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-] ZPT trichloro(ethene)platinate(ii) +c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O ZPV n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O ZPX n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O ZPY ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate +C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O ZPZ n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide +c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl ZQ1 n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine +CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O ZQ4 2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O ZQ7 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol +CCc1csc(n1)c2cnc[nH]2 ZQA 4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole +CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3 ZQC 4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide +Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C ZQD 3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole +c1cnc([nH]1)CCCN ZQG 3-(1h-imidazol-2-yl)propan-1-amine +CN1C(=O)C=C2CNCCC2=N1 ZQJ 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one +CC(C)Sc1ccccc1NC(=O)N ZQM n-{2-[(propan-2-yl)sulfanyl]phenyl}urea +c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4 ZQS (4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O ZQU zosuquidar +CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4 ZQY 2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine +[Zr+4] ZR zirconium ion +Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F ZR1 (1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol +c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl ZR4 7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine +COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F ZR7 n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide +CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1 ZRA benzoyl-arginine-alanine-fluoro-methyl ketone +[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-] ZRC oxo zirconium(iv) cluster +c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F ZRD (4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine +[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC ZRG (2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide +c1cnccc1c2cc3c(o2)C=CNC3=O ZRK 2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one +c1cnccc1c2cc3c(s2)C(=CNC3=O)Br ZRL 7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O ZRM 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one +c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F ZRO 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid +CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3 ZRP 4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide +c1cc(ccc1C(=O)O)n2cncn2 ZRS 4-(1h-1,2,4-triazol-1-yl)benzoic acid +CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5 ZRV 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide +O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O] ZRW w-zr-cluster +[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1 ZRY (1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine +c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F ZS0 3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one +[H]/N=C\1/c2ccccc2C(=N1)N ZS1 (1z)-1-imino-1h-isoindol-3-amine +CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6 ZS2 (4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide +c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F ZS4 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole +c1ccc2c(c1)C(=NC2=O)N ZS7 3-amino-1h-isoindol-1-one +CC#CCCCCC[C@@](C)(C(=O)O)N ZS8 (2s)-2-amino-2-methyldec-8-ynoic acid +c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N ZSA (2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide +CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C ZSC 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid +Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N ZSD 6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine +CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N ZSG (8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide +CSc1ccc(cc1)CNCCO ZSJ 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol +c1cc(ccc1CSC(=N)N)CSC(=N)N ZSM (1,4-phenylene)bis(methylene) dicarbamimidothioate +C(C(=O)N)N(C(=O)O)N ZSN 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid +c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F ZSO 5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole +C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O ZSP 2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one +[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl ZSS (1r)-1-(4-chlorophenyl)ethyl carbamimidothioate +c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O ZST 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid +COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O ZSV (r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium +CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O ZSW (r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium +c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4 ZSY n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide +C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4 ZT0 (4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium +CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C ZT1 n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine +c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4 ZT2 5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid +c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O ZT4 5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O ZTD methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate +CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O ZTH (s)-1'-(2',3'-dihydroxypropyl)-thymine +c1cc(c(c(c1)F)F)O ZTN 2,3-bis(fluoranyl)phenol +CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C ZTP (2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate +c1cc(ccc1c2cc3ccc(cc3s2)O)O ZTW raloxifene core +CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C ZTX 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one +C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C ZU0 o-tert-butyl-l-threonine +CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2 ZU3 n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide +CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl ZU4 1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one +C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C ZU5 n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide +c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl ZUF ~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine +CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl ZUI 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione +c1cnc(nc1)CCC[C@H](C(=O)O)N ZUK 5-pyrimidin-2-yl-d-norvaline +Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O ZUN (4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide +c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4 ZUQ n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide +CN1c2c3c(c[nH]c3ncn2)C(=N1)N ZVO 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine +c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6 ZVP 7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVS n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl ZVT 2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F ZVU n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F ZVV n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F ZVW n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide +C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F ZVX 2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide +c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O ZVY 2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid +CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N ZVZ 2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide +c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O ZW2 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione +CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3 ZW3 n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide +CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate +CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4 ZWP 3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O ZWZ (2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol +C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX0 (3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O ZX1 (3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O ZX5 3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O ZX6 2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O ZX7 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O ZX8 n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O ZX9 (2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide +C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O ZXA n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide +c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O ZXB (2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol +c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2 ZXC n-(9h-purin-6-yl)thiophene-2-carboxamide +CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O ZXD (2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol +CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br ZXG 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate +c1cc(ccc1CN)I ZXI 1-(4-iodophenyl)methanamine +B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O ZXM 1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid +c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O ZXU n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide +c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N ZXW 5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine +CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C ZXX methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate +c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O ZXY n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide +CC1=CC(=O)N(c2c1cccc2)C ZXZ 1,4-dimethylquinolin-2(1h)-one +CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O ZY0 n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide +CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZY1 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide +CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C ZY2 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide +CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O ZY3 n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide +CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O ZY4 n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide +COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O ZY5 4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol +c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3 ZY6 1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 ZY7 (3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine +c1cc(nc(c1)C(=O)O)CN ZY9 6-(aminomethyl)pyridine-2-carboxylic acid +CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2 ZYA benzoyl-tyrosine-alanine-fluoro-methyl ketone +c1cc(ccc1/C(=N/O)/N)F ZYB 4-fluorobenzamidoxime +CCOC(=O)/C=C/c1ccc(c(c1)OC)O ZYC ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate +CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O ZYD (1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol +CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O ZYE n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O ZYF (9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid +C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O ZYG 9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid +c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6 ZYH (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone +c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3 ZYI n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide +COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O ZYJ (4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline +COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O ZYK (4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline +CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O ZYL 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid +c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O ZYM 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid +CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C ZYN 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C ZYO (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione +c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1 ZYP 5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide +CC(=O)Nc1nc2c(s1)C(=O)NCCC2 ZYQ n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide +C1CCc2c(c3c(s2)N=CNC3=O)C1 ZYR 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one +CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N ZYS [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone +CSc1[nH]c(c(n1)O)Cc2cccs2 ZYT 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol +c1[nH]c2c(n1)c(ncn2)N3CCOCC3 ZYU 6-morpholin-4-yl-9h-purine +c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN ZYV 1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine +c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN ZYW 1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine +c1cc(ccc1CCN)S(=O)(=O)N ZYX 4-(2-aminoethyl)benzenesulfonamide +C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C ZYY n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide +CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC ZYZ (4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid +c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O ZZ0 2-(4-chloro-phenylamino)-nicotinic acid +CC1=CC(=O)Oc2c1cccc2 ZZ1 4-methyl-2h-chromen-2-one +Cc1cc(nc(n1)N)OCCOC ZZ2 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine +Cc1nc(nc(n1)SC)N ZZ3 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine +c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N ZZ4 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine +CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N ZZ5 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide +CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl ZZ6 2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide +CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C ZZ7 (2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid +CC(=O)Nc1ccccc1C(=O)O ZZ8 2-(acetylamino)benzoic acid +CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ZZ9 5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine +c1ccc(cc1)n2cc(cn2)C(=O)O ZZA 1-phenyl-1h-pyrazole-4-carboxylic acid +[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O ZZB [(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate +CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O ZZC [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate +c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N ZZD s-trityl-l-cysteine +CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N ZZE 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile +Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N ZZF 4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide +Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC ZZG 4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine +c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O ZZH (2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid +CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O ZZI (2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide +C[C@@H](C(=O)N)NC ZZJ n^2^-methyl-l-alaninamide +c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N ZZK 4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide +c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F ZZL 4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid +CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N ZZM 1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N ZZN 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N ZZO 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one +COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC ZZP n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide +COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5 ZZQ 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide +c1([nH][n+]2c(n[nH]c2n1)N)N ZZR 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium +c1nc(nc(n1)N)N ZZS 1,3,5-triazine-2,4-diamine +Cc1ccc(c(c1)N)OC ZZT 2-methoxy-5-methylaniline +C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O ZZU (2s,3s)-3-hydroxyarginine +C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C ZZV n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide +c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO ZZW 9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide +CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C ZZX (6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide +c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N ZZY 1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide +C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O ZZZ 6-formyltetrahydropterin diff --git a/graphein/protein_ligand/__init__.py b/graphein/protein_ligand/__init__.py new file mode 100644 index 000000000..0fddbf070 --- /dev/null +++ b/graphein/protein_ligand/__init__.py @@ -0,0 +1,22 @@ +"""Protein graph construction module.""" +from .config import * +from .edges import * +from .graphs import * +from .utils import * +from .visualisation import ( + plot_distance_landscape, + plot_distance_matrix, + plot_protein_structure_graph, + plotly_protein_structure_graph, +) + +try: + from .visualisation import plot_chord_diagram +except ImportError: + pass + +try: + from .meshes import * + from .visualisation import plot_pointcloud +except ImportError: + pass diff --git a/graphein/protein_ligand/config.py b/graphein/protein_ligand/config.py new file mode 100644 index 000000000..f8ebbd9a3 --- /dev/null +++ b/graphein/protein_ligand/config.py @@ -0,0 +1,237 @@ +"""Base Config object for use with Protein Graph Construction.""" +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +from functools import partial +from pathlib import Path +from typing import Any, Callable, List, Optional, Union + +from deepdiff import DeepDiff +from pydantic import BaseModel +from typing_extensions import Literal + +from graphein.protein_ligand.edges.atomic import ( + add_atom_bonds, + add_atomic_edges, +) +from graphein.protein_ligand.edges.distance import ( + add_distance_threshold_ligand, + add_distance_threshold_protein_ligand, + add_fully_connected_edges_ligand, + add_fully_connected_edges_protein_ligand, + add_k_nn_edges_ligand, + add_k_nn_edges_protein_ligand, + add_peptide_bonds, +) +from graphein.protein_ligand.features.nodes.amino_acid import meiler_embedding +from graphein.protein_ligand.features.nodes.atom_type import atom_type_one_hot +from graphein.utils.config import PartialMatchOperator, PathMatchOperator + + +class DSSPConfig(BaseModel): + executable: str = "mkdssp" + + +class GetContactsConfig(BaseModel): + """ + Config object for parameters relating to running ``GetContacts``. + ``GetContacts`` is an optional dependency from which intramolecular interactions can be computed and used as edges in the graph. + + More information about ``GetContacts`` can be found at https://getcontacts.github.io/ + + :param get_contacts_path: Path to ``GetContacts`` installation + :type get_contacts_path: pathlib.Path + :param contacts_dir: Path to store output of ``GetContacts`` + :type contacts_dir: pathlib.Path + :param pdb_dir: Path to PDB files to be used to compute intramolecular interactions. + :type pdb_dir: pathlib.Path + :param granularity: Specifies the node types of the graph, defaults to ``"CA"`` for alpha-carbons as nodes. Other options are ``"CB"`` (beta-carbon), ``"atom"`` for all-atom graphs, and ``"centroid"`` for nodes positioned as residue centroids. + :type granularity: str + """ + + get_contacts_path: Path = Path( + "/Users/arianjamasb/github/getcontacts/" + ).resolve() + contacts_dir: Path = Path("../examples/contacts/").resolve() + pdb_dir: Path = Path("../examples/pdbs/").resolve() + granularity: str = "CA" + + +GraphAtoms = Literal[ + "N", + "CA", + "C", + "O", + "CB", + "OG", + "CG", + "CD1", + "CD2", + "CE1", + "CE2", + "CZ", + "OD1", + "ND2", + "CG1", + "CG2", + "CD", + "CE", + "NZ", + "OD2", + "OE1", + "NE2", + "OE2", + "OH", + "NE", + "NH1", + "NH2", + "OG1", + "SD", + "ND1", + "SG", + "NE1", + "CE3", + "CZ2", + "CZ3", + "CH2", + "OXT", +] +"""Allowable atom types for nodes in the graph.""" + +GranularityOpts = Literal["atom", "centroids"] +"""Allowable granularity options for nodes in the graph.""" + + +class ProteinLigandGraphConfig(BaseModel): + """ + Config Object for Protein-ligand Structure Graph Construction. + + If you encounter a problematic structure, perusing https://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/badpdbs.htm may provide some additional insight. + PDBs are notoriously troublesome and this is an excellent overview. + + :param granularity: Controls the granularity of the graph construction. ``"atom"`` builds an atomic-scale graph where + nodes are constituent atoms. Residue-level graphs can be build by specifying which constituent atom should + represent node positions (see :const:`~graphein.protein.config.GraphAtoms`). Additionally, ``"centroids"`` can be specified to + compute the centre of gravity for a given atom (Specified in :const:`~graphein.protein.config.GranularityOpts`). + Defaults to ``"CA"`` (alpha-Carbon). + :type granularity: str (Union[graphein.protein.config.GraphAtoms, graphein.protein.config.GranularityOpts]) + :param keep_hets: Controls whether or not heteroatoms are removed from the PDB file. These are typically modified + residues, bound ligands, crystallographic adjuvants, ions or water molecules. + + For more information, see: https://proteopedia.org/wiki/index.php/Hetero_atoms + :type keep_hets: bool + :param insertions: Controls whether or not insertions are allowed. + :type insertions: bool + :param pdb_dir: Specifies path to download protein structures into. + :type pdb_dir: pathlib.Path + :param verbose: Specifies verbosity of graph creation process. + :type verbose: bool + :param exclude_waters: Specifies whether or not water molecules are excluded from the structure + :type excluded_waters: bool + :param deprotonate: Specifies whether or not to remove ``H`` atoms from the graph. + :type deprotonate: bool + :param protein_df_processing_functions: List of functions that take a ``pd.DataFrame`` and return a ``pd.DataFrame``. + This allows users to define their own series of processing functions for the protein structure DataFrame and + override the default sequencing of processing steps provided by Graphein. We refer users to our low-level API + tutorial for more details. + :type protein_df_processing_functions: Optional[List[Callable]] + :param protein_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired + edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges` + :type edge_construction_functions: List[Callable] + :param protein_node_metadata_functions: List of functions that take an ``nx.Graph`` + :type node_metadata_functions: List[Callable], optional + :param protein_edge_metadata_functions: List of functions that take an + :type edge_metadata_functions: List[Callable], optional + :param ligand_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired + edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges` + :type edge_construction_functions: List[Callable] + :param ligand_node_metadata_functions: List of functions that take an ``nx.Graph`` + :type node_metadata_functions: List[Callable], optional + :param ligand_edge_metadata_functions: List of functions that take an + :type edge_metadata_functions: List[Callable], optional + :param protein_ligand_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired + edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges` + :type edge_construction_functions: List[Callable] + :param protein_ligand_edge_metadata_functions: List of functions that take an + :type edge_metadata_functions: List[Callable], optional + :param graph_metadata_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with added + graph-level features and metadata. + :type graph_metadata_functions: List[Callable], optional + :param get_contacts_config: Config object containing parameters for running ``GetContacts`` for computing intramolecular + contact-based edges. Defaults to None. + :type get_contacts_config: GetContactsConfig, optional + :param dssp_config: Config Object containing reference to ``DSSP`` executable. Defaults to None. + **NB** DSSP must be installed. See installation instructions: https://graphein.ai/getting_started/installation.html#optional-dependencies + :type dssp_config: DSSPConfig, optional + """ + + granularity: Union[GraphAtoms, GranularityOpts] = "CA" + keep_hets: bool = False + insertions: bool = False + pdb_dir: Path = Path( + "../examples/pdbs/" + ) # Also suggest to avoid hard-coding paths if possible! + verbose: bool = False + exclude_waters: bool = True + deprotonate: bool = False + add_hs: bool = False + + # Graph construction functions for protein + protein_df_processing_functions: Optional[List[Callable]] = None + protein_edge_construction_functions: List[Union[Callable, str]] = [ + add_peptide_bonds, + add_atomic_edges, + ] + protein_node_metadata_functions: Optional[List[Union[Callable, str]]] = [ + meiler_embedding + ] + protein_edge_metadata_functions: Optional[ + List[Union[Callable, str]] + ] = None + graph_metadata_functions: Optional[List[Callable]] = None + + # Graph construction functions for ligand + ligand_edge_construction_functions: List[Union[Callable, str]] = [ + add_atom_bonds, + add_fully_connected_edges_ligand, + add_k_nn_edges_ligand, + add_distance_threshold_ligand, + ] + ligand_node_metadata_functions: Optional[List[Union[Callable, str]]] = [ + atom_type_one_hot + ] + ligand_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None + + # Graph construction functions for protein-ligand + protein_ligand_edge_construction_functions: List[Union[Callable, str]] = [ + add_fully_connected_edges_protein_ligand, + add_k_nn_edges_protein_ligand, + add_distance_threshold_protein_ligand, + ] + protein_ligand_edge_metadata_functions: Optional[ + List[Union[Callable, str]] + ] = None + + # External Dependency configs + get_contacts_config: Optional[GetContactsConfig] = None + dssp_config: Optional[DSSPConfig] = None + + def __eq__(self, other: Any) -> bool: + """Overwrites the BaseModel __eq__ function in order to check more specific cases (like partial functions).""" + if isinstance(other, ProteinLigandGraphConfig): + return ( + DeepDiff( + self, + other, + custom_operators=[ + PartialMatchOperator(types=[partial]), + PathMatchOperator(types=[Path]), + ], + ) + == {} + ) + return self.dict() == other diff --git a/graphein/protein_ligand/edges/__init__.py b/graphein/protein_ligand/edges/__init__.py new file mode 100644 index 000000000..c8fb6518a --- /dev/null +++ b/graphein/protein_ligand/edges/__init__.py @@ -0,0 +1,3 @@ +from .atomic import * +from .distance import * +from .intramolecular import * diff --git a/graphein/protein_ligand/edges/atomic.py b/graphein/protein_ligand/edges/atomic.py new file mode 100644 index 000000000..b8e4bd5a2 --- /dev/null +++ b/graphein/protein_ligand/edges/atomic.py @@ -0,0 +1,366 @@ +"""Functions for computing atomic structure of proteins.""" +import logging + +# %% +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from typing import Any, Dict + +import networkx as nx +import numpy as np +import pandas as pd + +from graphein.protein.edges.distance import compute_distmat +from graphein.protein.resi_atoms import ( + BOND_LENGTHS, + BOND_ORDERS, + COVALENT_RADII, + DEFAULT_BOND_STATE, + RESIDUE_ATOM_BOND_STATE, +) + +log = logging.getLogger(__name__) + +# Todo dealing with metals +# Todo There are other check and balances that can be implemented from here: https://www.daylight.com/meetings/mug01/Sayle/m4xbondage.html + + +def add_atom_bonds(G: nx.Graph) -> nx.Graph: + """Adds atomic bonds to a ligand part of protein-ligand graph. + + :param G: protein-ligand graph to add atomic bond edges to. + :type G: nx.Graph + :return: protein-ligand graph with atomic bonds added. + :rtype: nx.Graph + """ + for idx, ligand in enumerate(G.graph["ligands_rdmol"]): + for bond in ligand.GetBonds(): + n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx() + n1 = G.graph["ligands_df"][idx].iloc[n1]["node_id"] + n2 = G.graph["ligands_df"][idx].iloc[n2]["node_id"] + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("ligand_bond") + G.edges[n1, n2]["ligand_bond"] = bond + else: + G.add_edge(n1, n2, kind={"ligand_bond"}, bond=bond) + return G + + +def assign_bond_states_to_dataframe(df: pd.DataFrame) -> pd.DataFrame: + """ + Takes a ``PandasPDB`` atom dataframe and assigns bond states to each atom based on: + + Atomic Structures of all the Twenty Essential Amino Acids and a Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii + Heyrovska, 2008 + + First, maps atoms to their standard bond states (:const:`~graphein.protein.resi_atoms.DEFAULT_BOND_STATE`). + Second, maps non-standard bonds states (:const:`~graphein.protein.resi_atoms.RESIDUE_ATOM_BOND_STATE`). + Fills NaNs with standard bond states. + + :param df: Pandas PDB dataframe + :type df: pd.DataFrame + :return: Dataframe with added ``atom_bond_state`` column + :rtype: pd.DataFrame + """ + + # Map atoms to their standard bond states + naive_bond_states = pd.Series(df["atom_name"].map(DEFAULT_BOND_STATE)) + + # Create series of bond states for the non-standard states + ss = ( + pd.DataFrame(RESIDUE_ATOM_BOND_STATE) + .unstack() + .rename_axis(("residue_name", "atom_name")) + .rename("atom_bond_state") + ) + + # Map non-standard states to the dataframe based on the residue and atom name + df = df.join(ss, on=["residue_name", "atom_name"]) + + # Fill the NaNs with the standard states + df = df.fillna(value={"atom_bond_state": naive_bond_states}) + + return df + + +def assign_covalent_radii_to_dataframe(df: pd.DataFrame) -> pd.DataFrame: + """ + Assigns covalent radius (:const:`~graphein.protein.resi_atoms.COVALENT_RADII`) to each atom based on its bond state. Adds a ``covalent_radius`` column. Using values from: + + Atomic Structures of all the Twenty Essential Amino Acids and a Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii + Heyrovska, 2008 + + :param df: Pandas PDB dataframe with a ``bond_states_column`` + :type df: pd.DataFrame + :return: Pandas PDB dataframe with added ``covalent_radius`` column + :rtype: pd.DataFrame + """ + # Assign covalent radius to each atom + df["covalent_radius"] = df["atom_bond_state"].map(COVALENT_RADII) + + return df + + +def add_atomic_edges(G: nx.Graph, tolerance: float = 0.56) -> nx.Graph: + """ + Computes covalent edges based on atomic distances. Covalent radii are assigned to each atom based on its bond assign_bond_states_to_dataframe + The distance matrix is then thresholded to entries less than this distance plus some tolerance to create an adjacency matrix. + This adjacency matrix is then parsed into an edge list and covalent edges added + + :param G: Atomic graph (nodes correspond to atoms) to populate with atomic bonds as edges + :type G: nx.Graph + :param tolerance: Tolerance for atomic distance. Default is ``0.56`` Angstroms. Commonly used values are: ``0.4, 0.45, 0.56`` + :type tolerance: float + :return: Atomic graph with edges between bonded atoms added + :rtype: nx.Graph + """ + dist_mat = compute_distmat(G.graph["protein_df"]) + + # We assign bond states to the dataframe, and then map these to covalent radii + G.graph["protein_df"] = assign_bond_states_to_dataframe( + G.graph["protein_df"] + ) + G.graph["protein_df"] = assign_covalent_radii_to_dataframe( + G.graph["protein_df"] + ) + + # Create a covalent 'distance' matrix by adding the radius arrays with its transpose + covalent_radius_distance_matrix = np.add( + np.array(G.graph["protein_df"]["covalent_radius"]).reshape(-1, 1), + np.array(G.graph["protein_df"]["covalent_radius"]).reshape(1, -1), + ) + + # Add the tolerance + covalent_radius_distance_matrix = ( + covalent_radius_distance_matrix + tolerance + ) + + # Threshold Distance Matrix to entries where the eucl distance is less than the covalent radius plus tolerance and larger than 0.4 + dist_mat = dist_mat[dist_mat > 0.4] + t_distmat = dist_mat[dist_mat < covalent_radius_distance_matrix] + + # Store atomic adjacency matrix in graph + G.graph["atomic_adj_mat"] = np.nan_to_num(t_distmat) + + # Get node IDs from non NaN entries in the thresholded distance matrix and add the edge to the graph + inds = zip(*np.where(~np.isnan(t_distmat))) + for i in inds: + length = t_distmat[i[0]][i[1]] + node_1 = G.graph["protein_df"]["node_id"][i[0]] + node_2 = G.graph["protein_df"]["node_id"][i[1]] + chain_1 = G.graph["protein_df"]["chain_id"][i[0]] + chain_2 = G.graph["protein_df"]["chain_id"][i[1]] + + # Check nodes are in graph + if not (G.has_node(node_1) and G.has_node(node_2)): + continue + + # Check atoms are in the same chain + if not (chain_1 and chain_2): + continue + + if G.has_edge(node_1, node_2): + G.edges[node_1, node_2]["kind"].add("covalent") + G.edges[node_1, node_2]["bond_length"] = length + else: + G.add_edge(node_1, node_2, kind={"covalent"}, bond_length=length) + + # Todo checking degree against MAX_NEIGHBOURS + + return G + + +def add_ring_status(G: nx.Graph) -> nx.Graph: + """ + Identifies rings in the atomic graph. Assigns the edge attribute ``"RING"`` to edges in the ring. We do not distinguish + between aromatic and non-aromatic rings. Functions by identifying all cycles in the graph. + + :param G: Atom-level protein structure graph to add ring edge types to + :type G: nx.Graph + :return: Atom-level protein structure graph with added ``"RING"`` edge attribute + :rtype: nx.Graph + """ + cycles = nx.cycle_basis( + G + ) # Produces a list of lists containing nodes in each cycle + # Iterate over cycles, check for an edge between the nodes - if there is one, add a "RING" attribute + for cycle in cycles: + [ + G.edges[x, y]["kind"].add("RING") + for i, x in enumerate(cycle) + for j, y in enumerate(cycle) + if G.has_edge(x, y) + if i != j + ] + + return G + + +def add_bond_order(G: nx.Graph) -> nx.Graph: + """ + Assign bond orders to the covalent bond edges between atoms on the basis of bond length. Values are taken from: + + Automatic Assignment of Chemical Connectivity to Organic Molecules in the Cambridge Structural Database. + Jon C. Baber and Edward E. Hodgkin* + + :param G: Atomic-level protein graph with covalent edges. + :type G: nx.Graph + :return: Atomic-level protein graph with covalent edges annotated with putative bond order. + :rtype: mx.Graph + """ + for u, v, a in G.edges(data=True): + atom_a = G.nodes[u]["element_symbol"] + atom_b = G.nodes[v]["element_symbol"] + + # Assign bonds with hydrogens to 1 + if atom_a == "H" or atom_b == "H": + G.edges[u, v]["kind"].add("SINGLE") + # If not, we need to identify the bond type from the bond length + else: + query = f"{atom_a}-{atom_b}" + # We need this try block as the dictionary keys may be X-Y, whereas the query we construct may be Y-X + try: + identify_bond_type_from_mapping(G, u, v, a, query) + except KeyError: + query = f"{atom_b}-{atom_a}" + try: + identify_bond_type_from_mapping(G, u, v, a, query) + except KeyError: + log.debug( + f"Could not identify bond type for {query}. Adding a single bond." + ) + G.edges[u, v]["kind"].add("SINGLE") + + return G + + +def identify_bond_type_from_mapping( + G: nx.Graph, u: str, v: str, a: Dict[str, Any], query: str +): + """ + Compares the bond length between two atoms in the graph, and the relevant experimental value by performing a lookup + against the watershed values in: + + Automatic Assignment of Chemical Connectivity to Organic Molecules in the Cambridge + Structural Database. Jon C. Baber and Edward E. Hodgkin* + + Bond orders are assigned in the order ``triple`` < ``double`` < ``single`` (e.g. if a bond is shorter than the triple bond + watershed (``w_dt``) then it is assigned as a triple bond. Similarly, if a bond is longer than this but shorter than the + double bond watershed (``w_sd``), it is assigned double bond status. + + :param G: ``nx.Graph`` of atom-protein structure with atomic edges added + :type G: nx.Graph + :param u: node 1 in edge + :type u: str + :param v: node 2 in edge + :type v: str + :param a: edge data + :type a: Dict[str, Any] + :param query: ``"ELEMENTX-ELEMENTY"`` to perform lookup with (E.g. ``"C-O"``,``"N-N"``) + :type query: str + :return: Graph with atomic edge bond order assigned + :rtype: nx.Graph + """ + # Perform lookup of allowable bond orders for the given atom pair + allowable_order = BOND_ORDERS[query] + # If max double, compare the length to the double watershed distance, w_sd, else assign single + if len(allowable_order) == 2: + if a["bond_length"] < BOND_LENGTHS[query]["w_sd"]: + G.edges[u, v]["kind"].add("DOUBLE") + else: + G.edges[u, v]["kind"].add("SINGLE") + else: + # If max triple, compare the length to the triple watershed distance, w_dt, then double, else assign single + if a["bond_length"] < BOND_LENGTHS[query]["w_dt"]: + G.edges[u, v]["kind"].add("TRIPLE") + elif a["bond_length"] < BOND_LENGTHS[query]["w_sd"]: + G.edges[u, v]["kind"].add("DOUBLE") + else: + G.edges[u, v]["kind"].add("SINGLE") + return G + + +# The codeblock below was used in an initial pass at solving the bond order assignment problem based on hybridisation state. +# We instead use a simpler method of construction based on bond lengths, but I am loathe to remove this code as it may prove useful later +""" +def cosinus(x0, x1, x2): + e0 = x0 - x1 + e1 = x2 - x1 + e0 = e0 / np.linalg.norm(e0) + e1 = e1 / np.linalg.norm(e1) + cosinus = np.dot(e0, e1) + angle = np.arccos(cosinus) + + return 180 - np.degrees(angle) + + +def dihedral(x0, x1, x2, x3): + b0 = -1.0 * (x1 - x0) + b1 = x2 - x1 + b2 = x3 - x2 + + b0xb1 = np.cross(b0, b1) + b1xb2 = np.cross(b2, b1) + + b0xb1_x_b1xb2 = np.cross(b0xb1, b1xb2) + + y = np.dot(b0xb1_x_b1xb2, b1) * (1.0 / np.linalg.norm(b1)) + x = np.dot(b0xb1, b1xb2) + + grad = 180 - np.degrees(np.arctan2(y, x)) + return grad + + +def assign_bond_orders(G: nx.Graph) -> nx.Graph: + + bond_angles: Dict[str, float] = {} + for n, d in G.nodes(data=True): + neighbours = list(G.neighbors(n)) + + if len(neighbours) == 1: + G.edges[n, neighbours[0]]["kind"].add("SINGLE") + bond_angles[n] = 0.0 + elif len(neighbours) == 2: + cos_angle = cosinus( + G.nodes[n]["coords"], + G.nodes[neighbours[0]]["coords"], + G.nodes[neighbours[1]]["coords"], + ) + bond_angles[n] = cos_angle + elif len(neighbours) == 3: + dihed = dihedral( + G.nodes[n]["coords"], + G.nodes[neighbours[0]]["coords"], + G.nodes[neighbours[1]]["coords"], + G.nodes[neighbours[2]]["coords"], + ) + bond_angles[n] = dihed + + print(bond_angles) + + # Assign Bond angles to dataframe + G.graph["protein_df"]["bond_angles"] = G.graph["protein_df"]["node_id"].map( + bond_angles + ) + print(G.graph["protein_df"].to_string()) + + # Assign Hybridisation state from Bond Angles + hybridisation_state = { + n: "sp" + if d > 155 + else "sp2" + if d > 115 + else "sp3" + if d <= 115 + else "UNK" + for n, d in bond_angles.items() + } + G.graph["protein_df"]["bond_angles"] = G.graph["protein_df"]["node_id"].map( + hybridisation_state + ) + + return G +""" diff --git a/graphein/protein_ligand/edges/distance.py b/graphein/protein_ligand/edges/distance.py new file mode 100644 index 000000000..815772d8f --- /dev/null +++ b/graphein/protein_ligand/edges/distance.py @@ -0,0 +1,982 @@ +"""Functions for computing biochemical edges of graphs.""" + +# Graphein +# Author: Eric Ma, Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +import itertools +import logging +from typing import Union + +import networkx as nx +import numpy as np +import pandas as pd +from scipy.spatial.distance import cdist +from sklearn.metrics import pairwise_distances +from sklearn.neighbors import kneighbors_graph + +from graphein.protein.resi_atoms import ( + AA_RING_ATOMS, + AROMATIC_RESIS, + BACKBONE_ATOMS, + BOND_TYPES, + CATION_PI_RESIS, + CATION_RESIS, + DISULFIDE_ATOMS, + DISULFIDE_RESIS, + HYDROPHOBIC_RESIS, + IONIC_RESIS, + NEG_AA, + PI_RESIS, + POS_AA, +) +from graphein.protein.utils import filter_dataframe + +log = logging.getLogger(__name__) + + +def compute_distmat(coords: np.ndarray) -> np.ndarray: + """ + Compute pairwise euclidean distances between every atom. + + Design choice: passed in a DataFrame to enable easier testing on + dummy data. + + :param coords: pd.Dataframe containing structure. Must contain columns ``["x_coord", "y_coord", "z_coord"]``. + :type coords: pd.DataFrame + :return: np.ndarray of euclidean distance matrix. + :rtype: np.ndarray + """ + return pairwise_distances(coords, metric="euclidean") + + +def get_interacting_atoms(angstroms: float, distmat: np.ndarray) -> np.ndarray: + """Find the atoms that are within a particular radius of one another. + + :param angstroms: Radius in angstroms. + :type angstroms: float + :param distmat: Distance matrix. + :type distmat: np.ndarray + :returns: Array of interacting atoms + :rtype: np.ndarray + """ + return np.where(distmat <= angstroms) + + +def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0): + """ + Adds edges to ligand nodes within a given distance of each other. + + :param G: ligand part of protein-ligand structure graph to add distance edges to + :type G: nx.Graph + :param threshold: Distance in angstroms, below which two nodes are connected. + :type threshold: float + :return: Graph with distance-based edges added + """ + for idx, ligand in enumerate(G.graph["ligands_df"]): + dist_mat = compute_distmat(G.graph["ligands_coords"][idx]) + + interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat) + outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]] + incoming = [list(G.nodes())[i] for i in interacting_nodes[1]] + interacting_nodes = list(zip(outgoing, incoming)) + + log.info( + f"Found: {len(interacting_nodes)} distance edges for radius {threshold}" + ) + for n1, n2 in interacting_nodes: + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("ligand_distance_threshold") + else: + G.add_edge(n1, n2, kind={"ligand_distance_threshold"}) + + return G + + +def add_fully_connected_edges_ligand( + G: nx.Graph, +): + """ + Adds fully connected edges to ligand nodes. + + :param G: ligand part of protein-ligand structure graph to add distance edges to. + :type G: nx.Graph + """ + + for ligand in G.graph["ligands_df"]: + for n1, n2 in itertools.product(ligand["node_id"], ligand["node_id"]): + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("ligand_fully_connected") + else: + G.add_edge(n1, n2, kind={"ligand_fully_connected"}) + + return G + + +def add_k_nn_edges_ligand( + G: nx.Graph, + k: int = 1, + mode: str = "connectivity", + metric: str = "minkowski", + p: int = 2, + include_self: Union[bool, str] = False, +): + """ + Adds edges to ligand nodes based on K nearest neighbours. + + :param G: ligand part of protein-ligand structure graph to add distance edges to. + :type G: nx.Graph + :param k: Number of neighbors for each sample. + :type k: int + :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros, + and ``"distance"`` will return the distances between neighbors according to the given metric. + :type mode: str + :param metric: The distance metric used to calculate the k-Neighbors for each sample point. + The DistanceMetric class gives a list of available metrics. + The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``). + :type metric: str + :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1), + and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean). + :type p: int + :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself. + If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``. + :type include_self: Union[bool, str] + :return: Graph with knn-based edges added. + :rtype: nx.Graph + """ + for idx, ligand in enumerate(G.graph["ligands_df"]): + dist_mat = compute_distmat(G.graph["ligands_coords"][idx]) + nn = kneighbors_graph( + X=dist_mat, + n_neighbors=k, + mode=mode, + metric=metric, + p=p, + include_self=include_self, + ) + # Create iterable of node indices + outgoing = np.repeat( + np.array(range(len(G.graph["ligands_coords"][idx]))), k + ) + outgoing = [list(G.nodes())[i] for i in outgoing] + incoming = [list(G.nodes())[i] for i in nn.indices] + interacting_nodes = list(zip(outgoing, incoming)) + log.info(f"Found: {len(interacting_nodes)} KNN edges") + for n1, n2 in interacting_nodes: + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add(f"ligand_k_nn_{k}") + else: + G.add_edge(n1, n2, kind={f"ligand_k_nn_{k}"}) + + return G + + +def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0): + """ + Adds edges to protein and ligand nodes within a given distance of each other. + + :param G: protein-ligand structure graph to add distance edges to + :type G: nx.Graph + :param threshold: Distance in angstroms, below which two nodes are connected. + :type threshold: float + :return: Graph with distance-based edges added + """ + + for idx, ligand in enumerate(G.graph["ligands_coords"]): + dist_mat = cdist(G.graph["protein_coords"], ligand) + interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat) + outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]] + incoming = [ + G.graph["ligands_df"][idx].iloc[i]["node_id"] + for i in interacting_nodes[1] + ] + interacting_nodes = list(zip(outgoing, incoming)) + + log.info( + f"Found: {len(interacting_nodes)} distance edges for radius {threshold}" + ) + for n1, n2 in interacting_nodes: + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add( + "protein_ligand_distance_threshold" + ) + else: + G.add_edge(n1, n2, kind={"protein_ligand_distance_threshold"}) + + return G + + +def add_fully_connected_edges_protein_ligand( + G: nx.Graph, +): + """ + Adds fully connected edges to protein and ligand nodes. + + :param G: protein-ligand structure graph to add distance edges to. + :type G: nx.Graph + """ + + for ligand in G.graph["ligands_df"]: + for n1, n2 in itertools.product( + G.graph["protein_df"]["node_id"], ligand["node_id"] + ): + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("protein_ligand_fully_connected") + else: + G.add_edge(n1, n2, kind={"protein_ligand_fully_connected"}) + + return G + + +def add_k_nn_edges_protein_ligand( + G: nx.Graph, + k: int = 1, + mode: str = "connectivity", + metric: str = "minkowski", + p: int = 2, + include_self: Union[bool, str] = False, +): + """ + Adds edges to protein and ligand nodes based on K nearest neighbours. + + :param G: protein-ligand structure graph to add distance edges to. + :type G: nx.Graph + :param k: Number of neighbors for each sample. + :type k: int + :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros, + and ``"distance"`` will return the distances between neighbors according to the given metric. + :type mode: str + :param metric: The distance metric used to calculate the k-Neighbors for each sample point. + The DistanceMetric class gives a list of available metrics. + The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``). + :type metric: str + :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1), + and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean). + :type p: int + :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself. + If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``. + :type include_self: Union[bool, str] + :return: Graph with knn-based edges added. + :rtype: nx.Graph + """ + + for idx, ligand in enumerate(G.graph["ligands_coords"]): + coords = np.concatenate([G.graph["protein_coords"], ligand]) + dist_mat = cdist(coords, coords) + + nn = kneighbors_graph( + X=dist_mat, + n_neighbors=k, + mode=mode, + metric=metric, + p=p, + include_self=include_self, + ) + + # Create iterable of node indices + outgoing = np.repeat(np.array(range(len(coords))), k) + incoming = nn.indices + interacting_nodes = list(zip(outgoing, incoming)) + log.info(f"Found: {len(interacting_nodes)} KNN edges") + for n1, n2 in interacting_nodes: + if n1 >= len(G.graph["protein_coords"]): + n1 = G.graph["ligands_df"][idx].iloc[ + n1 - len(G.graph["protein_coords"]) + ]["node_id"] + else: + n1 = G.graph["protein_df"].iloc[n1]["node_id"] + if n2 >= len(G.graph["protein_coords"]): + n2 = G.graph["ligands_df"][idx].iloc[ + n2 - len(G.graph["protein_coords"]) + ]["node_id"] + else: + n2 = G.graph["protein_df"].iloc[n2]["node_id"] + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add(f"protein_ligand_k_nn_{k}") + else: + G.add_edge(n1, n2, kind={f"protein_ligand_k_nn_{k}"}) + return G + + +def add_sequence_distance_edges( + G: nx.Graph, d: int, name: str = "sequence_edge" +) -> nx.Graph: + """ + Adds edges based on sequence distance to residues in each chain. + + Eg. if ``d=6`` then we join: nodes ``(1,7), (2,8), (3,9)..`` based on their sequence number. + + :param G: networkx protein graph. + :type G: nx.Graph + :param d: Sequence separation to add edges on. + :param name: Name of the edge type. Defaults to ``"sequence_edge"``. + :type name: str + :return G: networkx protein graph with added peptide bonds. + :rtype: nx.Graph + """ + print(len(G)) + # Iterate over every chain + for chain_id in G.graph["chain_ids"]: + # Find chain residues + chain_residues = [ + (n, v) + for n, v in G.nodes(data=True) + if "chain_id" in v and v["chain_id"] == chain_id + ] + + # Iterate over every residue in chain + for i, residue in enumerate(chain_residues): + try: + # Checks not at chain terminus - is this versatile enough? + if i == len(chain_residues) - d: + continue + # Asserts residues are on the same chain + cond_1 = ( + residue[1]["chain_id"] + == chain_residues[i + d][1]["chain_id"] + ) + # Asserts residue numbers are adjacent + cond_2 = ( + abs( + residue[1]["residue_number"] + - chain_residues[i + d][1]["residue_number"] + ) + == d + ) + + # If this checks out, we add a peptide bond + if (cond_1) and (cond_2): + # Adds "peptide bond" between current residue and the next + if G.has_edge(i, i + d): + G.edges[i, i + d]["kind"].add(name) + else: + G.add_edge( + residue[0], + chain_residues[i + d][0], + kind={name}, + ) + except IndexError: + continue + return G + + +def add_peptide_bonds(G: nx.Graph) -> nx.Graph: + """ + Adds peptide backbone as edges to residues in each chain. + + :param G: networkx protein graph. + :type G: nx.Graph + :return G: networkx protein graph with added peptide bonds. + :rtype: nx.Graph + """ + return add_sequence_distance_edges(G, d=1, name="peptide_bond") + + +def add_hydrophobic_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """ + Find all hydrophobic interactions. + + Performs searches between the following residues: + ``[ALA, VAL, LEU, ILE, MET, PHE, TRP, PRO, TYR]`` (:const:`~graphein.protein.resi_atoms.HYDROPHOBIC_RESIS`). + + Criteria: R-group residues are within 5A distance. + + :param G: nx.Graph to add hydrophobic interactions to. + :type G: nx.Graph + :param rgroup_df: Optional dataframe of R-group atoms. + :type rgroup_df: pd.DataFrame, optional + """ + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + hydrophobics_df = filter_dataframe( + rgroup_df, "residue_name", HYDROPHOBIC_RESIS, True + ) + hydrophobics_df = filter_dataframe( + hydrophobics_df, "node_id", list(G.nodes()), True + ) + distmat = compute_distmat(hydrophobics_df) + interacting_atoms = get_interacting_atoms(5, distmat) + add_interacting_resis( + G, interacting_atoms, hydrophobics_df, ["hydrophobic"] + ) + + +def add_disulfide_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """ + Find all disulfide interactions between CYS residues (:const:`~graphein.protein.resi_atoms.DISULFIDE_RESIS`, :const:`~graphein.protein.resi_atoms.DISULFIDE_ATOMS`). + + Criteria: sulfur atom pairs are within 2.2A of each other. + + :param G: networkx protein graph + :type G: nx.Graph + :param rgroup_df: pd.DataFrame containing rgroup data, defaults to None, which retrieves the df from the provided nx graph. + :type rgroup_df: pd.DataFrame, optional + """ + # Check for existence of at least two Cysteine residues + residues = [d["residue_name"] for _, d in G.nodes(data=True)] + if residues.count("CYS") < 2: + log.debug( + f"{residues.count('CYS')} CYS residues found. Cannot add disulfide interactions with fewer than two CYS residues." + ) + return + + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + disulfide_df = filter_dataframe( + rgroup_df, "residue_name", DISULFIDE_RESIS, True + ) + disulfide_df = filter_dataframe( + disulfide_df, "atom_name", DISULFIDE_ATOMS, True + ) + distmat = compute_distmat(disulfide_df) + interacting_atoms = get_interacting_atoms(2.2, distmat) + add_interacting_resis(G, interacting_atoms, disulfide_df, ["disulfide"]) + + +def add_hydrogen_bond_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """Add all hydrogen-bond interactions.""" + # For these atoms, find those that are within 3.5A of one another. + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + rgroup_df = filter_dataframe(rgroup_df, "node_id", list(G.nodes()), True) + HBOND_ATOMS = [ + "ND", # histidine and asparagine + "NE", # glutamate, tryptophan, arginine, histidine + "NH", # arginine + "NZ", # lysine + "OD1", + "OD2", + "OE", + "OG", + "OH", + "SD", # cysteine + "SG", # methionine + "N", + "O", + ] + hbond_df = filter_dataframe(rgroup_df, "atom_name", HBOND_ATOMS, True) + if len(hbond_df.index) > 0: + distmat = compute_distmat(hbond_df) + interacting_atoms = get_interacting_atoms(3.5, distmat) + add_interacting_resis(G, interacting_atoms, hbond_df, ["hbond"]) + + # For these atoms, find those that are within 4.0A of one another. + HBOND_ATOMS_SULPHUR = ["SD", "SG"] + hbond_df = filter_dataframe( + rgroup_df, "atom_name", HBOND_ATOMS_SULPHUR, True + ) + if len(hbond_df.index) > 0: + distmat = compute_distmat(hbond_df) + interacting_atoms = get_interacting_atoms(4.0, distmat) + add_interacting_resis(G, interacting_atoms, hbond_df, ["hbond"]) + + +def add_ionic_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """ + Find all ionic interactions. + + Criteria: ``[ARG, LYS, HIS, ASP, and GLU]`` (:const:`~graphein.protein.resi_atoms.IONIC_RESIS`) residues are within 6A. + We also check for opposing charges (:const:`~graphein.protein.resi_atoms.POS_AA`, :const:`~graphein.protein.resi_atoms.NEG_AA`) + """ + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + ionic_df = filter_dataframe(rgroup_df, "residue_name", IONIC_RESIS, True) + ionic_df = filter_dataframe(rgroup_df, "node_id", list(G.nodes()), True) + distmat = compute_distmat(ionic_df) + interacting_atoms = get_interacting_atoms(6, distmat) + add_interacting_resis(G, interacting_atoms, ionic_df, ["ionic"]) + # Check that the interacting residues are of opposite charges + for r1, r2 in get_edges_by_bond_type(G, "ionic"): + condition1 = ( + G.nodes[r1]["residue_name"] in POS_AA + and G.nodes[r2]["residue_name"] in NEG_AA + ) + + condition2 = ( + G.nodes[r2]["residue_name"] in POS_AA + and G.nodes[r1]["residue_name"] in NEG_AA + ) + + is_ionic = condition1 or condition2 + if not is_ionic: + G.edges[r1, r2]["kind"].remove("ionic") + if len(G.edges[r1, r2]["kind"]) == 0: + G.remove_edge(r1, r2) + + +def add_aromatic_interactions( + G: nx.Graph, pdb_df: Optional[pd.DataFrame] = None +): + """ + Find all aromatic-aromatic interaction. + + Criteria: phenyl ring centroids separated between 4.5A to 7A. + Phenyl rings are present on ``PHE, TRP, HIS, TYR`` (:const:`~graphein.protein.resi_atoms.AROMATIC_RESIS`). + Phenyl ring atoms on these amino acids are defined by the following + atoms: + - PHE: CG, CD, CE, CZ + - TRP: CD, CE, CH, CZ + - HIS: CG, CD, ND, NE, CE + - TYR: CG, CD, CE, CZ + Centroids of these atoms are taken by taking: + (mean x), (mean y), (mean z) + for each of the ring atoms. + Notes for future self/developers: + - Because of the requirement to pre-compute ring centroids, we do not + use the functions written above (filter_dataframe, compute_distmat, + get_interacting_atoms), as they do not return centroid atom + euclidean coordinates. + """ + if pdb_df is None: + pdb_df = G.graph["raw_pdb_df"] + dfs = [] + for resi in AROMATIC_RESIS: + resi_rings_df = get_ring_atoms(pdb_df, resi) + resi_rings_df = filter_dataframe( + resi_rings_df, "node_id", list(G.nodes()), True + ) + resi_centroid_df = get_ring_centroids(resi_rings_df) + dfs.append(resi_centroid_df) + aromatic_df = ( + pd.concat(dfs).sort_values(by="node_id").reset_index(drop=True) + ) + distmat = compute_distmat(aromatic_df) + distmat.set_index(aromatic_df["node_id"], inplace=True) + distmat.columns = aromatic_df["node_id"] + distmat = distmat[(distmat >= 4.5) & (distmat <= 7)].fillna(0) + indices = np.where(distmat > 0) + + interacting_resis = [ + (distmat.index[r], distmat.index[c]) + for r, c in zip(indices[0], indices[1]) + ] + log.info(f"Found: {len(interacting_resis)} aromatic-aromatic interactions") + for n1, n2 in interacting_resis: + assert G.nodes[n1]["residue_name"] in AROMATIC_RESIS + assert G.nodes[n2]["residue_name"] in AROMATIC_RESIS + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("aromatic") + else: + G.add_edge(n1, n2, kind={"aromatic"}) + + +def add_aromatic_sulphur_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """Find all aromatic-sulphur interactions.""" + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + RESIDUES = ["MET", "CYS", "PHE", "TYR", "TRP"] + SULPHUR_RESIS = ["MET", "CYS"] + AROMATIC_RESIS = ["PHE", "TYR", "TRP"] + + aromatic_sulphur_df = filter_dataframe( + rgroup_df, "residue_name", RESIDUES, True + ) + aromatic_sulphur_df = filter_dataframe( + aromatic_sulphur_df, "node_id", list(G.nodes()), True + ) + distmat = compute_distmat(aromatic_sulphur_df) + interacting_atoms = get_interacting_atoms(5.3, distmat) + interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1])) + + for a1, a2 in interacting_atoms: + resi1 = aromatic_sulphur_df.loc[a1, "node_id"] + resi2 = aromatic_sulphur_df.loc[a2, "node_id"] + + condition1 = resi1 in SULPHUR_RESIS and resi2 in AROMATIC_RESIS + condition2 = resi1 in AROMATIC_RESIS and resi2 in SULPHUR_RESIS + + if (condition1 or condition2) and resi1 != resi2: + if G.has_edge(resi1, resi2): + G.edges[resi1, resi2]["kind"].add("aromatic_sulphur") + else: + G.add_edge(resi1, resi2, kind={"aromatic_sulphur"}) + + +def add_cation_pi_interactions( + G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None +): + """Add cation-pi interactions.""" + if rgroup_df is None: + rgroup_df = G.graph["rgroup_df"] + cation_pi_df = filter_dataframe( + rgroup_df, "residue_name", CATION_PI_RESIS, True + ) + cation_pi_df = filter_dataframe( + cation_pi_df, "node_id", list(G.nodes()), True + ) + distmat = compute_distmat(cation_pi_df) + interacting_atoms = get_interacting_atoms(6, distmat) + interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1])) + + for a1, a2 in interacting_atoms: + resi1 = cation_pi_df.loc[a1, "node_id"] + resi2 = cation_pi_df.loc[a2, "node_id"] + + condition1 = resi1 in CATION_RESIS and resi2 in PI_RESIS + condition2 = resi1 in PI_RESIS and resi2 in CATION_RESIS + + if (condition1 or condition2) and resi1 != resi2: + if G.has_edge(resi1, resi2): + G.edges[resi1, resi2]["kind"].add("cation_pi") + else: + G.add_edge(resi1, resi2, kind={"cation_pi"}) + + +def get_interacting_atoms(angstroms: float, distmat: pd.DataFrame): + """Find the atoms that are within a particular radius of one another.""" + return np.where(distmat <= angstroms) + + +def add_delaunay_triangulation( + G: nx.Graph, allowable_nodes: Optional[List[str]] = None +): + """ + Compute the Delaunay triangulation of the protein structure. + + This has been used in prior work. References: + + Harrison, R. W., Yu, X. & Weber, I. T. Using triangulation to include + target structure improves drug resistance prediction accuracy. in 1–1 + (IEEE, 2013). doi:10.1109/ICCABS.2013.6629236 + + Yu, X., Weber, I. T. & Harrison, R. W. Prediction of HIV drug + resistance from genotype with encoded three-dimensional protein + structure. BMC Genomics 15 Suppl 5, S1 (2014). + + Notes: + 1. We do not use the add_interacting_resis function, because this + interaction is computed on the ``CA`` atoms. Therefore, there is code + duplication. For now, I have chosen to leave this code duplication + in. + + :param G: The networkx graph to add the triangulation to. + :type G: nx.Graph + :param allowable_nodes: The nodes to include in the triangulation. If ``None`` (default), no filtering is done. + This parameter is used to filter out nodes that are not desired in the triangulation. + Eg if you wanted to construct a delaunay triangulation of the CA atoms of an atomic graph. + :type allowable_nodes: List[str], optional + """ + if allowable_nodes is None: + coords = np.array([d["coords"] for _, d in G.nodes(data=True)]) + node_map: Dict[int, str] = dict(enumerate(G.nodes())) + else: + coords = np.array( + [ + d["coords"] + for _, d in G.nodes(data=True) + if d["atom_type"] in allowable_nodes + ] + ) + node_map: Dict[int, str] = { + i: n + for i, (n, d) in enumerate(G.nodes(data=True)) + if d["atom_type"] in allowable_nodes + } + node_map: Dict[int, str] = dict(enumerate(node_map.values())) + + tri = Delaunay(coords) # this is the triangulation + log.debug( + f"Detected {len(tri.simplices)} simplices in the Delaunay Triangulation." + ) + for simplex in tri.simplices: + nodes = [node_map[s] for s in simplex] + for n1, n2 in combinations(nodes, 2): + if n1 not in G.nodes or n2 not in G.nodes: + continue + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("delaunay") + else: + G.add_edge(n1, n2, kind={"delaunay"}) + + +def add_distance_threshold_protein( + G: nx.Graph, long_interaction_threshold: int, threshold: float = 5.0 +): + """ + Adds edges to any nodes within a given distance of each other. Long interaction threshold is used + to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold + + :param G: Protein Structure graph to add distance edges to + :type G: nx.Graph + :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected + :type long_interaction_threshold: int + :param threshold: Distance in angstroms, below which two nodes are connected + :type threshold: float + :return: Graph with distance-based edges added + """ + pdb_df = filter_dataframe( + G.graph["pdb_df"], "node_id", list(G.nodes()), True + ) + dist_mat = compute_distmat(pdb_df) + interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat) + interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1])) + + log.info(f"Found: {len(interacting_nodes)} distance edges") + count = 0 + for a1, a2 in interacting_nodes: + n1 = G.graph["pdb_df"].loc[a1, "node_id"] + n2 = G.graph["pdb_df"].loc[a2, "node_id"] + n1_chain = G.graph["pdb_df"].loc[a1, "chain_id"] + n2_chain = G.graph["pdb_df"].loc[a2, "chain_id"] + n1_position = G.graph["pdb_df"].loc[a1, "residue_number"] + n2_position = G.graph["pdb_df"].loc[a2, "residue_number"] + + condition_1 = n1_chain == n2_chain + condition_2 = ( + abs(n1_position - n2_position) < long_interaction_threshold + ) + + if not (condition_1 and condition_2): + count += 1 + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("distance_threshold") + else: + G.add_edge(n1, n2, kind={"distance_threshold"}) + log.info( + f"Added {count} distance edges. ({len(list(interacting_nodes)) - count} removed by LIN)" + ) + + +def add_k_nn_edges_protein( + G: nx.Graph, + long_interaction_threshold: int, + k: int = 5, + mode: str = "connectivity", + metric: str = "minkowski", + p: int = 2, + include_self: Union[bool, str] = False, +): + """ + Adds edges to nodes based on K nearest neighbours. Long interaction threshold is used + to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold + + :param G: Protein Structure graph to add distance edges to + :type G: nx.Graph + :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected + :type long_interaction_threshold: int + :param k: Number of neighbors for each sample. + :type k: int + :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros, + and ``"distance"`` will return the distances between neighbors according to the given metric. + :type mode: str + :param metric: The distance metric used to calculate the k-Neighbors for each sample point. + The DistanceMetric class gives a list of available metrics. + The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``). + :type metric: str + :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1), + and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean). + :type p: int + :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself. + If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``. + :type include_self: Union[bool, str] + :return: Graph with knn-based edges added + :rtype: nx.Graph + """ + pdb_df = filter_dataframe( + G.graph["pdb_df"], "node_id", list(G.nodes()), True + ) + dist_mat = compute_distmat(pdb_df) + + nn = kneighbors_graph( + X=dist_mat, + n_neighbors=k, + mode=mode, + metric=metric, + p=p, + include_self=include_self, + ) + + # Create iterable of node indices + outgoing = np.repeat(np.array(range(len(G.graph["pdb_df"]))), k) + incoming = nn.indices + interacting_nodes = list(zip(outgoing, incoming)) + log.info(f"Found: {len(interacting_nodes)} KNN edges") + for a1, a2 in interacting_nodes: + # Get nodes IDs from indices + n1 = G.graph["pdb_df"].loc[a1, "node_id"] + n2 = G.graph["pdb_df"].loc[a2, "node_id"] + + # Get chains + n1_chain = G.graph["pdb_df"].loc[a1, "chain_id"] + n2_chain = G.graph["pdb_df"].loc[a2, "chain_id"] + + # Get sequence position + n1_position = G.graph["pdb_df"].loc[a1, "residue_number"] + n2_position = G.graph["pdb_df"].loc[a2, "residue_number"] + + # Check residues are not on same chain + condition_1 = n1_chain != n2_chain + # Check residues are separated by long_interaction_threshold + condition_2 = ( + abs(n1_position - n2_position) > long_interaction_threshold + ) + + # If not on same chain add edge or + # If on same chain and separation is sufficient add edge + if condition_1 or condition_2: + if G.has_edge(n1, n2): + G.edges[n1, n2]["kind"].add("k_nn") + else: + G.add_edge(n1, n2, kind={"k_nn"}) + + +def get_ring_atoms(dataframe: pd.DataFrame, aa: str) -> pd.DataFrame: + """ + Return ring atoms from a dataframe. + + A helper function for add_aromatic_interactions. + + Gets the ring atoms from the particular aromatic amino acid. + + Parameters: + =========== + - dataframe: the dataframe containing the atom records. + - aa: the amino acid of interest, passed in as 3-letter string. + + Returns: + ======== + - dataframe: a filtered dataframe containing just those atoms from the + particular amino acid selected. e.g. equivalent to + selecting just the ring atoms from a particular amino + acid. + """ + ring_atom_df = filter_dataframe(dataframe, "residue_name", [aa], True) + + ring_atom_df = filter_dataframe( + ring_atom_df, "atom_name", AA_RING_ATOMS[aa], True + ) + return ring_atom_df + + +def get_ring_centroids(ring_atom_df: pd.DataFrame) -> pd.DataFrame: + """ + Return aromatic ring centrods. + + A helper function for add_aromatic_interactions. + + Computes the ring centroids for each a particular amino acid's ring + atoms. + + Ring centroids are computed by taking the mean of the x, y, and z + coordinates. + + Parameters: + =========== + - ring_atom_df: a dataframe computed using get_ring_atoms. + - aa: the amino acid under study + Returns: + ======== + - centroid_df: a dataframe containing just the centroid coordinates of + the ring atoms of each residue. + """ + return ( + ring_atom_df.groupby("node_id") + .mean()[["x_coord", "y_coord", "z_coord"]] + .reset_index() + ) + + +def get_edges_by_bond_type( + G: nx.Graph, bond_type: str +) -> List[Tuple[str, str]]: + """ + Return edges of a particular bond type. + + Parameters: + =========== + - bond_type: (str) one of the elements in the variable BOND_TYPES + + Returns: + ======== + - resis: (list) a list of tuples, where each tuple is an edge. + """ + return [ + (n1, n2) for n1, n2, d in G.edges(data=True) if bond_type in d["kind"] + ] + + +def node_coords(G: nx.Graph, n: str) -> Tuple[float, float, float]: + """ + Return the ``x, y, z`` coordinates of a node. + This is a helper function. Simplifies the code. + + :param G: nx.Graph protein structure graph to extract coordinates from + :type G: nx.Graph + :param n: str node ID in graph to extract coordinates from + :type n: str + :return: Tuple of coordinates ``(x, y, z)`` + :rtype: Tuple[float, float, float] + """ + x = G.nodes[n]["x_coord"] + y = G.nodes[n]["y_coord"] + z = G.nodes[n]["z_coord"] + + return x, y, z + + +def add_interacting_resis( + G: nx.Graph, + interacting_atoms: np.ndarray, + dataframe: pd.DataFrame, + kind: List[str], +): + """ + Add interacting residues to graph. + + Returns a list of 2-tuples indicating the interacting residues based + on the interacting atoms. This is most typically called after the + get_interacting_atoms function above. + + Also filters out the list such that the residues have to be at least + two apart. + + ### Parameters + + - interacting_atoms: (numpy array) result from get_interacting_atoms function. + - dataframe: (pandas dataframe) a pandas dataframe that + houses the euclidean locations of each atom. + - kind: (list) the kind of interaction. Contains one + of : + - hydrophobic + - disulfide + - hbond + - ionic + - aromatic + - aromatic_sulphur + - cation_pi + - delaunay + + Returns: + ======== + - filtered_interacting_resis: (set of tuples) the residues that are in + an interaction, with the interaction kind specified + """ + # This assertion/check is present for defensive programming! + for k in kind: + assert k in BOND_TYPES + + resi1 = dataframe.loc[interacting_atoms[0]]["node_id"].values + resi2 = dataframe.loc[interacting_atoms[1]]["node_id"].values + + interacting_resis = set(list(zip(resi1, resi2))) + log.info(f"Found {len(interacting_resis)} {k} interactions.") + for i1, i2 in interacting_resis: + if i1 != i2: + if G.has_edge(i1, i2): + for k in kind: + G.edges[i1, i2]["kind"].add(k) + else: + G.add_edge(i1, i2, kind=set(kind)) diff --git a/graphein/protein_ligand/edges/intramolecular.py b/graphein/protein_ligand/edges/intramolecular.py new file mode 100644 index 000000000..ef2e13405 --- /dev/null +++ b/graphein/protein_ligand/edges/intramolecular.py @@ -0,0 +1,324 @@ +"""Featurization functions for graph edges.""" +# Graphein +# Author: Arian Jamasb , Eric Ma, Charlie Harris +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +import logging +import os +import subprocess +from pathlib import Path +from typing import Optional + +import networkx as nx +import pandas as pd + +from graphein.protein.utils import download_pdb + +log = logging.getLogger(__name__) + + +def peptide_bonds(G: nx.Graph) -> nx.Graph: + """ + Adds peptide backbone to residues in each chain + + :param G: nx.Graph protein graph + :type G: nx.Graph + :returns: nx.Graph protein graph with added peptide bonds + :rtype: nx.Graph + """ + log.debug("Adding peptide bonds to graph") + # Iterate over every chain + for chain_id in G.graph["chain_ids"]: + # Find chain residues + chain_residues = [ + (n, v) for n, v in G.nodes(data=True) if v["chain_id"] == chain_id + ] + + # Iterate over every residue in chain + for i, residue in enumerate(chain_residues): + # Checks not at chain terminus - is this versatile enough? + if i == len(chain_residues) - 1: + continue + # Asserts residues are on the same chain + cond_1 = ( + residue[1]["chain_id"] == chain_residues[i + 1][1]["chain_id"] + ) + # Asserts residue numbers are adjacent + cond_2 = ( + abs( + residue[1]["residue_number"] + - chain_residues[i + 1][1]["residue_number"] + ) + == 1 + ) + + # If this checks out, we add a peptide bond + if cond_1 and cond_2: + # Adds "peptide_bond" between current residue and the next + if G.has_edge(i, i + 1): + G.edges[i, i + 1]["kind"].add("peptide_bond") + else: + G.add_edge( + residue[0], + chain_residues[i + 1][0], + kind={"peptide_bond"}, + ) + else: + continue + return G + + +#################################### +# # +# GetContacts Interactions # +# # +#################################### + + +def get_contacts_df(config: GetContactsConfig, pdb_name: str) -> pd.DataFrame: + """ + Reads GetContact File and returns it as a pd.DataFrame + + :param config: GetContactsConfig object + :type config: GetContactsConfig + :param pdb_name: Name of PDB file. Contacts files are name {pdb_name}_contacts.tsv + :type pdb_name: str + :return: DataFrame of prased GetContacts output + :rtype: pd.DataFrame + """ + if not config.contacts_dir: + config.contacts_dir = Path("/tmp/") + + contacts_file = config.contacts_dir / (pdb_name + "_contacts.tsv") + + # Check for existence of GetContacts file + if not os.path.isfile(contacts_file): + log.info("GetContacts file not found. Running GetContacts...") + run_get_contacts(config, pdb_name) + + contacts_df = read_contacts_file(config, contacts_file) + + # remove temp GetContacts file + if config.contacts_dir == "/tmp/": + os.remove(contacts_file) + + return contacts_df + + +def run_get_contacts( + config: GetContactsConfig, + pdb_id: Optional[str] = None, + file_name: Optional[str] = None, +): + """ + Runs GetContacts on a protein structure. If no file_name is provided, a PDB file is downloaded for the pdb_id + + :param config: GetContactsConfig object containing GetContacts parameters + :type config: graphein.protein.config.GetContactsConfig + :param pdb_id: 4-character PDB accession code + :type pdb_id: str, optional + :param file_name: PDB_name file to use, if annotations to be retrieved from the PDB + :type file_name: str, optional + """ + # Check for GetContacts Installation + assert os.path.isfile( + f"{config.get_contacts_path}/get_static_contacts.py" + ), "No GetContacts Installation Detected. Please install from: https://getcontacts.github.io" + + # Check for existence of pdb file. If not, download it. + if not os.path.isfile(config.pdb_dir / file_name): + log.debug( + f"No pdb file found for {config.pdb_dir / file_name}. Checking pdb_id..." + ) + if not os.path.isfile(config.pdb_dir / pdb_id): + log.debug( + f"No pdb file found for {config.pdb_dir / pdb_id}. Downloading..." + ) + pdb_file = download_pdb(config, pdb_id) + else: + pdb_file = config.pdb_dir + pdb_id + ".pdb" + + # Run GetContacts + command = f"{config.get_contacts_path}/get_static_contacts.py " + command += f"--structure {pdb_file} " + command += f'--output {(config.contacts_dir / (pdb_id + "_contacts.tsv")).as_posix()} ' + command += "--itypes all" # --sele "protein"' + + log.info(f"Running GetContacts with command: {command}") + + subprocess.run(command, shell=True) + + # Check it all checks out + assert os.path.isfile(config.contacts_dir / (pdb_id + "_contacts.tsv")) + log.info(f"Computed Contacts for: {pdb_id}") + + +def read_contacts_file( + config: GetContactsConfig, contacts_file: str +) -> pd.DataFrame: + """ + Parses GetContacts file to an edgelist (pd.DataFrame) + + :param config: GetContactsConfig object (graphein.protein.config.GetContactsConfig) + :type config: GetContactsConfig + :param contacts_file: file name of contacts file + :type contacts_file: str + :return: Pandas Dataframe of edge list + :rtype: pd.DataFrame + """ + log.debug(f"Parsing GetContacts output file at: {contacts_file}") + + contacts_file = open(contacts_file, "r").readlines() + contacts = [] + + # Extract every contact and residue types + for contact in contacts_file[2:]: + contact = contact.strip().split("\t") + + interaction_type = contact[1] + res1 = contact[2] + res2 = contact[3] + + # Remove atom names if not using atom granularity + if config.granularity != "atom": + res1 = res1.split(":") + res2 = res2.split(":") + + res1 = res1[0] + ":" + res1[1] + ":" + res1[2] + res2 = res2[0] + ":" + res2[1] + ":" + res2[2] + + contacts.append([res1, res2, interaction_type]) + + edges = pd.DataFrame( + contacts, columns=["res1", "res2", "interaction_type"] + ) + + return edges.drop_duplicates() + + +def add_contacts_edge(G: nx.Graph, interaction_type: str) -> nx.Graph: + """ + Adds specific interaction types to the protein graph. + + :param G: networkx protein graph + :type G: nx.Graph + :param interaction_type: interaction type to be added + :type interaction_type: str + :return G: nx.Graph with specified interaction-based edges added. + :rtype: nx.Graph + """ + log.debug(f"Adding {interaction_type} edges to graph") + + if "contacts_df" not in G.graph: + log.info("No 'contacts_df' found in G.graph. Running GetContacts.") + + G.graph["contacts_df"] = get_contacts_df( + G.graph["config"].get_contacts_config, G.graph["pdb_id"] + ) + + contacts = G.graph["contacts_df"] + + # Select specific interaction type + interactions = contacts.loc[ + contacts["interaction_type"] == interaction_type + ] + + for label, [res1, res2, interaction_type] in interactions.iterrows(): + # Check residues are actually in graph + if not (G.has_node(res1) and G.has_node(res2)): + continue + + if G.has_edge(res1, res2): + G.edges[res1, res2]["kind"].add(interaction_type) + else: + G.add_edge(res1, res2, kind={interaction_type}) + + return G + + +def hydrogen_bond(G: nx.Graph) -> nx.Graph: + """ + Adds hydrogen bonds to protein structure graph + + :param G: nx.Graph to add hydrogen bonds to + :type G: nx.Graph + :return: nx.Graph with hydrogen bonds added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "hb") + + +def salt_bridge(G: nx.Graph) -> nx.Graph: + """ + Adds salt bridges to protein structure graph + + :param G: nx.Graph to add salt bridges to + :type G: nx.Graph + :return: nx.Graph with salt bridges added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "sb") + + +def pi_cation(G: nx.Graph) -> nx.Graph: + """ + Adds pi-cation interactions to protein structure graph + + :param G: nx.Graph to add pi-cation interactions to + :type G: nx.Graph + :return: nx.Graph with pi-pi_cation interactions added + :rtype: nx.Graph + """ + + return add_contacts_edge(G, "pc") + + +def pi_stacking(G: nx.Graph) -> nx.Graph: + """ + Adds pi-stacking interactions to protein structure graph + + :param G: nx.Graph to add pi-stacking interactions to + :type G: nx.Graph + :return: nx.Graph with pi-stacking interactions added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "ps") + + +def t_stacking(G: nx.Graph) -> nx.Graph: + """ + Adds t-stacking interactions to protein structure graph + + :param G: nx.Graph to add t-stacking interactions to + :type G: nx.Graph + :return: nx.Graph with t-stacking interactions added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "ts") + + +def hydrophobic(G: nx.Graph) -> nx.Graph: + """ + Adds hydrophobic interactions to protein structure graph + + :param G: nx.Graph to add hydrophobic interaction edges to + :type G: nx.Graph + :return: nx.Graph with hydrophobic interactions added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "hp") + + +def van_der_waals(G: nx.Graph) -> nx.Graph: + """ + Adds van der Waals interactions to protein structure graph + + :param G: nx.Graph to add van der Waals interactions to + :type G: nx.Graph + :return: nx.Graph with van der Waals interactions added + :rtype: nx.Graph + """ + return add_contacts_edge(G, "vdw") diff --git a/graphein/protein_ligand/features/__init__.py b/graphein/protein_ligand/features/__init__.py new file mode 100644 index 000000000..5b394fc48 --- /dev/null +++ b/graphein/protein_ligand/features/__init__.py @@ -0,0 +1,6 @@ +from .data import * +from .graph import * +from .nodes import * +from .pretrained_models import * +from .sequence import * +from .utils import * diff --git a/graphein/protein_ligand/features/data/__init__.py b/graphein/protein_ligand/features/data/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/graphein/protein_ligand/features/graph/__init__.py b/graphein/protein_ligand/features/graph/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/graphein/protein_ligand/features/nodes/__init__.py b/graphein/protein_ligand/features/nodes/__init__.py new file mode 100644 index 000000000..ffaea76ed --- /dev/null +++ b/graphein/protein_ligand/features/nodes/__init__.py @@ -0,0 +1,4 @@ +from .amino_acid import * +from .atom_type import * +from .dssp import * +from .geometry import * diff --git a/graphein/protein_ligand/features/nodes/aaindex.py b/graphein/protein_ligand/features/nodes/aaindex.py new file mode 100644 index 000000000..8e8e9aae5 --- /dev/null +++ b/graphein/protein_ligand/features/nodes/aaindex.py @@ -0,0 +1,67 @@ +import logging +from typing import Dict, Tuple + +import networkx as nx + +from graphein.utils.utils import import_message, protein_letters_3to1_all_caps + +log = logging.getLogger(__name__) + + +try: + from pyaaisc import Aaindex +except ImportError: + message = import_message( + submodule="graphein.protein.features.nodes.aaindex", + package="pyaaisc", + pip_install=True, + ) + log.warning(message) + + +def fetch_AAIndex(accession: str) -> Tuple[str, Dict[str, float]]: + """ + Fetches AAindex1 dictionary from an accession code. The dictionary maps one-letter AA codes to float values + + :param accession: Aaindex1 accession code + :type accession: str + :return: tuple of record titel(str) and dictionary of AA:value mappings + :rtype: Tuple[str, Dict[str, float]] + """ + # Initialise AAindex object and get data + aaindex = Aaindex() + record = aaindex.get(accession) + + return record.title, record.index_data + + +def aaindex1(G: nx.Graph, accession: str) -> nx.Graph: + """Adds AAIndex1 datavalues for a given accession as node features. + + :param G: nx.Graph protein structure graphein to featurise + :type G: nx.Graph + :param accession: AAIndex1 accession code for values to use + :type accession: str + :return: Protein Structure graph with AAindex1 node features added + :rtype: nx.Graph + """ + + title, index_data = fetch_AAIndex(accession) + + # TODO: change to allow for a list of all accession numbers? + G.graph["aaindex1"] = accession + ": " + title + + if G.graph["config"].granularity == "atom": + raise NameError( + "AAIndex features cannot be added to atom granularity graph" + ) + + for n in G.nodes: + residue = n.split(":")[1] + residue = protein_letters_3to1_all_caps(residue) + + aaindex = index_data[residue] + + G.nodes[n][f"aaindex1_{accession}"] = aaindex + + return G diff --git a/graphein/protein_ligand/features/nodes/amino_acid.py b/graphein/protein_ligand/features/nodes/amino_acid.py new file mode 100644 index 000000000..c64542d4c --- /dev/null +++ b/graphein/protein_ligand/features/nodes/amino_acid.py @@ -0,0 +1,252 @@ +"""Featurization functions for amino acids.""" +# Graphein +# Author: Arian Jamasb , Eric Ma +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein + +import logging +from functools import lru_cache +from pathlib import Path +from typing import Any, Dict, List, Optional, Union + +import numpy as np +import pandas as pd + +from graphein.protein.resi_atoms import ( + BASE_AMINO_ACIDS, + HYDROGEN_BOND_ACCEPTORS, + HYDROGEN_BOND_DONORS, + RESI_THREE_TO_1, +) +from graphein.utils.utils import onek_encoding_unk + +log = logging.getLogger(__name__) + + +@lru_cache() +def load_expasy_scales() -> pd.DataFrame: + """ + Load pre-downloaded EXPASY scales. + + This helps with node featuarization. + + The function is LRU-cached in memory for fast access + on each function call. + + :returns: pd.DataFrame containing expasy scales + :rtype: pd.DataFrame + """ + fpath = Path(__file__).parent / "amino_acid_properties.csv" + log.debug(f"Reading Expasy protein scales from: {fpath}") + return pd.read_csv(fpath, index_col=0) + + +@lru_cache() +def load_meiler_embeddings() -> pd.DataFrame: + """ + Load pre-downloaded Meiler embeddings. + + This helps with node featurization. + + The function is LRU-cached in memory for fast access + on each function call. + + :returns: pd.DataFrame containing Meiler Embeddings from Meiler et al. 2001 + :rtype: pd.DataFrame + """ + fpath = Path(__file__).parent / "meiler_embeddings.csv" + log.debug(f"Reading meiler embeddings from: {fpath}") + return pd.read_csv(fpath, index_col=0) + + +def expasy_protein_scale( + n, + d, + selection: Optional[List[str]] = None, + add_separate: bool = False, + return_array: bool = False, +) -> Union[pd.Series, np.ndarray]: + """ + Return amino acid features that come from the EXPASY protein scale. + + Source: https://web.expasy.org/protscale/ + + :param n: Node in a NetworkX graph + :param d: NetworkX node attributes. + :param selection: List of columns to select. Viewable in graphein.protein.features.nodes.meiler_embeddings + :type selection: List[str], optional + :param add_separate: Whether or not to add the expasy features as indvidual entries or as a series. + :param return_array: Bool indicating whether or not to return a np.ndarray of the features. Default is pd.Series + :type return_array: bool + :returns: pd.Series of amino acid features + :rtype: pd.Series + """ + df = load_expasy_scales() + amino_acid = d["residue_name"] + try: + features = df[amino_acid] + if selection is not None: + features = features.filter(selection) + except: + features = pd.Series(np.zeros(len(df))) + + if return_array: + features = np.array(features) + + if add_separate: + for k, v in features.to_dict().items(): + d[k] = v + else: + d["expasy"] = features + + return features + + +def meiler_embedding( + n, d, return_array: bool = False +) -> Union[pd.Series, np.array]: + """ + Return amino acid features from reduced dimensional embeddings of amino acid physicochemical properties. + + Source: https://link.springer.com/article/10.1007/s008940100038 + doi: https://doi.org/10.1007/s008940100038 + + :param n: Node in a NetworkX graph + :param d: NetworkX node attributes. + :returns: pd.Series of amino acid features + :rtype: pd.Series + """ + + if "residue_name" in d: + df = load_meiler_embeddings() + amino_acid = d["residue_name"] + try: + features = df[amino_acid] + except: + features = pd.Series(np.zeros(len(df))) + + if return_array: + features = np.array(features) + + d["meiler"] = features + + return features + + +def amino_acid_one_hot( + n, + d: Dict[str, Any], + return_array: bool = True, + allowable_set: Optional[List[str]] = None, +) -> Union[pd.Series, np.ndarray]: + """Adds a one-hot encoding of amino acid types as a node attribute. + + :param n: node name, this is unused and only included for compatibility with the other functions + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :param return_array: If True, returns a numpy array of one-hot encoding, otherwise returns a pd.Series. Default is True. + :type return_array: bool + :param allowable_set: Specifies vocabulary of amino acids. Default is None (which uses `graphein.protein.resi_atoms.STANDARD_AMINO_ACIDS`). + :return: One-hot encoding of amino acid types + :rtype: Union[pd.Series, np.ndarray] + """ + if "residue_name" in d: + if allowable_set is None: + allowable_set = BASE_AMINO_ACIDS + + features = onek_encoding_unk( + RESI_THREE_TO_1[d["residue_name"]], allowable_set + ) + + if return_array: + features = np.array(features).astype(int) + else: + features = pd.Series(features).astype(int) + features.index = allowable_set + + d["amino_acid_one_hot"] = features + return features + + +def hydrogen_bond_donor( + n: str, + d: Dict[str, Any], + sum_features: bool = True, + return_array: bool = False, +) -> pd.Series: + """Adds Hydrogen Bond Donor status to nodes as a feature. + + :param n: node id + :type n: str + :param d: Dict of node attributes + :type d: Dict[str, Any] + :param sum_features: If ``True``, the feature is the number of hydrogen bond donors per node. + If ``False``, the feature is a boolean indicating whether or not the node has a hydrogen + bond donor. Default is ``True``. + :type sum_features: bool + :param return_array: If ``True``, returns a ``np.ndarray``, otherwise returns a ``pd.Series``. Default is ``True``. + :type return_array: bool + """ + node_id = n.split(":") + res = node_id[1] + if len(node_id) == 4: # Atomic graph + atom = node_id[-1] + try: + features = HYDROGEN_BOND_DONORS[res][atom] + except KeyError: + features = 0 + elif len(node_id) == 3: # Residue graph + if res not in HYDROGEN_BOND_DONORS.keys(): + features = 0 + else: + features = sum(HYDROGEN_BOND_DONORS[res].values()) + + if return_array: + features = np.array(features).astype(int) + else: + features = pd.Series(features).astype(int) + if not sum_features: + features = np.array(features > 0).astype(int) + + d["hbond_donors"] = features + + +def hydrogen_bond_acceptor( + n, d, sum_features: bool = True, return_array: bool = False +) -> pd.Series: + """Adds Hydrogen Bond Acceptor status to nodes as a feature." + + :param n: node id + :type n: str + :param d: Dict of node attributes + :type d: Dict[str, Any] + :param sum_features: If ``True``, the feature is the number of hydrogen bond acceptors per node. + If ``False``, the feature is a boolean indicating whether or not the node has a hydrogen + bond acceptor. Default is ``True``. + :type sum_features: bool + :param return_array: If ``True``, returns a ``np.ndarray``, otherwise returns a ``pd.Series``. Default is ``True``. + :type return_array: bool + """ + node_id = n.split(":") + res = node_id[1] + if len(node_id) == 4: # Atomic graph + atom = node_id[-1] + try: + features = HYDROGEN_BOND_ACCEPTORS[res][atom] + except KeyError: + features = 0 + elif len(node_id) == 3: # Residue graph + if res not in HYDROGEN_BOND_ACCEPTORS.keys(): + features = 0 + else: + features = sum(HYDROGEN_BOND_ACCEPTORS[res].values()) + + if return_array: + features = np.array(features).astype(int) + else: + features = pd.Series(features).astype(int) + if not sum_features: + features = np.array(features > 0).astype(int) + d["hbond_acceptors"] = features diff --git a/graphein/protein_ligand/features/nodes/amino_acid_properties.csv b/graphein/protein_ligand/features/nodes/amino_acid_properties.csv new file mode 100644 index 000000000..7798d0198 --- /dev/null +++ b/graphein/protein_ligand/features/nodes/amino_acid_properties.csv @@ -0,0 +1,62 @@ +,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL +pka_cooh_alpha,2.35,2.18,2.18,1.88,1.71,2.17,2.19,2.34,1.78,2.32,2.36,2.2,2.28,2.58,1.99,2.21,2.15,2.38,2.2,2.29 +pka_nh3,9.87,9.09,9.09,9.6,10.78,9.13,9.67,9.6,8.97,9.76,9.6,8.9,9.21,9.24,10.6,9.15,9.12,9.39,9.11,9.74 +pka_rgroup,7.0,13.2,13.2,3.65,8.33,7.0,4.25,7.0,5.97,7.0,7.0,10.28,7.0,7.0,7.0,7.0,7.0,7.0,10.07,7.0 +isoelectric_points,6.11,10.76,10.76,2.98,5.02,5.65,3.08,6.06,7.64,6.04,6.04,9.47,5.74,5.91,6.3,5.68,5.6,5.88,5.63,6.02 +molecularweight,89.0,174.0,132.0,133.0,121.0,146.0,147.0,75.0,155.0,131.0,131.0,146.0,149.0,165.0,115.0,105.0,119.0,204.0,181.0,117.0 +numbercodons,4.0,6.0,2.0,2.0,1.0,2.0,2.0,4.0,2.0,3.0,6.0,2.0,1.0,2.0,4.0,6.0,4.0,1.0,2.0,4.0 +bulkiness,11.5,14.28,12.82,11.68,13.46,14.45,13.57,3.4,13.69,21.4,21.4,15.71,16.25,19.8,17.43,9.47,15.77,21.67,18.03,21.57 +polarityzimmerman,0.0,52.0,3.38,49.7,1.48,3.53,49.9,0.0,51.6,0.13,0.13,49.5,1.43,0.35,1.58,1.67,1.66,2.1,1.61,0.13 +polaritygrantham,8.1,10.5,11.6,13.0,5.5,10.5,12.3,9.0,10.4,5.2,4.9,11.3,5.7,5.2,8.0,9.2,8.6,5.4,6.2,5.9 +refractivity,4.34,26.66,13.28,12.0,35.77,17.56,17.26,0.0,21.81,19.06,18.78,21.29,21.64,29.4,10.93,6.35,11.01,42.53,31.53,13.92 +recognitionfactors,78.0,95.0,94.0,81.0,89.0,87.0,78.0,84.0,84.0,88.0,85.0,87.0,80.0,81.0,91.0,107.0,93.0,104.0,84.0,89.0 +hphob_eisenberg,0.62,-2.53,-0.78,-0.9,0.29,-0.85,-0.74,0.48,-0.4,1.38,1.06,-1.5,0.64,1.19,0.12,-0.18,-0.05,0.81,0.26,1.08 +hphob_sweet,-0.4,-0.59,-0.92,-1.31,0.17,-0.91,-1.22,-0.67,-0.64,1.25,1.22,-0.67,1.02,1.92,-0.49,-0.55,-0.28,0.5,1.67,0.91 +hphob_woods,-0.5,3.0,0.2,3.0,-1.0,0.2,3.0,0.0,-0.5,-1.8,-1.8,3.0,-1.3,-2.5,0.0,0.3,-0.4,-3.4,-2.3,-1.5 +hphob_doolittle,1.8,-4.5,-3.5,-3.5,2.5,-3.5,-3.5,-0.4,-3.2,4.5,3.8,-3.9,1.9,2.8,-1.6,-0.8,-0.7,-0.9,-1.3,4.2 +hphob_manavalan,12.97,11.72,11.42,10.85,14.63,11.76,11.89,12.43,12.16,15.67,14.9,11.36,14.39,14.0,11.37,11.23,11.69,13.93,13.42,15.71 +hphob_leo,0.44,-2.42,-1.32,-0.31,0.58,-0.71,-0.34,0.0,-0.01,2.46,2.46,-2.45,1.1,2.54,1.29,-0.84,-0.41,2.56,1.63,1.73 +hphob_black,0.616,0.0,0.236,0.028,0.68,0.251,0.043,0.501,0.165,0.943,0.943,0.283,0.738,1.0,0.711,0.359,0.45,0.878,0.88,0.825 +hphob_breese,0.61,0.69,0.89,0.61,0.36,0.97,0.51,0.81,0.69,-1.45,-1.65,0.46,-0.66,-1.52,-0.17,0.42,0.29,-1.2,-1.43,-0.75 +hphob_fauchere,0.31,-1.01,-0.6,-0.77,1.54,-0.22,-0.64,0.0,0.13,1.8,1.7,-0.99,1.23,1.79,0.72,-0.04,0.26,2.25,0.96,1.22 +hphob_guy,0.1,1.91,0.48,0.78,-1.42,0.95,0.83,0.33,-0.5,-1.13,-1.18,1.4,-1.59,-2.12,0.73,0.52,0.07,-0.51,-0.21,-1.27 +hphob_janin,0.3,-1.4,-0.5,-0.6,0.9,-0.7,-0.7,0.3,-0.1,0.7,0.5,-1.8,0.4,0.5,-0.3,-0.1,-0.2,0.3,-0.4,0.6 +hphob_miyazawa,5.33,4.18,3.71,3.59,7.93,3.87,3.65,4.48,5.1,8.83,8.47,2.95,8.95,9.03,3.87,4.09,4.49,7.66,5.89,7.63 +hphob_argos,1.36,0.15,0.33,0.11,1.27,0.33,0.25,1.09,0.68,1.44,1.47,0.09,1.42,1.57,0.54,0.97,1.08,1.0,0.83,1.37 +hphob_roseman,0.39,-3.95,-1.91,-3.81,0.25,-1.3,-2.91,0.0,-0.64,1.82,1.82,-2.77,0.96,2.27,0.99,-1.24,-1.0,2.13,1.47,1.3 +hphob_tanford,0.62,-2.53,-0.78,-0.09,0.29,-0.85,-0.74,0.48,-0.4,1.38,1.53,-1.5,0.64,1.19,0.12,-0.18,-0.05,0.81,0.26,1.8 +hphob_wolfenden,1.94,-19.92,-9.68,-10.95,-1.24,-9.38,-10.2,2.39,-10.27,2.15,2.28,-9.52,-1.48,-0.76,0.0,-5.06,-4.88,-5.88,-6.11,1.99 +hphob_welling,1.15,0.58,-0.77,0.65,-1.2,-0.11,-0.71,-1.84,3.12,-2.92,0.75,2.06,-3.85,-1.41,-0.53,-0.26,-0.45,-1.14,0.13,-0.13 +hphob_wilson,-0.3,-1.1,-0.2,-1.4,6.3,-0.2,0.0,1.2,-1.3,4.3,6.6,-3.6,2.5,7.5,2.2,-0.6,-2.2,7.9,7.1,5.9 +hphob_parker,2.1,4.2,7.0,10.0,1.4,6.0,7.8,5.7,2.1,-8.0,-9.2,5.7,-4.2,-9.2,2.1,6.5,5.2,-10.0,-1.9,-3.7 +hphob_ph3_4,0.42,-1.56,-1.03,-0.51,0.84,-0.96,-0.37,0.0,-2.28,1.81,1.8,-2.03,1.18,1.74,0.86,-0.64,-0.26,1.46,0.51,1.34 +hphob_ph7_5,0.35,-1.5,-0.99,-2.15,0.76,-0.93,-1.95,0.0,-0.65,1.83,1.8,-1.54,1.1,1.69,0.84,-0.63,-0.27,1.35,0.39,1.32 +hphob_mobility,5.1,2.0,0.6,0.7,0.0,1.4,1.8,4.1,1.6,9.3,10.0,1.3,8.7,9.6,4.9,3.1,3.5,9.2,8.0,8.5 +hplchfba,3.9,3.2,-2.8,-2.8,-14.3,1.8,-7.5,-2.3,2.0,11.0,15.0,-2.5,4.1,14.7,5.6,-3.5,1.1,17.8,3.8,2.1 +hplctfa,7.3,-3.6,-5.7,-2.9,-9.2,-0.3,-7.1,-1.2,-2.1,6.6,20.0,-3.7,5.6,19.2,5.1,-4.1,0.8,16.3,5.9,3.5 +transmembranetendency,0.38,-2.57,-1.62,-3.27,-0.3,-1.84,-2.9,-0.19,-1.44,1.97,1.82,-3.46,1.4,1.98,-1.44,-0.53,-0.32,1.53,0.49,1.46 +hplc2_1,-0.1,-4.5,-1.6,-2.8,-2.2,-2.5,-7.5,-0.5,0.8,11.8,10.0,-3.2,7.1,13.9,8.0,-3.7,1.5,18.1,8.2,3.3 +hplc7_4,0.5,0.8,0.8,-8.2,-6.8,-4.8,-16.9,0.0,-3.5,13.9,8.8,0.1,4.8,13.2,6.1,1.2,2.7,14.9,6.1,2.7 +buriedresidues,11.2,0.5,2.9,2.9,4.1,1.6,1.8,11.8,2.0,8.6,11.7,0.5,1.9,5.1,2.7,8.0,4.9,2.2,2.6,12.9 +accessibleresidues,6.6,4.5,6.7,7.7,0.9,5.2,5.7,6.7,2.5,2.8,4.8,10.3,1.0,2.4,4.8,9.4,7.0,1.4,5.1,4.5 +hphob_chothia,0.38,0.01,0.12,0.15,0.5,0.07,0.18,0.36,0.17,0.6,0.45,0.03,0.4,0.5,0.18,0.22,0.23,0.27,0.15,0.54 +hphob_rose,0.74,0.64,0.63,0.62,0.91,0.62,0.62,0.72,0.78,0.88,0.85,0.52,0.85,0.88,0.64,0.66,0.7,0.85,0.76,0.86 +ratioside,0.0,0.65,1.33,1.38,2.75,0.89,0.92,0.74,0.58,0.0,0.0,0.33,0.0,0.0,0.39,1.42,0.71,0.13,0.2,0.0 +averageburied,86.6,162.2,103.3,97.8,132.3,119.2,113.9,62.9,155.8,158.0,164.1,115.5,172.9,194.1,92.9,85.6,106.5,224.6,177.7,141.0 +averageflexibility,0.36,0.53,0.46,0.51,0.35,0.49,0.5,0.54,0.32,0.46,0.37,0.47,0.3,0.31,0.51,0.51,0.44,0.31,0.42,0.39 +alpha_helixfasman,1.42,0.98,0.67,1.01,0.7,1.11,1.51,0.57,1.0,1.08,1.21,1.16,1.45,1.13,0.57,0.77,0.83,1.08,0.69,1.06 +beta_sheetfasman,0.83,0.93,0.89,0.54,1.19,1.1,0.37,0.75,0.87,1.6,1.3,0.74,1.05,1.38,0.55,0.75,1.19,1.37,1.47,1.7 +beta_turnfasman,0.66,0.95,1.56,1.46,1.19,0.98,0.74,1.56,0.95,0.47,0.59,1.01,0.6,0.6,1.52,1.43,0.96,0.96,1.14,0.5 +alpha_helixroux,1.489,1.224,0.772,0.924,0.966,1.164,1.504,0.51,1.003,1.003,1.236,1.172,1.363,1.195,0.492,0.739,0.785,1.09,0.787,0.99 +beta_sheetroux,0.709,0.92,0.604,0.541,1.191,0.84,0.567,0.657,0.863,1.799,1.261,0.721,1.21,1.393,0.354,0.928,1.221,1.306,1.266,1.965 +beta_turnroux,0.788,0.912,1.572,1.197,0.965,0.997,1.149,1.86,0.97,0.24,0.67,1.302,0.436,0.624,1.415,1.316,0.739,0.546,0.795,0.387 +coilroux,0.824,0.893,1.167,1.197,0.953,0.947,0.761,1.251,1.068,0.886,0.81,0.897,0.81,0.797,1.54,1.13,1.148,0.941,1.109,0.772 +alpha_helixlevitt,1.29,0.96,0.9,1.04,1.11,1.27,1.44,0.56,1.22,0.97,1.3,1.23,1.47,1.07,0.52,0.82,0.82,0.99,0.72,0.91 +beta_sheetlevitt,0.9,0.99,0.76,0.72,0.74,0.8,0.75,0.92,1.08,1.45,1.02,0.77,0.97,1.32,0.64,0.95,1.21,1.14,1.25,1.49 +beta_turnlevitt,0.77,0.88,1.28,1.41,0.81,0.98,0.99,1.64,0.68,0.51,0.58,0.96,0.41,0.59,1.91,1.32,1.04,0.76,1.05,0.47 +totalbeta_strand,0.92,0.93,0.6,0.48,1.16,0.95,0.61,0.61,0.93,1.81,1.3,0.7,1.19,1.25,0.4,0.82,1.12,1.54,1.53,1.81 +antiparallelbeta_strand,0.9,1.02,0.62,0.47,1.24,1.18,0.62,0.56,1.12,1.54,1.26,0.74,1.09,1.23,0.42,0.87,1.3,1.75,1.68,1.53 +parallelbeta_strand,1.0,0.68,0.54,0.5,0.91,0.28,0.59,0.79,0.38,2.6,1.42,0.59,1.49,1.3,0.35,0.7,0.59,0.89,1.08,2.63 +a_a_composition,8.3,5.7,4.4,5.3,1.7,4.0,6.2,7.2,2.2,5.2,9.0,5.7,2.4,3.9,5.1,6.9,5.8,1.3,3.2,6.6 +a_a_swiss_prot,8.25,5.53,4.06,5.45,1.37,3.93,6.75,7.07,2.27,5.96,9.66,5.84,2.42,3.86,4.7,6.56,5.34,1.08,2.92,6.87 +relativemutability,100.0,65.0,134.0,106.0,20.0,93.0,102.0,49.0,66.0,96.0,40.0,56.0,94.0,41.0,56.0,120.0,97.0,18.0,41.0,74.0 diff --git a/graphein/protein_ligand/features/nodes/atom_type.py b/graphein/protein_ligand/features/nodes/atom_type.py new file mode 100644 index 000000000..50f826249 --- /dev/null +++ b/graphein/protein_ligand/features/nodes/atom_type.py @@ -0,0 +1,313 @@ +"""Functions for featurising Small Molecule Graphs.""" +# %% +# Graphein +# Author: Arian Jamasb , Yuanqi Du +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +from typing import Any, Dict, List, Optional + +import numpy as np +import pandas as pd + +from graphein.molecule.atoms import BASE_ATOMS +from graphein.utils.utils import onek_encoding_unk + + +def atom_type_one_hot( + n, + d: Dict[str, Any], + return_array: bool = True, + allowable_set: Optional[List[str]] = None, +) -> np.ndarray: + """Adds a one-hot encoding of atom types as a node attribute. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data. + :type d: Dict[str, Any] + :param return_array: If ``True``, returns a numpy ``np.ndarray`` of one-hot encoding, otherwise returns a ``pd.Series``. Default is ``True``. + :type return_array: bool + :param allowable_set: Specifies vocabulary of amino acids. Default is ``None`` (which uses `graphein.molecule.atoms.BASE_ATOMS`). + :return: One-hot encoding of amino acid types. + :rtype: Union[pd.Series, np.ndarray] + """ + + if "element_symbol" in d: + if allowable_set is None: + allowable_set = BASE_ATOMS + + features = onek_encoding_unk(d["element_symbol"], allowable_set) + + if return_array: + features = np.array(features).astype(int) + else: + features = pd.Series(features).astype(int) + features.index = allowable_set + + d["atom_type_one_hot"] = features + return features + + +# TODO: below atom features dependent on rdkit, need to fix further +def degree(n: str, d: Dict[str, Any]) -> int: + """Adds the degree of the node to the node data. + + N.B. this is the degree as defined by RDKit rather than the 'true' degree of the node in the graph. For the latter, use nx.degree() + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Degree of the atom. + :rtype: int + """ + degree = d["rdmol_atom"].GetDegree() + d["degree"] = degree + return degree + + +def total_degree(n: str, d: Dict[str, Any]) -> int: + """Adds the total degree of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data. + :type d: Dict[str, Any] + :return: Total degree of the atom. + :rtype: int + """ + total_degree = d["rdmol_atom"].GetTotalDegree() + d["total_degree"] = total_degree + return total_degree + + +def total_valence(n: str, d: Dict[str, Any]) -> int: + """Adds the total valence of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data. + :type d: Dict[str, Any] + :return: Total valence of the atom. + :rtype: int + """ + total_valence = d["rdmol_atom"].GetTotalValence() + d["total_valence"] = total_valence + return total_valence + + +def explicit_valence(n: str, d: Dict[str, Any]) -> int: + """Adds explicit valence of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Explicit valence of the atom. + :rtype: int + """ + explicit_valence = d["rdmol_atom"].GetExplicitValence() + d["explicit_valence"] = explicit_valence + return explicit_valence + + +def implicit_valence(n: str, d: Dict[str, Any]) -> int: + """Adds implicit valence of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Implicit valence of the atom. + :rtype: int + """ + implicit_valence = d["rdmol_atom"].GetImplicitValence() + d["implicit_valence"] = implicit_valence + return implicit_valence + + +def num_implicit_h(n: str, d: Dict[str, Any]) -> int: + """Adds the number of implicit Hydrogens of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Number of implicit Hydrogens of the atom. + :rtype: int + """ + implicit_hs = d["rdmol_atom"].GetNumImplicitHs() + d["num_implicit_h"] = implicit_hs + return implicit_hs + + +def num_explicit_h(n: str, d: Dict[str, Any]) -> int: + """Adds the number of explicit Hydrogens of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Number of explicit Hydrogens of the atom. + :rtype: int + """ + num_explicit_h = d["rdmol_atom"].GetNumExplicitHs() + d["num_explicit_h"] = num_explicit_h + return num_explicit_h + + +def total_num_h(n: str, d: Dict[str, Any]) -> int: + """Adds the total number of Hydrogens of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Total number of Hydrogens of the atom. + :rtype: int + """ + total_num_h = d["rdmol_atom"].GetTotalNumHs() + d["total_num_h"] = total_num_h + return total_num_h + + +def num_radical_electrons(n: str, d: Dict[str, Any]) -> int: + """Adds the number of radical electrons of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Number of radical electrons of the atom. + :rtype: int + """ + num_radical_electrons = d["rdmol_atom"].GetNumRadicalElectrons() + d["num_radical_electrons"] = num_radical_electrons + return num_radical_electrons + + +def formal_charge(n: str, d: Dict[str, Any]) -> int: + """Adds the formal charge of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Formal charge of the atom. + :rtype: int + """ + formal_charge = d["rdmol_atom"].GetFormalCharge() + d["formal_charge"] = formal_charge + return formal_charge + + +def hybridization( + n: str, d: Dict[str, Any] +) -> rdkit.Chem.rdchem.HybridizationType: + """Adds the hybridization of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Hybridization of the atom. + :rtype: rdkit.Chem.rdchem.HybridizationType + """ + hybridization = d["rdmol_atom"].GetHybridization() + d["hybridization"] = hybridization + return hybridization + + +def is_aromatic(n: str, d: Dict[str, Any]) -> bool: + """Adds indicator of aromaticity of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Indicator of aromaticity of the atom. + :rtype: bool + """ + aromatic = d["rdmol_atom"].GetIsAromatic() + d["is_aromatic"] = aromatic + return aromatic + + +def is_ring(n: str, d: Dict[str, Any]) -> bool: + """Adds indicator of ring membership of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Indicator of ring membership of the atom. + :rtype: bool + """ + ring = d["rdmol_atom"].IsInRing() + d["is_ring"] = ring + return ring + + +def is_ring_size(n: str, d: Dict[str, Any], ring_size: int) -> bool: + """Adds indicator of ring membership of size ``ring_size`` of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data. + :type d: Dict[str, Any] + :param ring_size: The size of the ring to look for. + :type ring_size: int + :return: Indicator of ring membership of size ``ring_size`` of the atom. + :rtype: bool + """ + ring = d["rdmol_atom"].IsInRingSize(ring_size) + d[f"is_ring_{ring_size}"] = ring + return ring + + +def is_isotope(n: str, d: Dict[str, Any]) -> int: + """Adds indicator of whether or not the atom is an isotope to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Indicator of whether or not the atom is an isotope. + :rtype: int + """ + is_isotope = d["rdmol_atom"].GetIsotope() + d["is_isotope"] = is_isotope + return is_isotope + + +def atomic_mass(n: str, d: Dict[str, Any]) -> float: + """Adds mass of the atom to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Mass of the atom. + :rtype: float + """ + mass = d["rdmol_atom"].GetMass() + d["mass"] = mass + return mass + + +def chiral_tag(n: str, d: Dict[str, Any]) -> rdkit.Chem.rdchem.ChiralType: + """Adds indicator of atom chirality to the node data. + + :param n: Node name, this is unused and only included for compatibility with the other functions. + :type n: str + :param d: Node data + :type d: Dict[str, Any] + :return: Indicator of atom chirality. + :rtype: rdkit.Chem.rdchem.ChiralType + """ + tag = d["rdmol_atom"].GetChiralTag() + d["chiral_tag"] = tag + return tag diff --git a/graphein/protein_ligand/features/nodes/dssp.py b/graphein/protein_ligand/features/nodes/dssp.py new file mode 100644 index 000000000..d4cf60fea --- /dev/null +++ b/graphein/protein_ligand/features/nodes/dssp.py @@ -0,0 +1,276 @@ +"""Featurization functions for graph nodes using DSSP predicted features.""" +# Graphein +# Author: Arian Jamasb , Charlie Harris +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +import os +from typing import Any, Dict, Optional + +import networkx as nx +import pandas as pd +from Bio.Data.IUPACData import protein_letters_1to3 +from Bio.PDB.DSSP import dssp_dict_from_pdb_file, residue_max_acc + +from graphein.protein.utils import download_pdb, is_tool + +DSSP_COLS = [ + "chain", + "resnum", + "icode", + "aa", + "ss", + "asa", + "phi", + "psi", + "dssp_index", + "NH_O_1_relidx", + "NH_O_1_energy", + "O_NH_1_relidx", + "O_NH_1_energy", + "NH_O_2_relidx", + "NH_O_2_energy", + "O_NH_2_relidx", + "O_NH_2_energy", +] + +DSSP_SS = ["H", "B", "E", "G", "I", "T", "S"] + + +def parse_dssp_df(dssp: Dict[str, Any]) -> pd.DataFrame: + """ + Parse DSSP output to DataFrame + + :param dssp: Dictionary containing DSSP output + :type dssp: Dict[str, Any] + :return: pd.Dataframe containing parsed DSSP output + :rtype: pd.DataFrame + """ + appender = [] + for k in dssp[1]: + to_append = [] + y = dssp[0][k] + chain = k[0] + residue = k[1] + # het = residue[0] + resnum = residue[1] + icode = residue[2] + to_append.extend([chain, resnum, icode]) + to_append.extend(y) + appender.append(to_append) + + return pd.DataFrame.from_records(appender, columns=DSSP_COLS) + + +def process_dssp_df(df: pd.DataFrame) -> pd.DataFrame: + """ + Processes a DSSP DataFrame to make indexes align with node IDs + + :param df: pd.DataFrame containing the parsed output from DSSP. + :type df: pd.DataFrame + :return: pd.DataFrame with node IDs + :rtype: pd.DataFrame + """ + + # Convert 1 letter aa code to 3 letter + amino_acids = df["aa"].tolist() + + for i, amino_acid in enumerate(amino_acids): + amino_acids[i] = protein_letters_1to3[amino_acid].upper() + df["aa"] = amino_acids + + # Construct node IDs + node_ids = [] + + for i, row in df.iterrows(): + node_id = row["chain"] + ":" + row["aa"] + ":" + str(row["resnum"]) + node_ids.append(node_id) + df["node_id"] = node_ids + + df.set_index("node_id", inplace=True) + + return df + + +def add_dssp_df(G: nx.Graph, dssp_config: Optional[DSSPConfig]) -> nx.Graph: + """ + Construct DSSP dataframe and add as graph level variable to protein graph + + :param G: Input protein graph + :param G: nx.Graph + :param dssp_config: DSSPConfig object. Specifies which executable to run. Located in graphein.protein.config + :type dssp_config: DSSPConfig, optional + :return: Protein graph with DSSP dataframe added + :rtype: nx.Graph + """ + + config = G.graph["config"] + pdb_id = G.graph["pdb_id"] + + # Extract DSSP executable + executable = dssp_config.executable + + # Ensure that DSSP is on PATH and is marked as an executable. + assert is_tool( + executable + ), "DSSP must be on PATH and marked as an executable" + + # Check for existence of pdb file. If not, download it. + if not os.path.isfile(config.pdb_dir / pdb_id): + pdb_file = download_pdb(config, pdb_id) + else: + pdb_file = config.pdb_dir + pdb_id + ".pdb" + + if config.verbose: + print(f"Using DSSP executable '{executable}'") + + # Run DSSP + dssp_dict = dssp_dict_from_pdb_file(pdb_file, DSSP=executable) + dssp_dict = parse_dssp_df(dssp_dict) + dssp_dict = process_dssp_df(dssp_dict) + + if config.verbose: + print(dssp_dict) + + # Assign DSSP Dict + G.graph["dssp_df"] = dssp_dict + + return G + + +def add_dssp_feature(G: nx.Graph, feature: str) -> nx.Graph: + """ + Adds add_dssp_feature specified amino acid feature as calculated + by DSSP to every node in a protein graph + :param G: Protein structure graph to add dssp feature to + :param feature: string specifying name of DSSP feature to add: + "chain", + "resnum", + "icode", + "aa", + "ss", + "asa", + "phi", + "psi", + "dssp_index", + "NH_O_1_relidx", + "NH_O_1_energy", + "O_NH_1_relidx", + "O_NH_1_energy", + "NH_O_2_relidx", + "NH_O_2_energy", + "O_NH_2_relidx", + "O_NH_2_energy", + + These names parse_dssp_df accessible in the DSSP_COLS list + :param G: Protein Graph to add features to + :type G: nx.Graph + :return: Protein structure graph with DSSP feature added to nodes + :rtype: nx.Graph + """ + if "dssp_df" not in G.graph: + G = add_dssp_df(G, G.graph["config"].dssp_config) + + config = G.graph["config"] + dssp_df = G.graph["dssp_df"] + + # Change to not allow for atom granularity? + if config.granularity == "atom": + # TODO confirm below is not needed and remove + """ + # If granularity is atom, apply residue feature to every atom + for n in G.nodes(): + residue = n.split(":") + residue = residue[0] + ":" + residue[1] + ":" + residue[2] + + G.nodes[n][feature] = dssp_df.loc[residue, feature] + """ + raise NameError( + f"DSSP residue features ({feature}) \ + cannot be added to atom granularity graph" + ) + + else: + nx.set_node_attributes(G, dict(dssp_df[feature]), feature) + + if config.verbose: + print("Added " + feature + " features to graph nodes") + + return G + + +def rsa(G: nx.Graph) -> nx.Graph: + """ + Adds RSA (relative solvent accessibility) of each residue in protein graph + as calculated by DSSP. + + :param G: Input protein graph + :type G: nx.Graph + :return: Protein graph with rsa values added + :rtype: nx.Graph + """ + + # Calculate RSA + try: + dssp_df = G.graph["dssp_df"] + except KeyError: + G = add_dssp_df(G, G.graph["config"].dssp_config) + dssp_df = G.graph["dssp_df"] + dssp_df["max_acc"] = dssp_df["aa"].map(residue_max_acc["Sander"].get) + dssp_df[["asa", "max_acc"]] = dssp_df[["asa", "max_acc"]].astype(float) + dssp_df["rsa"] = dssp_df["asa"] / dssp_df["max_acc"] + + G.graph["dssp_df"] = dssp_df + + return add_dssp_feature(G, "rsa") + + +def asa(G: nx.Graph) -> nx.Graph: + """ + Adds ASA of each residue in protein graph as calculated by DSSP. + + :param G: Input protein graph + :type G: nx.Graph + :return: Protein graph with asa values added + :rtype: nx.Graph + """ + return add_dssp_feature(G, "asa") + + +def phi(G: nx.Graph) -> nx.Graph: + """ + Adds phi-angles of each residue in protein graph as calculated by DSSP. + + :param G: Input protein graph + :type G: nx.Graph + :return: Protein graph with phi-angles values added + :rtype: nx.Graph + """ + return add_dssp_feature(G, "phi") + + +def psi(G: nx.Graph) -> nx.Graph: + """ + Adds psi-angles of each residue in protein graph as calculated by DSSP. + + :param G: Input protein graph + :type G: nx.Graph + :return: Protein graph with psi-angles values added + :rtype: nx.Graph + """ + return add_dssp_feature(G, "psi") + + +def secondary_structure(G: nx.Graph) -> nx.Graph: + """ + Adds secondary structure of each residue in protein graph + as calculated by DSSP in the form of a string + + :param G: Input protein graph + :type G: nx.Graph + :return: Protein graph with secondary structure added + :rtype: nx.Graph + """ + return add_dssp_feature(G, "ss") diff --git a/graphein/protein_ligand/features/nodes/geometry.py b/graphein/protein_ligand/features/nodes/geometry.py new file mode 100644 index 000000000..3965cb3c6 --- /dev/null +++ b/graphein/protein_ligand/features/nodes/geometry.py @@ -0,0 +1,171 @@ +"""Provides geometry-based featurisation functions.""" +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +import logging + +import networkx as nx +import numpy as np +import pandas as pd + +from graphein.protein.utils import filter_dataframe + + +def add_sidechain_vector( + g: nx.Graph, scale: bool = True, reverse: bool = False +): + """Adds vector from node to average position of sidechain atoms. + + We compute the mean of the sidechain atoms for each node. For this we use the ``rgroup_df`` dataframe. + If the graph does not contain the ``rgroup_df`` dataframe, we compute it from the ``raw_pdb_df``. + If scale, we scale the vector to the unit vector. If reverse is True, + we reverse the vector (``sidechain - node``). If reverse is false (default) we compute (``node - sidechain``). + + :param g: Graph to add vector to. + :type g: nx.Graph + :param scale: Scale vector to unit vector. Defaults to ``True``. + :type scale: bool + :param reverse: Reverse vector. Defaults to ``False``. + :type reverse: bool + """ + # Get or compute R-Group DF + if "rgroup_df" not in g.graph.keys(): + g.graph["rgroup_df"] = compute_rgroup_dataframe(g.graph["raw_pdb_df"]) + + sc_centroid = g.graph["rgroup_df"].groupby("node_id").mean() + + # Iterate over nodes and compute vector + for n, d in g.nodes(data=True): + if d["residue_name"] == "GLY": + # If GLY, set vector to 0 + vec = np.array([0, 0, 0]) + else: + if reverse: + vec = d["coords"] - np.array( + sc_centroid.loc[n][["x_coord", "y_coord", "z_coord"]] + ) + else: + vec = ( + np.array( + sc_centroid.loc[n][["x_coord", "y_coord", "z_coord"]] + ) + - d["coords"] + ) + + if scale: + vec = vec / np.linalg.norm(vec) + + d["sidechain_vector"] = vec + + +def add_beta_carbon_vector( + g: nx.Graph, scale: bool = True, reverse: bool = False +): + """Adds vector from node (typically alpha carbon) to position of beta carbon. + + Glycine does not have a beta carbon, so we set it to ``np.array([0, 0, 0])``. + We extract the position of the beta carbon from the unprocessed atomic PDB dataframe. + For this we use the ``raw_pdb_df`` dataframe. + If scale, we scale the vector to the unit vector. If reverse is True, + we reverse the vector (``C beta - node``). If reverse is false (default) we compute (``node - C beta``). + + :param g: Graph to add vector to. + :type g: nx.Graph + :param scale: Scale vector to unit vector. Defaults to ``True``. + :type scale: bool + :param reverse: Reverse vector. Defaults to ``False``. + :type reverse: bool + """ + # Get or compute R-Group DF + if "rgroup_df" not in g.graph.keys(): + g.graph["rgroup_df"] = compute_rgroup_dataframe(g.graph["raw_pdb_df"]) + + c_beta_coords = filter_dataframe( + g.graph["rgroup_df"], "atom_name", ["CB"], boolean=True + ) + c_beta_coords.index = c_beta_coords["node_id"] + + # Iterate over nodes and compute vector + for n, d in g.nodes(data=True): + if d["residue_name"] == "GLY": + vec = np.array([0, 0, 0]) + else: + if reverse: + vec = d["coords"] - np.array( + c_beta_coords.loc[n][["x_coord", "y_coord", "z_coord"]] + ) + else: + vec = ( + np.array( + c_beta_coords.loc[n][["x_coord", "y_coord", "z_coord"]] + ) + - d["coords"] + ) + + if scale: + vec = vec / np.linalg.norm(vec) + d["c_beta_vector"] = vec + + +def add_sequence_neighbour_vector( + g: nx.Graph, scale: bool = True, reverse: bool = False, n_to_c: bool = True +): + """Computes vector from node to adjacent node in sequence. + Typically used with ``CA`` (alpha carbon) graphs. + + If ``n_to_c`` is ``True`` (default), we compute the vectors from the N terminus to the C terminus (canonical direction). + If ``reverse`` is ``False`` (default), we compute ``Node_i - Node_{i+1}``. + If ``reverse is ``True``, we compute ``Node_{i+1} - Node_i``. + :param g: Graph to add vector to. + :type g: nx.Graph + :param scale: Scale vector to unit vector. Defaults to ``True``. + :type scale: bool + :param reverse: Reverse vector. Defaults to ``False``. + :type reverse: bool + :param n_to_c: Compute vector from N to C or C to N. Defaults to ``True``. + :type n_to_c: bool + """ + suffix = "n_to_c" if n_to_c else "c_to_n" + # Iterate over every chain + for chain_id in g.graph["chain_ids"]: + # Find chain residues + chain_residues = [ + (n, v) for n, v in g.nodes(data=True) if v["chain_id"] == chain_id + ] + + if not n_to_c: + chain_residues.reverse() + + # Iterate over every residue in chain + for i, residue in enumerate(chain_residues): + # Checks not at chain terminus - is this versatile enough? + if i == len(chain_residues) - 1: + residue[1][f"sequence_neighbour_vector_{suffix}"] = np.array( + [0, 0, 0] + ) + continue + # Asserts residues are on the same chain + cond_1 = ( + residue[1]["chain_id"] == chain_residues[i + 1][1]["chain_id"] + ) + # Asserts residue numbers are adjacent + cond_2 = ( + abs( + residue[1]["residue_number"] + - chain_residues[i + 1][1]["residue_number"] + ) + == 1 + ) + + # If this checks out, we compute the vector + if (cond_1) and (cond_2): + vec = chain_residues[i + 1][1]["coords"] - residue[1]["coords"] + + if reverse: + vec = -vec + if scale: + vec = vec / np.linalg.norm(vec) + + residue[1][f"sequence_neighbour_vector_{suffix}"] = vec diff --git a/graphein/protein_ligand/features/nodes/meiler_embeddings.csv b/graphein/protein_ligand/features/nodes/meiler_embeddings.csv new file mode 100644 index 000000000..ef844e58d --- /dev/null +++ b/graphein/protein_ligand/features/nodes/meiler_embeddings.csv @@ -0,0 +1,8 @@ +,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL +dim_1,1.28,2.34,1.60,1.60, 1.77, 1.56, 1.56,0.00,2.99,4.19,2.59,1.89,2.35,2.94,2.67,1.31,3.03,3.21,2.94,3.67 +dim_2,0.05,0.29,0.13,0.11, 0.13, 0.18, 0.15,0.00,0.23,0.19,0.19,0.22,0.22,0.29,0.00,0.06,0.11,0.41,0.30,0.14 +dim_3,1.00,6.13,2.95,2.78, 2.43, 3.95,3.78,0.00,4.66,4.00,4.00,4.77,4.43,5.89,2.72,1.60,2.60,8.08,6.47,3.00 +dim_4,0.31,-1.01,-0.60,-0.77, 1.54,-0.22,-0.64,0.00,0.13,1.80,1.70,-0.99,1.23,1.79,0.72,-0.04,0.26,2.25,0.96,1.22 +dim_5,6.11,10.74,6.52,2.95, 6.35,5.65,3.09,6.07,7.69,6.04,6.04,9.99,5.71,5.67,6.80,5.70,5.60,5.94,5.66,6.02 +dim_6,0.42,0.36,0.21,0.25, 0.17,0.35,0.42,0.13,0.27,0.30,0.39,0.32,0.38,0.30,0.13,0.20,0.21,0.32,0.25,0.27 +dim_7,0.23,0.25,0.22,0.20, 0.41,0.25,0.21,0.15,0.30,0.45,0.31,0.27,0.32,0.38,0.34,0.28,0.36,0.42,0.41,0.49 diff --git a/graphein/protein_ligand/features/pretrained_models/__init__.py b/graphein/protein_ligand/features/pretrained_models/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model b/graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model new file mode 100644 index 000000000..04d2d74eb Binary files /dev/null and b/graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model differ diff --git a/graphein/protein_ligand/features/sequence/__init__.py b/graphein/protein_ligand/features/sequence/__init__.py new file mode 100644 index 000000000..fea06b0b8 --- /dev/null +++ b/graphein/protein_ligand/features/sequence/__init__.py @@ -0,0 +1,4 @@ +from ....protein.features.sequence.embeddings import * +from ....protein.features.sequence.propy import * +from ....protein.features.sequence.sequence import * +from ....protein.features.sequence.utils import * diff --git a/graphein/protein_ligand/features/utils.py b/graphein/protein_ligand/features/utils.py new file mode 100644 index 000000000..5020a7a86 --- /dev/null +++ b/graphein/protein_ligand/features/utils.py @@ -0,0 +1,63 @@ +"""Utility functions to work with graph-level features.""" +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +import networkx as nx +import numpy as np +import pandas as pd + + +def convert_graph_dict_feat_to_series( + G: nx.Graph, feature_name: str +) -> nx.Graph: + """ + Takes in a graph and a graph-level ``feature_name``. Converts this feature to a ``pd.Series``. + This is useful as some features are output as dictionaries and we wish to standardise this. + + :param G: nx.Graph containing ``G.graph[f"{feature_name}"]`` (``Dict[Any, Any]``). + :type G: nx.Graph + :param feature_name: Name of feature to convert to dictionary. + :type feature_name: str + :return: nx.Graph containing ``G.graph[f"{feature_name}"]: pd.Series``. + :rtype: nx.Graph + """ + G.graph[feature_name] = pd.Series(G.graph[feature_name]) + return G + + +def aggregate_graph_feature_over_chains( + G: nx.Graph, feature_name: str, aggregation_type: str +) -> nx.Graph: + """ + Performs aggregation of a feature over the chains. E.g. sums/averages/min/max molecular weights for each chain. + + :param G: nx.Graph of protein containing chain-specific features. + :type G: nx.Graph + :param feature_name: Name of features to aggregate. + :type feature_name: str + :param aggregation_type: Type of aggregation to perform (``"min"`, ``"max"``, ``"sum"``, ``"mean"``). + :type aggregation_type: str + :raises NameError: If ``aggregation_type`` is not one of ``"min"`, ``"max"``, ``"sum"``, ``"mean"``. + :return: nx.Graph of protein with a new aggregated feature ``G.graph[f"{feature_name}_{aggregation_type}"]``. + :rtype: nx.Graph + """ + if aggregation_type == "mean": + func = np.mean + elif aggregation_type == "max": + func = np.max + elif aggregation_type == "sum": + func = np.sum + elif aggregation_type == "min": + func = np.min + else: + raise NameError( + "Unsupported aggregation type. Please use mean, max, sum or min." + ) + + G.graph[f"{feature_name}_{aggregation_type}"] = func( + [G.graph[f"{feature_name}_{c}"] for c in G.graph["chain_ids"]] + ) + + return G diff --git a/graphein/protein_ligand/graphs.py b/graphein/protein_ligand/graphs.py new file mode 100644 index 000000000..cf5992b2a --- /dev/null +++ b/graphein/protein_ligand/graphs.py @@ -0,0 +1,588 @@ +"""Functions for working with Protein-ligand Structure Graphs.""" +# %% +# Graphein +# Author: Arian Jamasb , Eric Ma, Charlie Harris +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +import logging +import traceback +from functools import partial +from io import StringIO +from typing import Any, Callable, Dict, List, Optional, Tuple, Union + +import networkx as nx +import numpy as np +import pandas as pd +import requests +from biopandas.pdb import PandasPdb + +from graphein.protein.graphs import process_dataframe, remove_insertions +from graphein.protein.utils import ( + compute_rgroup_dataframe, + get_protein_name_from_filename, + three_to_one_with_mods, +) +from graphein.protein_ligand.config import ProteinLigandGraphConfig +from graphein.utils.utils import ( + annotate_edge_metadata, + annotate_graph_metadata, + annotate_node_metadata, + import_message, +) + +log = logging.getLogger(__name__) + +try: + import rdkit.Chem as Chem + import rdkit.Chem.AllChem as AllChem +except ImportError: + message = import_message( + "graphein.protein_ligand.graphs", "rdkit", "rdkit", True + ) + log.warning(message) + +try: + from prody import parsePDB, writePDBStream +except ImportError: + message = import_message( + "graphein.protein_ligand.graphs", "prody", "prody", True + ) + log.warning(message) + + +def read_pdb_to_dataframe( + pdb_path: Optional[str] = None, + pdb_code: Optional[str] = None, + verbose: bool = False, + granularity: str = "CA", +) -> pd.DataFrame: + """ + Reads PDB file to ``PandasPDB`` object. + + Returns ``atomic_df``, which is a dataframe enumerating all atoms and their cartesian coordinates in 3D space. Also + contains associated metadata from the PDB file. + + :param pdb_path: path to PDB file. Defaults to None. + :type pdb_path: str, optional + :param pdb_code: 4-character PDB accession. Defaults to None. + :type pdb_code: str, optional + :param verbose: print dataframe? + :type verbose: bool + :param granularity: Specifies granularity of dataframe. See :class:`~graphein.protein.config.ProteinLigandGraphConfig` for further + details. + :type granularity: str + :returns: ``pd.DataFrame`` containing protein structure + :rtype: pd.DataFrame + """ + if pdb_code is None and pdb_path is None: + raise NameError("One of pdb_code or pdb_path must be specified!") + + atomic_df = ( + PandasPdb().read_pdb(pdb_path) + if pdb_path is not None + else PandasPdb().fetch_pdb(pdb_code) + ) + + # Assign Node IDs to dataframes + atomic_df.df["ATOM"]["node_id"] = ( + atomic_df.df["ATOM"]["chain_id"].apply(str) + + ":" + + atomic_df.df["ATOM"]["residue_name"] + + ":" + + atomic_df.df["ATOM"]["residue_number"].apply(str) + ) + atomic_df.df["HETATM"]["node_id"] = ( + atomic_df.df["HETATM"]["residue_name"] + + ":" + + atomic_df.df["HETATM"]["element_symbol"] + + ":" + + atomic_df.df["HETATM"]["residue_number"].apply(str) + + ":" + + atomic_df.df["ATOM"]["atom_number"].apply(str) + ) + if granularity == "atom": + atomic_df.df["ATOM"]["node_id"] = ( + atomic_df.df["ATOM"]["node_id"] + + ":" + + atomic_df.df["ATOM"]["atom_name"] + ) + if verbose: + print(atomic_df) + return atomic_df + + +def initialise_graph_with_metadata( + protein_df: pd.DataFrame, + ligands_df: List[pd.DataFrame], + raw_pdb_df: Dict[pd.DataFrame], + pdb_id: str, + granularity: str, +) -> nx.Graph: + """ + Initializes the ``nx.Graph`` object with initial metadata. + + :param protein_df: Processed Dataframe of protein structure. + :type protein_df: pd.DataFrame + :param ligands_df: Processed Dataframe of ligands structures. + :type ligands_df: List[pd.DataFrame] + :param raw_pdb_df: Unprocessed dataframe of protein structure for comparison and traceability downstream. + :type raw_pdb_df: pd.DataFrame + :param pdb_id: PDB Accession code. + :type pdb_id: str + :param granularity: Granularity of the graph (eg ``"atom"``, ``"CA"``, ``"CB"`` etc or ``"centroid"``). + See: :const:`~graphein.protein.config.GRAPH_ATOMS` and :const:`~graphein.protein.config.GRANULARITY_OPTS`. + :type granularity: str + :return: Returns initial protein structure graph with metadata. + :rtype: nx.Graph + """ + G = nx.Graph( + name=pdb_id, + pdb_id=pdb_id, + chain_ids=list(protein_df["chain_id"].unique()), + protein_df=protein_df, + ligands_df=ligands_df, + raw_pdb_df=raw_pdb_df, + rgroup_df=compute_rgroup_dataframe( + remove_insertions(raw_pdb_df.df["ATOM"]) + ), + protein_coords=np.asarray( + protein_df[["x_coord", "y_coord", "z_coord"]] + ), + ligands_coords=np.asarray( + [ + ligand_df[["x_coord", "y_coord", "z_coord"]] + for ligand_df in ligands_df + ] + ), + ) + + # Create graph and assign intrinsic graph-level metadata + G.graph["node_type"] = granularity + + # Add Sequences to graph metadata + for c in G.graph["chain_ids"]: + G.graph[f"sequence_{c}"] = ( + protein_df.loc[protein_df["chain_id"] == c]["residue_name"] + .apply(three_to_one_with_mods) + .str.cat() + ) + return G + + +def add_nodes_to_graph( + G: nx.Graph, + protein_df: Optional[pd.DataFrame] = None, + ligands_df: Optional[List[pd.DataFrame]] = None, + verbose: bool = False, +) -> nx.Graph: + """Add nodes into protein graph. + + :param G: ``nx.Graph`` with metadata to populate with nodes. + :type G: nx.Graph + :protein_df: DataFrame of protein structure containing nodes & initial node metadata to add to the graph. + :type protein_df: pd.DataFrame, optional + :ligands_df: DataFrame of ligands structures containing nodes & initial node metadata to add to the graph. + :type ligands_df: List[pd.DataFrame], optional + :param verbose: Controls verbosity of this step. + :type verbose: bool + :returns: nx.Graph with nodes added. + :rtype: nx.Graph + """ + + # If no protein dataframe is supplied, use the one stored in the Graph object + if protein_df is None: + protein_df = G.graph["protein_df"] + ligands_df = G.graph["ligands_df"] + # Assign intrinsic node attributes + chain_id = protein_df["chain_id"].apply(str) + residue_name = protein_df["residue_name"] + residue_number = protein_df["residue_number"] # .apply(str) + coords = np.asarray(protein_df[["x_coord", "y_coord", "z_coord"]]) + b_factor = protein_df["b_factor"] + atom_type = protein_df["atom_name"] + nodes = protein_df["node_id"] + element_symbol = protein_df["element_symbol"] + G.add_nodes_from(nodes) + + # Set intrinsic node attributes + nx.set_node_attributes(G, dict(zip(nodes, chain_id)), "chain_id") + nx.set_node_attributes(G, dict(zip(nodes, residue_name)), "residue_name") + nx.set_node_attributes( + G, dict(zip(nodes, residue_number)), "residue_number" + ) + nx.set_node_attributes(G, dict(zip(nodes, atom_type)), "atom_type") + nx.set_node_attributes( + G, dict(zip(nodes, element_symbol)), "element_symbol" + ) + nx.set_node_attributes(G, dict(zip(nodes, coords)), "coords") + nx.set_node_attributes(G, dict(zip(nodes, b_factor)), "b_factor") + nx.set_node_attributes( + G, dict(zip(nodes, ["protein" for _ in range(len(nodes))])), "source" + ) + + rdmols = [] + for i, ligand in enumerate(ligands_df): + G.add_nodes_from(ligand["node_id"]) + nx.set_node_attributes( + G, dict(zip(ligand["node_id"], ["ligand"])), "source" + ) + nx.set_node_attributes( + G, + dict( + zip( + ligand["node_id"], + np.asarray(ligand[["x_coord", "y_coord", "z_coord"]]), + ) + ), + "coords", + ) + nx.set_node_attributes( + G, + dict(zip(ligand["node_id"], ligand["element_symbol"])), + "element_symbol", + ) + # Convert mol to rdmol and save it + ppdb = PandasPdb() + ppdb.df["HETATM"] = ligands_df[i] + ppdb.to_pdb(path="./tmp_saved_mol.pdb") + rdmol = Chem.MolFromPDBFile("./tmp_saved_mol.pdb") + rdmols.append(rdmol) + G.graph["ligands_rdmol"] = rdmols + + # TODO: include charge, line_idx for traceability? + if verbose: + print(nx.info(G)) + print(G.nodes()) + + return G + + +def compute_edges( + G: nx.Graph, + protein_funcs: List[Callable], + ligand_funcs: List[Callable], + protein_ligand_funcs: List[Callable], + get_contacts_config: Optional[GetContactsConfig] = None, +) -> nx.Graph: + """ + Computes edges for the protein-ligand structure graph. Will compute a pairwise + distance matrix between nodes which is + added to the graph metadata to facilitate some edge computations. + + :param G: nx.Graph with nodes to add edges to. + :type G: nx.Graph + :param protein_funcs: List of protein edge construction functions. + :type funcs: List[Callable] + :param ligand_funcs: List of ligands edge construction functions. + :type funcs: List[Callable] + :param protein_ligand_funcs: List of protein-ligand edge construction functions. + :type funcs: List[Callable] + :param get_contacts_config: Config object for ``GetContacts`` if + intramolecular edges are being used. + :type get_contacts_config: graphein.protein_ligand.config.GetContactsConfig + :return: Graph with added edges. + :rtype: nx.Graph + """ + + for func in protein_funcs: + func(G) + + for func in ligand_funcs: + func(G) + + for func in protein_ligand_funcs: + func(G) + + return G + + +def construct_graph( + config: Optional[ProteinLigandGraphConfig] = None, + pdb_path: Optional[str] = None, + pdb_code: Optional[str] = None, + chain_selection: str = "all", + df_processing_funcs: Optional[List[Callable]] = None, + protein_edge_construction_funcs: Optional[List[Callable]] = None, + protein_edge_annotation_funcs: Optional[List[Callable]] = None, + protein_node_annotation_funcs: Optional[List[Callable]] = None, + ligand_edge_construction_funcs: Optional[List[Callable]] = None, + ligand_edge_annotation_funcs: Optional[List[Callable]] = None, + ligand_node_annotation_funcs: Optional[List[Callable]] = None, + protein_ligand_edge_construction_funcs: Optional[List[Callable]] = None, + protein_ligand_edge_annotation_funcs: Optional[List[Callable]] = None, + graph_annotation_funcs: Optional[List[Callable]] = None, +) -> nx.Graph: + """ + Constructs protein-ligand complex graph from a ``pdb_code`` or ``pdb_path``. + + Users can provide a :class:`~graphein.protein.config.ProteinLigandGraphConfig` + object to specify construction parameters. + + However, config parameters can be overridden by passing arguments directly to the function. + + :param config: :class:`~graphein.protein.config.ProteinLigandGraphConfig` object. If None, defaults to config in ``graphein.protein.config``. + :type config: graphein.protein.config.ProteinLigandGraphConfig, optional + :param pdb_path: Path to ``pdb_file`` to build graph from. Default is ``None``. + :type pdb_path: str, optional + :param pdb_code: 4-character PDB accession pdb_code to build graph from. Default is ``None``. + :type pdb_code: str, optional + :param chain_selection: String of polypeptide chains to include in graph. E.g ``"ABDF"`` or ``"all"``. Default is ``"all"``. + :type chain_selection: str + :param df_processing_funcs: List of dataframe processing functions. Default is ``None``. + :type df_processing_funcs: List[Callable], optional + :param protein_edge_construction_funcs: List of protein edge construction functions. Default is ``None``. + :type edge_construction_funcs: List[Callable], optional + :param protein_edge_annotation_funcs: List of protein edge annotation functions. Default is ``None``. + :type edge_annotation_funcs: List[Callable], optional + :param protein_node_annotation_funcs: List of protein node annotation functions. Default is ``None``. + :type node_annotation_funcs: List[Callable], optional + :param ligand_edge_construction_funcs: List of ligand edge construction functions. Default is ``None``. + :type edge_construction_funcs: List[Callable], optional + :param ligand_edge_annotation_funcs: List of ligand edge annotation functions. Default is ``None``. + :type edge_annotation_funcs: List[Callable], optional + :param ligand_node_annotation_funcs: List of ligand node annotation functions. Default is ``None``. + :type node_annotation_funcs: List[Callable], optional + :param protein_ligand_edge_construction_funcs: List of protein-ligand edge construction functions. Default is ``None``. + :type edge_construction_funcs: List[Callable], optional + :param protein_ligand_edge_annotation_funcs: List of protein-ligand edge annotation functions. Default is ``None``. + :type edge_annotation_funcs: List[Callable], optional + :param graph_annotation_funcs: List of graph annotation function. Default is ``None``. + :type graph_annotation_funcs: List[Callable] + :return: Protein Structure Graph + :type: nx.Graph + """ + + # If no config is provided, use default + if config is None: + config = ProteinLigandGraphConfig() + + # Get name from pdb_file is no pdb_code is provided + if pdb_path and (pdb_code is None): + pdb_code = get_protein_name_from_filename(pdb_path) + + # If config params are provided, overwrite them + config.protein_df_processing_functions = ( + df_processing_funcs + if config.protein_df_processing_functions is None + else config.protein_df_processing_functions + ) + config.protein_edge_construction_functions = ( + protein_edge_construction_funcs + if config.protein_edge_construction_functions is None + else config.protein_edge_construction_functions + ) + config.protein_node_metadata_functions = ( + protein_node_annotation_funcs + if config.protein_node_metadata_functions is None + else config.protein_node_metadata_functions + ) + config.graph_metadata_functions = ( + graph_annotation_funcs + if config.graph_metadata_functions is None + else config.graph_metadata_functions + ) + config.protein_edge_metadata_functions = ( + protein_edge_annotation_funcs + if config.protein_edge_metadata_functions is None + else config.protein_edge_metadata_functions + ) + config.ligand_edge_construction_functions = ( + ligand_edge_construction_funcs + if config.ligand_edge_construction_functions is None + else config.ligand_edge_construction_functions + ) + config.ligand_node_metadata_functions = ( + ligand_node_annotation_funcs + if config.ligand_node_metadata_functions is None + else config.ligand_node_metadata_functions + ) + config.ligand_edge_metadata_functions = ( + ligand_edge_annotation_funcs + if config.ligand_edge_metadata_functions is None + else config.ligand_edge_metadata_functions + ) + config.protein_ligand_edge_construction_functions = ( + protein_ligand_edge_construction_funcs + if config.protein_ligand_edge_construction_functions is None + else config.protein_ligand_edge_construction_functions + ) + config.protein_ligand_edge_metadata_functions = ( + protein_ligand_edge_annotation_funcs + if config.protein_ligand_edge_metadata_functions is None + else config.protein_ligand_edge_metadata_functions + ) + + # Read raw df from pdb + raw_df = read_pdb_to_dataframe( + pdb_path, + pdb_code, + verbose=config.verbose, + granularity=config.granularity, + ) + + # Read ligand from pdb + df_dict = read_ligand_expo() + pdb = parsePDB(pdb_code) + if config.exclude_waters: + ligand = pdb.select("not protein and not water") + else: + ligand = pdb.select("not protein") + res_name_list = set( + list(zip(list(ligand.getResnames()), list(ligand.getChids()))) + ) + ligands = [] + ligands_df = [] + # TODO: filter out ions, co-factors, etc. + for res, chain in res_name_list: + try: + new_mol = process_ligand(ligand, res, df_dict) + ligands.append(new_mol) + ligands_df.append( + raw_df.df["HETATM"].loc[ + (raw_df.df["HETATM"]["residue_name"] == res) + & (raw_df.df["HETATM"]["chain_id"] == chain) + ] + ) + except Exception as e: + log.warning(e) + continue + + protein_df = process_dataframe( + raw_df, chain_selection=chain_selection, granularity=config.granularity + ) + + # Initialise graph with metadata + g = initialise_graph_with_metadata( + protein_df=protein_df, + ligands_df=ligands_df, + raw_pdb_df=raw_df, + pdb_id=pdb_code, + granularity=config.granularity, + ) + + # Add nodes to graph + g = add_nodes_to_graph(g) + + # Add config to graph + g.graph["config"] = config + + # Annotate additional node metadata + if config.protein_node_metadata_functions is not None: + g = annotate_node_metadata(g, config.protein_node_metadata_functions) + if config.ligand_node_metadata_functions is not None: + g = annotate_node_metadata(g, config.ligand_node_metadata_functions) + + # Compute graph edges + g = compute_edges( + g, + protein_funcs=config.protein_edge_construction_functions, + ligand_funcs=config.ligand_edge_construction_functions, + protein_ligand_funcs=config.protein_ligand_edge_construction_functions, + get_contacts_config=None, + ) + + # Annotate additional graph metadata + if config.graph_metadata_functions is not None: + g = annotate_graph_metadata(g, config.graph_metadata_functions) + + # Annotate additional edge metadata + if config.protein_edge_metadata_functions is not None: + g = annotate_edge_metadata(g, config.protein_edge_metadata_functions) + if config.ligand_edge_metadata_functions is not None: + g = annotate_edge_metadata(g, config.ligand_edge_metadata_functions) + if config.protein_ligand_edge_metadata_functions is not None: + g = annotate_edge_metadata( + g, config.protein_ligand_edge_metadata_functions + ) + + return g + + +def _mp_graph_constructor( + args: Tuple[str, str], use_pdb_code: bool, config: ProteinLigandGraphConfig +) -> nx.Graph: + """ + Protein-ligand graph constructor for use in multiprocessing several protein structure graphs. + + :param args: Tuple of pdb code/path and the chain selection for that PDB + :type args: Tuple[str, str] + :param use_pdb_code: Whether or not we are using pdb codes or paths + :type use_pdb_code: bool + :param config: Protein structure graph construction config + :type config: ProteinLigandGraphConfig + :return: Protein structure graph + :rtype: nx.Graph + """ + log.info(f"Constructing graph for: {args[0]}. Chain selection: {args[1]}") + func = partial(construct_graph, config=config) + try: + return ( + func(pdb_code=args[0], chain_selection=args[1]) + if use_pdb_code + else func(pdb_path=args[0], chain_selection=args[1]) + ) + + except Exception as ex: + log.info( + f"Graph construction error (PDB={args[0]})! {traceback.format_exc()}" + ) + log.info(ex) + return None + + +def process_ligand(ligand, res_name: str, expo_dict: Dict): + """ + Process ligand in the following steps: + 1. Select the ligand component with name "res_name" + 2. Get the corresponding SMILES from the Ligand Expo dictionary + 3. Create a template molecule from the SMILES in step 2 + 4. Write the PDB file to a stream + 5. Read the stream into an RDKit molecule + 6. Assign the bond orders from the template from step 3 + + :param ligand: ligand as generated by prody + :type ligand: prody + :param res_name: residue name of ligand to extract + :type res_name: str + :param expo_dict: dictionary with LigandExpo + :type expo_dict: Dict + :return: molecule with bond orders assigned + :rtype: rdkit.Mol + """ + output = StringIO() + sub_mol = ligand.select(f"resname {res_name}") + sub_smiles = expo_dict["SMILES"][res_name] + template = AllChem.MolFromSmiles(sub_smiles) + writePDBStream(output, sub_mol) + pdb_string = output.getvalue() + rd_mol = AllChem.MolFromPDBBlock(pdb_string) + return AllChem.AssignBondOrdersFromTemplate(template, rd_mol) + + +def read_ligand_expo() -> Dict[str, Dict[str, str]]: + """ + Read Ligand Expo data, try to find a file called + Components-smiles-stereo-oe.smi in the current directory. + If you can't find the file, grab it from the RCSB + + :return: Ligand Expo as a dictionary with ligand id as the key + :rtype: Dict[str, Dict[str, str]] + """ + file_name = "Components-smiles-stereo-oe.smi" + try: + df = pd.read_csv( + file_name, sep="\t", header=None, names=["SMILES", "ID", "Name"] + ) + except FileNotFoundError: + url = f"http://ligand-expo.rcsb.org/dictionaries/{file_name}" + print(url) + r = requests.get(url, allow_redirects=True) + open("Components-smiles-stereo-oe.smi", "wb").write(r.content) + df = pd.read_csv( + file_name, sep="\t", header=None, names=["SMILES", "ID", "Name"] + ) + df.set_index("ID", inplace=True) + return df.to_dict() diff --git a/graphein/protein_ligand/utils.py b/graphein/protein_ligand/utils.py new file mode 100644 index 000000000..36911341b --- /dev/null +++ b/graphein/protein_ligand/utils.py @@ -0,0 +1,33 @@ +"""Provides utility functions for use across Graphein.""" +import logging + +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +import os +from functools import lru_cache +from pathlib import Path +from shutil import which +from typing import Any, Dict, List, Tuple, Union +from urllib.request import urlopen + +import networkx as nx +import numpy as np +import pandas as pd +import wget +from Bio.PDB import PDBList +from biopandas.pdb import PandasPdb + +log = logging.getLogger(__name__) + + +class ProteinLigandGraphConfigurationError(Exception): + """Exception when an invalid Graph configuration if provided to a downstream function or method.""" + + def __init__(self, message: str): + self.message = message + + def __str__(self): + return self.message diff --git a/graphein/protein_ligand/visualisation.py b/graphein/protein_ligand/visualisation.py new file mode 100644 index 000000000..f9f2bc8e3 --- /dev/null +++ b/graphein/protein_ligand/visualisation.py @@ -0,0 +1,978 @@ +"""Functions for plotting protein graphs and meshes.""" +# Graphein +# Author: Arian Jamasb +# License: MIT +# Project Website: https://github.com/a-r-j/graphein +# Code Repository: https://github.com/a-r-j/graphein +from __future__ import annotations + +import logging +from itertools import count +from typing import Dict, List, Optional, Tuple, Union + +import matplotlib +import matplotlib.pyplot as plt +import networkx as nx +import numpy as np +import plotly.express as px +import plotly.graph_objects as go +import seaborn as sns +from mpl_toolkits.mplot3d import Axes3D + +from graphein.protein.subgraphs import extract_k_hop_subgraph +from graphein.utils.utils import import_message + +log = logging.getLogger(__name__) + + +try: + from pytorch3d.ops import sample_points_from_meshes +except ImportError: + message = import_message( + submodule="graphein.protein.visualisation", + package="pytorch3d", + conda_channel="pytorch3d", + ) + log.warning(message) + +try: + from mpl_chord_diagram import chord_diagram +except ImportError: + import_message( + submodule="graphein.protein.visualisation", + package="mpl_chord_diagram", + pip_install=True, + ) + + +def plot_pointcloud(mesh: Meshes, title: str = "") -> Axes3D: + """ + Plots pytorch3d Meshes object as pointcloud. + + :param mesh: Meshes object to plot. + :type mesh: pytorch3d.structures.meshes.Meshes + :param title: Title of plot. + :type title: str + :return: returns Axes3D containing plot + :rtype: Axes3D + """ + # Sample points uniformly from the surface of the mesh. + points = sample_points_from_meshes(mesh, 5000) + x, y, z = points.clone().detach().cpu().squeeze().unbind(1) + fig = plt.figure(figsize=(5, 5)) + ax = Axes3D(fig) + ax.scatter3D(x, z, -y) + ax.set_xlabel("x") + ax.set_ylabel("z") + ax.set_zlabel("y") + ax.set_title(title) + ax.view_init(190, 30) + return ax + + +def colour_nodes( + G: nx.Graph, + colour_by: str, + colour_map: matplotlib.colors.ListedColormap = plt.cm.plasma, +) -> List[Tuple[float, float, float, float]]: + """ + Computes node colours based on ``"degree"``, ``"seq_position"`` or node attributes. + + :param G: Graph to compute node colours for + :type G: nx.Graph + :param colour_map: Colourmap to use. + :type colour_map: matplotlib.colors.ListedColormap + :param colour_by: Manner in which to colour nodes. If not ``"degree"`` or ``"seq_position"``, this must correspond to a node feature. + :type colour_by: str + :return: List of node colours + :rtype: List[Tuple[float, float, float, float]] + """ + # get number of nodes + n = G.number_of_nodes() + + # Define color range proportional to number of edges adjacent to a single node + if colour_by == "degree": + # Get max number of edges connected to a single node + edge_max = max([G.degree[i] for i in G.nodes()]) + colors = [colour_map(G.degree[i] / edge_max) for i in G.nodes()] + elif colour_by == "seq_position": + colors = [colour_map(i / n) for i in range(n)] + elif colour_by == "chain": + chains = G.graph["chain_ids"] + chain_colours = dict( + zip(chains, list(colour_map(1 / len(chains), 1, len(chains)))) + ) + colors = [chain_colours[d["chain_id"]] for n, d in G.nodes(data=True)] + else: + node_types = set(nx.get_node_attributes(G, colour_by).values()) + mapping = dict(zip(sorted(node_types), count())) + colors = [ + colour_map(mapping[d[colour_by]] / len(node_types)) + for n, d in G.nodes(data=True) + ] + + return colors + + +def colour_edges( + G: nx.Graph, + colour_map: matplotlib.colors.ListedColormap, + colour_by: str = "kind", +) -> List[Tuple[float, float, float, float]]: + """ + Computes edge colours based on the kind of bond/interaction. + + :param G: nx.Graph protein structure graph to compute edge colours from. + :type G: nx.Graph + :param colour_map: Colourmap to use. + :type colour_map: matplotlib.colors.ListedColormap + :param colour_by: Edge attribute to colour by. Currently only ``"kind"`` is supported. + :type colour_by: str + :return: List of edge colours. + :rtype: List[Tuple[float, float, float, float]] + """ + if colour_by == "kind": + edge_types = set( + frozenset(a) for a in nx.get_edge_attributes(G, "kind").values() + ) + mapping = dict(zip(sorted(edge_types), count())) + colors = [ + colour_map( + mapping[frozenset(G.edges[i]["kind"])] + / (len(edge_types) + 1) # avoid division by zero error + ) + for i in G.edges() + ] + else: + raise NotImplementedError( + "Other edge colouring methods not implemented." + ) + return colors + + +def plotly_protein_structure_graph( + G: nx.Graph, + plot_title: Optional[str] = None, + figsize: Tuple[int, int] = (620, 650), + node_alpha: float = 0.7, + node_size_min: float = 20.0, + node_size_multiplier: float = 20.0, + label_node_ids: bool = True, + node_colour_map=plt.cm.plasma, + edge_color_map=plt.cm.plasma, + colour_nodes_by: str = "degree", + colour_edges_by: str = "kind", +) -> go.Figure: + """ + Plots protein structure graph using plotly. + + :param G: nx.Graph Protein Structure graph to plot + :type G: nx.Graph + :param plot_title: Title of plot, defaults to ``None``. + :type plot_title: str, optional + :param figsize: Size of figure, defaults to ``(620, 650)``. + :type figsize: Tuple[int, int] + :param node_alpha: Controls node transparency, defaults to ``0.7``. + :type node_alpha: float + :param node_size_min: Specifies node minimum size. Defaults to ``20.0``. + :type node_size_min: float + :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``20.0``. + :type node_size_multiplier: float + :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``. + :type label_node_ids: bool + :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``. + :type node_colour_map: plt.cm + :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``. + :type edge_color_map: plt.cm + :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, ``"seq_position"`` or a node feature. + :type colour_edges_by: str + :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported. + :type colour_nodes_by: str + :returns: Plotly Graph Objects plot + :rtype: go.Figure + """ + + # Get Node Attributes + pos = nx.get_node_attributes(G, "coords") + + # Get node colours + node_colors = colour_nodes( + G, colour_map=node_colour_map, colour_by=colour_nodes_by + ) + edge_colors = colour_edges( + G, colour_map=edge_color_map, colour_by=colour_edges_by + ) + + # 3D network plot + x_nodes = [] + y_nodes = [] + z_nodes = [] + node_sizes = [] + node_labels = [] + + # Loop on the pos dictionary to extract the x,y,z coordinates of each node + for i, (key, value) in enumerate(pos.items()): + x_nodes.append(value[0]) + y_nodes.append(value[1]) + z_nodes.append(value[2]) + node_sizes.append(node_size_min + node_size_multiplier * G.degree[key]) + + if label_node_ids: + node_labels.append(list(G.nodes())[i]) + + nodes = go.Scatter3d( + x=x_nodes, + y=y_nodes, + z=z_nodes, + mode="markers", + marker={ + "symbol": "circle", + "color": node_colors, + "size": node_sizes, + "opacity": node_alpha, + }, + text=list(G.nodes()), + hoverinfo="text+x+y+z", + ) + + # Loop on the list of edges to get the x,y,z, coordinates of the connected nodes + # Those two points are the extrema of the line to be plotted + x_edges = [] + y_edges = [] + z_edges = [] + + for node_a, node_b in G.edges(data=False): + x_edges.extend([pos[node_a][0], pos[node_b][0], None]) + y_edges.extend([pos[node_a][1], pos[node_b][1], None]) + z_edges.extend([pos[node_a][2], pos[node_b][2], None]) + + axis = dict( + showbackground=False, + showline=False, + zeroline=False, + showgrid=False, + showticklabels=False, + title="", + ) + + repeated_edge_colours = [] + for ( + edge_col + ) in ( + edge_colors + ): # Repeat as each line segment is ({x,y,z}_start, {x,y,z}_end, None) + repeated_edge_colours.extend((edge_col, edge_col, edge_col)) + + edge_colors = repeated_edge_colours + + edge_text = [ + " / ".join(list(edge_type)) + for edge_type in nx.get_edge_attributes(G, "kind").values() + ] + edge_text = np.repeat( + edge_text, 3 + ) # Repeat as each line segment is ({x,y,z}_start, {x,y,z}_end, None) + + edges = go.Scatter3d( + x=x_edges, + y=y_edges, + z=z_edges, + mode="lines", + line={"color": edge_colors, "width": 10}, + text=edge_text, + hoverinfo="text", + ) + + return go.Figure( + data=[nodes, edges], + layout=go.Layout( + title=plot_title, + width=figsize[0], + height=figsize[1], + showlegend=False, + scene=dict( + xaxis=dict(axis), + yaxis=dict(axis), + zaxis=dict(axis), + ), + margin=dict(t=100), + ), + ) + + +def plot_protein_structure_graph( + G: nx.Graph, + angle: int = 30, + plot_title: Optional[str] = None, + figsize: Tuple[int, int] = (10, 7), + node_alpha: float = 0.7, + node_size_min: float = 20.0, + node_size_multiplier: float = 20.0, + label_node_ids: bool = True, + node_colour_map=plt.cm.plasma, + edge_color_map=plt.cm.plasma, + colour_nodes_by: str = "degree", + colour_edges_by: str = "kind", + edge_alpha: float = 0.5, + plot_style: str = "ggplot", + out_path: Optional[str] = None, + out_format: str = ".png", +) -> Axes3D: + """ + Plots protein structure graph in ``Axes3D``. + + :param G: nx.Graph Protein Structure graph to plot. + :type G: nx.Graph + :param angle: View angle. Defaults to ``30``. + :type angle: int + :param plot_title: Title of plot. Defaults to ``None``. + :type plot_title: str, optional + :param figsize: Size of figure, defaults to ``(10, 7)``. + :type figsize: Tuple[int, int] + :param node_alpha: Controls node transparency, defaults to ``0.7``. + :type node_alpha: float + :param node_size_min: Specifies node minimum size, defaults to ``20``. + :type node_size_min: float + :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``20``. + :type node_size_multiplier: float + :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``. + :type label_node_ids: bool + :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``. + :type node_colour_map: plt.cm + :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``. + :type edge_color_map: plt.cm + :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, ``"seq_position"`` or a node feature. + :type colour_nodes_by: str + :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported. + :type colour_edges_by: str + :param edge_alpha: Controls edge transparency. Defaults to ``0.5``. + :type edge_alpha: float + :param plot_style: matplotlib style sheet to use. Defaults to ``"ggplot"``. + :type plot_style: str + :param out_path: If not none, writes plot to this location. Defaults to ``None`` (does not save). + :type out_path: str, optional + :param out_format: Fileformat to use for plot + :type out_format: str + :return: matplotlib Axes3D object. + :rtype: Axes3D + """ + + # Get Node Attributes + pos = nx.get_node_attributes(G, "coords") + + # Get node colours + node_colors = colour_nodes( + G, colour_map=node_colour_map, colour_by=colour_nodes_by + ) + edge_colors = colour_edges( + G, colour_map=edge_color_map, colour_by=colour_edges_by + ) + + # 3D network plot + with plt.style.context(plot_style): + fig = plt.figure(figsize=figsize) + ax = Axes3D(fig, auto_add_to_figure=True) + + # Loop on the pos dictionary to extract the x,y,z coordinates of each node + for i, (key, value) in enumerate(pos.items()): + xi = value[0] + yi = value[1] + zi = value[2] + + # Scatter plot + ax.scatter( + xi, + yi, + zi, + color=node_colors[i], + s=node_size_min + node_size_multiplier * G.degree[key], + edgecolors="k", + alpha=node_alpha, + ) + if label_node_ids: + label = list(G.nodes())[i] + ax.text(xi, yi, zi, label) + + # Loop on the list of edges to get the x,y,z, coordinates of the connected nodes + # Those two points are the extrema of the line to be plotted + for i, j in enumerate(G.edges()): + x = np.array((pos[j[0]][0], pos[j[1]][0])) + y = np.array((pos[j[0]][1], pos[j[1]][1])) + z = np.array((pos[j[0]][2], pos[j[1]][2])) + + # Plot the connecting lines + ax.plot(x, y, z, c=edge_colors[i], alpha=edge_alpha) + + # Set title + ax.set_title(plot_title) + # Set the initial view + ax.view_init(30, angle) + # Hide the axes + ax.set_axis_off() + if out_path is not None: + plt.savefig(out_path + str(angle).zfill(3) + out_format) + plt.close("all") + + return ax + + +def add_vector_to_plot( + g: nx.Graph, + fig, + vector: str = "sidechain_vector", + scale: float = 5, + colour: str = "red", + width: int = 10, +) -> go.Figure: + """Adds representations of vector features to the protein graph. + + Requires all nodes have a vector feature (1 x 3 array). + + :param g: Protein graph containing vector features + :type g: nx.Graph + :param fig: 3D plotly figure to add vectors to. + :type fig: go.Figure + :param vector: Name of node vector feature to add, defaults to "sidechain_vector" + :type vector: str, optional + :param scale: How much to scale the vectors by, defaults to 5 + :type scale: float, optional + :param colour: Colours for vectors, defaults to "red" + :type colour: str, optional + :return: 3D Plotly plot with vectors added. + :rtype: go.Figure + """ + # Compute line segment positions + x_edges = [] + y_edges = [] + z_edges = [] + edge_text = [] + for _, d in g.nodes(data=True): + x_edges.extend( + [d["coords"][0], d["coords"][0] + d[vector][0] * scale, None] + ) + y_edges.extend( + [d["coords"][1], d["coords"][1] + d[vector][1] * scale, None] + ) + z_edges.extend( + [d["coords"][2], d["coords"][2] + d[vector][2] * scale, None] + ) + edge_text.extend([None, f"{vector}", None]) + + edge_trace = go.Scatter3d( + x=x_edges, + y=y_edges, + z=z_edges, + mode="lines", + line={"color": colour, "width": width}, + text=3 * [f"{vector}" for _ in range(len(g))], + hoverinfo="text", + ) + # Compute cone positions. + arrow_tip_ratio = 0.1 + arrow_starting_ratio = 0.98 + x = [] + y = [] + z = [] + u = [] + v = [] + w = [] + for _, d in g.nodes(data=True): + x.extend( + [d["coords"][0] + d[vector][0] * scale * arrow_starting_ratio] + ) + y.extend( + [d["coords"][1] + d[vector][1] * scale * arrow_starting_ratio] + ) + z.extend( + [d["coords"][2] + d[vector][2] * scale * arrow_starting_ratio] + ) + u.extend([d[vector][0]]) # * arrow_tip_ratio]) + v.extend([d[vector][1]]) # * arrow_tip_ratio]) + w.extend([d[vector][2]]) # * arrow_tip_ratio]) + + if colour == "red": + colour = [[0, "rgb(255,0,0)"], [1, "rgb(255,0,0)"]] + elif colour == "blue": + colour = [[0, "rgb(0,0,255)"], [1, "rgb(0,0,255)"]] + elif colour == "green": + colour = [[0, "rgb(0,255,0)"], [1, "rgb(0,255,0)"]] + + cone_trace = go.Cone( + x=x, + y=y, + z=z, + u=u, + v=v, + w=w, + text=[f"{vector}" for _ in range(len(g.nodes()))], + hoverinfo="u+v+w+text", + colorscale=colour, + showlegend=False, + showscale=False, + sizemode="absolute", + ) + fig.add_trace(edge_trace) + fig.add_trace(cone_trace) + return fig + + +def plot_distance_matrix( + g: Optional[nx.Graph], + dist_mat: Optional[np.ndarray] = None, + use_plotly: bool = True, + title: Optional[str] = None, + show_residue_labels: bool = True, +) -> go.Figure: + """Plots a distance matrix of the graph. + + :param g: NetworkX graph containing a distance matrix as a graph attribute (``g.graph['dist_mat']``). + :type g: nx.Graph, optional + :param dist_mat: Distance matrix to plot. If not provided, the distance matrix is taken from the graph. Defaults to ``None``. + :type dist_mat: np.ndarray, optional + :param use_plotly: Whether to use ``plotly`` or ``seaborn`` for plotting. Defaults to ``True``. + :type use_plotly: bool + :param title: Title of the plot.Defaults to ``None``. + :type title: str, optional + :show_residue_labels: Whether to show residue labels on the plot. Defaults to ``True``. + :type show_residue_labels: bool + :raises: ValueError if neither a graph ``g`` or a ``dist_mat`` are provided. + :return: Plotly figure. + :rtype: px.Figure + """ + if g is None and dist_mat is None: + raise ValueError("Must provide either a graph or a distance matrix.") + + if dist_mat is None: + dist_mat = g.graph["dist_mat"] + if g is not None: + x_range = list(g.nodes) + y_range = list(g.nodes) + if not title: + title = g.graph["name"] + " - Distance Matrix" + else: + x_range = list(range(dist_mat.shape[0])) + y_range = list(range(dist_mat.shape[1])) + if not title: + title = "Distance matrix" + + if use_plotly: + fig = px.imshow( + dist_mat, + x=x_range, + y=y_range, + labels=dict(color="Distance"), + title=title, + ) + else: + if show_residue_labels: + tick_labels = x_range + else: + tick_labels = [] + fig = sns.heatmap( + dist_mat, xticklabels=tick_labels, yticklabels=tick_labels + ).set(title=title) + + return fig + + +def plot_distance_landscape( + g: Optional[nx.Graph] = None, + dist_mat: Optional[np.ndarray] = None, + add_contour: bool = True, + title: Optional[str] = None, + width: int = 500, + height: int = 500, + autosize: bool = False, +) -> go.Figure: + """Plots a distance landscape of the graph. + + :param g: Graph to plot (must contain a distance matrix in ``g.graph["dist_mat"]``). + :type g: nx.Graph + :param add_contour: Whether or not to show the contour, defaults to ``True``. + :type add_contour: bool, optional + :param width: Plot width, defaults to ``500``. + :type width: int, optional + :param height: Plot height, defaults to ``500``. + :type height: int, optional + :param autosize: Whether or not to autosize the plot, defaults to ``False``. + :type autosize: bool, optional + :return: Plotly figure of distance landscape. + :rtype: go.Figure + """ + if g: + dist_mat = g.graph["dist_mat"] + if not title: + title = g.graph["name"] + " - Distance Landscape" + tick_labels = list(g.nodes) + else: + if not title: + title = "Distance landscape" + tick_labels = list(range(dist_mat.shape[0])) + + fig = go.Figure(data=[go.Surface(z=dist_mat)]) + + if add_contour: + fig.update_traces( + contours_z=dict( + show=True, + usecolormap=True, + highlightcolor="limegreen", + project_z=True, + ) + ) + + fig.update_layout( + title=title, + autosize=autosize, + width=width, + height=height, + scene=dict( + zaxis_title="Distance", + xaxis=dict( + ticktext=tick_labels, + tickvals=list(range(len(tick_labels))), + nticks=10, + showticklabels=False, + ), + yaxis=dict( + ticktext=tick_labels, + tickvals=list(range(len(tick_labels))), + nticks=10, + showticklabels=False, + ), + ), + ) + + return fig + + +def asteroid_plot( + g: nx.Graph, + node_id: str, + k: int = 2, + colour_nodes_by: str = "shell", # residue_name + colour_edges_by: str = "kind", + edge_colour_map: plt.cm.Colormap = plt.cm.plasma, + show_labels: bool = True, + title: Optional[str] = None, + width: int = 600, + height: int = 500, + use_plotly: bool = True, + show_edges: bool = False, + node_size_multiplier: float = 10, +) -> Union[plotly.graph_objects.Figure, matplotlib.figure.Figure]: + """Plots a k-hop subgraph around a node as concentric shells. + + Radius of each point is proportional to the degree of the node (modified by node_size_multiplier). + + :param g: NetworkX graph to plot. + :type g: nx.Graph + :param node_id: Node to centre the plot around. + :type node_id: str + :param k: Number of hops to plot. Defaults to ``2``. + :type k: int + :param colour_nodes_by: Colour the nodes by this attribute. Currently only ``"shell"`` is supported. + :type colour_nodes_by: str + :param colour_edges_by: Colour the edges by this attribute. Currently only ``"kind"`` is supported. + :type colour_edges_by: str + :param edge_colour_map: Colour map for edges. Defaults to ``plt.cm.plasma``. + :type edge_colour_map: plt.cm.Colormap + :param title: Title of the plot. Defaults to ``None``. + :type title: str + :param width: Width of the plot. Defaults to ``600``. + :type width: int + :param height: Height of the plot. Defaults to ``500``. + :type height: int + :param use_plotly: Use plotly to render the graph. Defaults to ``True``. + :type use_plotly: bool + :param show_edges: Whether or not to show edges in the plot. Defaults to ``False``. + :type show_edges: bool + :param node_size_multiplier: Multiplier for the size of the nodes. Defaults to ``10``. + :type node_size_multiplier: float. + :returns: Plotly figure or matplotlib figure. + :rtpye: Union[plotly.graph_objects.Figure, matplotlib.figure.Figure] + """ + assert node_id in g.nodes(), f"Node {node_id} not in graph" + + nodes: Dict[int, List[str]] = {} + nodes[0] = [node_id] + node_list: List[str] = [node_id] + # Iterate over the number of hops and extract nodes in each shell + for i in range(1, k): + subgraph = extract_k_hop_subgraph(g, node_id, k=i) + candidate_nodes = subgraph.nodes() + # Check we've not already found nodes in the previous shells + nodes[i] = [n for n in candidate_nodes if n not in node_list] + node_list += candidate_nodes + shells = [nodes[i] for i in range(k)] + log.debug(f"Plotting shells: {shells}") + + if use_plotly: + # Get shell layout and set as node attributes. + pos = nx.shell_layout(subgraph, shells) + nx.set_node_attributes(subgraph, pos, "pos") + + if show_edges: + edge_colors = colour_edges( + subgraph, colour_map=edge_colour_map, colour_by=colour_edges_by + ) + + edge_x: List[str] = [] + edge_y: List[str] = [] + edge_type: List[str] = [] + for u, v in subgraph.edges(): + x0, y0 = subgraph.nodes[u]["pos"] + x1, y1 = subgraph.nodes[v]["pos"] + edge_x.append(x0) + edge_x.append(x1) + edge_x.append(None) + edge_y.append(y0) + edge_y.append(y1) + edge_y.append(None) + edge_trace = go.Scatter( + x=edge_x, + y=edge_y, + line=dict(width=1, color=edge_colors), + hoverinfo="text", + mode="lines", + text=[ + " / ".join(list(edge_type)) + for edge_type in nx.get_edge_attributes( + subgraph, "kind" + ).values() + ], + ) + + node_x: List[str] = [] + node_y: List[str] = [] + for node in subgraph.nodes(): + x, y = subgraph.nodes[node]["pos"] + node_x.append(x) + node_y.append(y) + + degrees = [ + subgraph.degree(n) * node_size_multiplier for n in subgraph.nodes() + ] + + if colour_nodes_by == "shell": + node_colours = [] + for n in subgraph.nodes(): + for k, v in nodes.items(): + if n in v: + node_colours.append(k) + else: + raise NotImplementedError( + f"Colour by {colour_nodes_by} not implemented." + ) + # TODO colour by AA type + node_trace = go.Scatter( + x=node_x, + y=node_y, + text=list(subgraph.nodes()), + mode="markers+text" if show_labels else "markers", + hoverinfo="text", + textposition="bottom center", + marker=dict( + colorscale="YlGnBu", + reversescale=True, + color=node_colours, + size=degrees, + colorbar=dict( + thickness=15, + title="Shell", + tickvals=list(range(k)), + xanchor="left", + titleside="right", + ), + line_width=2, + ), + ) + + data = [edge_trace, node_trace] if show_edges else [node_trace] + fig = go.Figure( + data=data, + layout=go.Layout( + title=title if title else f'Asteroid Plot - {g.graph["name"]}', + width=width, + height=height, + titlefont_size=16, + showlegend=False, + hovermode="closest", + margin=dict(b=20, l=5, r=5, t=40), + xaxis=dict( + showgrid=False, zeroline=False, showticklabels=False + ), + yaxis=dict( + showgrid=False, zeroline=False, showticklabels=False + ), + ), + ) + return fig + else: + nx.draw_shell(subgraph, nlist=shells, with_labels=show_labels) + + +def plot_chord_diagram( + g: nx.Graph, + show_names: bool = True, + order: Optional[List] = None, + width: float = 0.1, + pad: float = 2.0, + gap: float = 0.03, + chordwidth: float = 0.7, + ax=None, + colors=None, + cmap=None, + alpha=0.7, + use_gradient: bool = False, + chord_colors=None, + show: bool = False, + **kwargs, +): + """ + Plot a chord diagram. + + + Based on Tanguy Fardet's implementation: + https://github.com/tfardet/mpl_chord_diagram + + :param g: NetworkX graph to plot + Flux data, mat[i, j] is the flux from i to j (adjacency matrix) + :type g: nx.Graph + :param show_names: Whether to show the names of the nodes + :type show_names: bool + :param order: list, optional (default: order of the matrix entries) + Order in which the arcs should be placed around the trigonometric + circle. + :param width: float, optional (default: 0.1) + Width/thickness of the ideogram arc. + :type width: float + :param pad: float, optional (default: 2) + Distance between two neighboring ideogram arcs. Unit: degree. + :type pad: float + :param gap: float, optional (default: 0) + Distance between the arc and the beginning of the cord. + :type gap: float + :param chordwidth: float, optional (default: 0.7) + Position of the control points for the chords, controlling their shape. + :param ax: matplotlib axis, optional (default: new axis) + Matplotlib axis where the plot should be drawn. + :param colors: list, optional (default: from `cmap`) + List of user defined colors or floats. + :param cmap: str or colormap object (default: viridis) + Colormap that will be used to color the arcs and chords by default. + See `chord_colors` to use different colors for chords. + :param alpha: float in [0, 1], optional (default: 0.7) + Opacity of the chord diagram. + :param use_gradient: bool, optional (default: False) + Whether a gradient should be use so that chord extremities have the + same color as the arc they belong to. + :type use_gradient: bool + :param chord_colors: str, or list of colors, optional (default: None) + Specify color(s) to fill the chords differently from the arcs. + When the keyword is not used, chord colors default to the colomap given + by `colors`. + Possible values for `chord_colors` are: + + * a single color (do not use an RGB tuple, use hex format instead), + e.g. "red" or "#ff0000"; all chords will have this color + * a list of colors, e.g. ``["red", "green", "blue"]``, one per node + (in this case, RGB tuples are accepted as entries to the list). + Each chord will get its color from its associated source node, or + from both nodes if `use_gradient` is True. + :param show: bool, optional (default: False) + Whether the plot should be displayed immediately via an automatic call + to ``plt.show()``. + :param kwargs: keyword arguments + Available kwargs are: + + ================ ================== =============================== + Name Type Purpose and possible values + ================ ================== =============================== + fontcolor str or list Color of the names + fontsize int Size of the font for names + rotate_names (list of) bool(s) Rotate names by 90° + sort str Either "size" or "distance" + zero_entry_size float Size of zero-weight reciprocal + ================ ================== =============================== + :type kwargs: Dict[str, Any] + """ + mat = nx.adjacency_matrix(g) + names = list(g.nodes) + if show_names: + if g.graph["node_type"] == "chain": + names = [f"Chain {n}" for n in names] + elif g.graph["node_type"] != "secondary_structure": + raise ValueError() + else: + names = None + + a = chord_diagram( + mat, + names=names, + order=order, + width=width, + pad=pad, + gap=gap, + chordwidth=chordwidth, + ax=ax, + colors=colors, + cmap=cmap, + alpha=alpha, + use_gradient=use_gradient, + chord_colors=chord_colors, + show=show, + **kwargs, + ) + + +if __name__ == "__main__": + # TODO: Move the block here into tests. + from graphein.protein.config import ProteinGraphConfig + from graphein.protein.edges.atomic import ( + add_atomic_edges, + add_bond_order, + add_ring_status, + ) + from graphein.protein.features.nodes.amino_acid import ( + expasy_protein_scale, + meiler_embedding, + ) + from graphein.protein.graphs import construct_graph + + # Test Point cloud plotting + # v, f, a = create_mesh(pdb_code="3eiy") + # m = convert_verts_and_face_to_mesh(v, f) + # plot_pointcloud(m, "Test") + # TEST PROTEIN STRUCTURE GRAPH PLOTTING + configs = { + "granularity": "atom", + "keep_hets": False, + "deprotonate": True, + "insertions": False, + "verbose": False, + } + + config = ProteinGraphConfig(**configs) + config.edge_construction_functions = [ + add_atomic_edges, + add_ring_status, + add_bond_order, + ] + + config.node_metadata_functions = [meiler_embedding, expasy_protein_scale] + + g = construct_graph( + config=config, pdb_path="../examples/pdbs/3eiy.pdb", pdb_code="3eiy" + ) + + p = plotly_protein_structure_graph( + g, + 30, + (1000, 2000), + colour_nodes_by="element_symbol", + colour_edges_by="kind", + label_node_ids=False, + ) + + p.show() diff --git a/graphein/utils/utils.py b/graphein/utils/utils.py index 069889527..558068ee9 100644 --- a/graphein/utils/utils.py +++ b/graphein/utils/utils.py @@ -349,7 +349,6 @@ def ping(host: str) -> bool: # Building the command. Ex: "ping -c 1 google.com" command = ["ping", param, "1", host] - return subprocess.call(command) == 0 diff --git a/tests/molecule/__init__.py b/tests/molecule/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py index ecacb6ca5..1ac620cb2 100644 --- a/tests/molecule/test_graphs.py +++ b/tests/molecule/test_graphs.py @@ -1,12 +1,11 @@ """Tests for molecular graph construction""" - from pathlib import Path import networkx as nx import numpy as np from graphein.molecule.config import MoleculeGraphConfig -from graphein.molecule.graphs import construct_graph +from graphein.molecule.graphs import construct_graph, construct_junction_tree from graphein.utils.dependencies import import_message try: @@ -141,3 +140,12 @@ def test_generate_graph_pdb(): assert isinstance( d["bond"], rdkit.Chem.rdchem.Bond ), f"edge {u}-{v} does not have an RDKit bond associated with it." + + +def test_generate_graph_smiles(): + """Tests junction tree graph construction from a SMILES string.""" + g = construct_junction_tree(smiles=SMILES) + assert g.graph["name"] == SMILES + + # Check nodes + # TODO: checks for junction tree diff --git a/tests/protein_ligand/__init__.py b/tests/protein_ligand/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/tests/protein_ligand/test_data/1lds.pdb b/tests/protein_ligand/test_data/1lds.pdb new file mode 100644 index 000000000..43acc4377 --- /dev/null +++ b/tests/protein_ligand/test_data/1lds.pdb @@ -0,0 +1,1264 @@ +HEADER IMMUNE SYSTEM 09-APR-02 1LDS +TITLE CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BETA-2-MICROGLOBULIN; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: B2M; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET23A; +SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PINKWT +KEYWDS IMMUNOGLOBULIN CONSTANT DOMAIN, IMMUNE SYSTEM +EXPDTA X-RAY DIFFRACTION +AUTHOR C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.V.PHILLIPS,S.E.RADFORD +REVDAT 3 24-FEB-09 1LDS 1 VERSN +REVDAT 2 01-APR-03 1LDS 1 JRNL +REVDAT 1 31-JUL-02 1LDS 0 +JRNL AUTH C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.PHILLIPS, +JRNL AUTH 2 S.E.RADFORD +JRNL TITL CRYSTAL STRUCTURE OF MONOMERIC HUMAN +JRNL TITL 2 BETA-2-MICROGLOBULIN REVEALS CLUES TO ITS +JRNL TITL 3 AMYLOIDOGENIC PROPERTIES. +JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 9771 2002 +JRNL REFN ISSN 0027-8424 +JRNL PMID 12119416 +JRNL DOI 10.1073/PNAS.152337399 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS 1.0 +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.70 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.9 +REMARK 3 NUMBER OF REFLECTIONS : 9565 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.187 +REMARK 3 FREE R VALUE : 0.233 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 498 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.87 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : 0.2100 +REMARK 3 BIN FREE R VALUE : 0.2350 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 51 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 809 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 1 +REMARK 3 SOLVENT ATOMS : 103 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 10.28 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 2.12500 +REMARK 3 B22 (A**2) : -2.09500 +REMARK 3 B33 (A**2) : -0.03000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : -0.01700 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.18 +REMARK 3 ESD FROM SIGMAA (A) : 0.23 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.06 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.11 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.005 +REMARK 3 BOND ANGLES (DEGREES) : 1.45 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.42 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.61 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 4.827 ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.479 ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : 7.266 ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 9.501 ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: MAXIMUM LIKELIHOOD TARGET USING +REMARK 3 AMPLITUDES AS IMPLEMENTED IN CNS +REMARK 4 +REMARK 4 1LDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-02. +REMARK 100 THE RCSB ID CODE IS RCSB015863. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JUN-01 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 5.7 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SRS +REMARK 200 BEAMLINE : PX14.2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 +REMARK 200 MONOCHROMATOR : SI (111) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM +REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9604 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 26.700 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.9 +REMARK 200 DATA REDUNDANCY : 3.700 +REMARK 200 R MERGE (I) : 0.04100 +REMARK 200 R SYM (I) : 0.03500 +REMARK 200 FOR THE DATA SET : 15.8000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 90.6 +REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 +REMARK 200 R MERGE FOR SHELL (I) : 0.07300 +REMARK 200 R SYM FOR SHELL (I) : 0.06200 +REMARK 200 FOR SHELL : 9.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: PDB ENTRY 1DUZ +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 44.20 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 4-8% (W/V) PEG4000, 20% +REMARK 280 ISOPROPANOL, 100MM SODIUM CITRATE, PH 5.7, VAPOR DIFFUSION, +REMARK 280 SITTING DROP, TEMPERATURE 289K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y,-Z +REMARK 290 3555 X+1/2,Y+1/2,Z +REMARK 290 4555 -X+1/2,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 38.71250 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 14.54550 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 38.71250 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 14.54550 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 ARG A 97 +REMARK 465 ASP A 98 +REMARK 465 MET A 99 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 17 69.07 -150.48 +REMARK 500 SER A 57 -85.61 -103.73 +REMARK 500 GLU A 74 -5.78 -58.74 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 100 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 84 O +REMARK 620 2 LEU A 87 O 86.1 +REMARK 620 3 HOH A 138 O 94.7 80.7 +REMARK 620 4 HOH A 123 O 85.0 170.4 96.5 +REMARK 620 5 HOH A 203 O 86.4 83.7 164.3 99.2 +REMARK 620 6 HOH A 141 O 170.8 84.7 83.4 104.1 93.1 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 100 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1DUZ RELATED DB: PDB +REMARK 900 HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN +REMARK 900 COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN +DBREF 1LDS A 1 99 UNP P61769 B2MG_HUMAN 21 119 +SEQADV 1LDS MET A 0 UNP P61769 INITIATING MET +SEQRES 1 A 100 MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG +SEQRES 2 A 100 HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS +SEQRES 3 A 100 TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP +SEQRES 4 A 100 LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS +SEQRES 5 A 100 SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU +SEQRES 6 A 100 LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU +SEQRES 7 A 100 TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO +SEQRES 8 A 100 LYS ILE VAL LYS TRP ASP ARG ASP MET +HET NA A 100 1 +HETNAM NA SODIUM ION +FORMUL 2 NA NA 1+ +FORMUL 3 HOH *103(H2 O) +HELIX 1 1 PRO A 14 GLY A 18 5 5 +SHEET 1 A 4 LYS A 6 ARG A 12 0 +SHEET 2 A 4 PHE A 22 PHE A 30 -1 O ASN A 24 N TYR A 10 +SHEET 3 A 4 PHE A 62 GLU A 69 -1 O LEU A 64 N VAL A 27 +SHEET 4 A 4 HIS A 51 PHE A 56 -1 N SER A 55 O TYR A 63 +SHEET 1 B 4 GLU A 44 ARG A 45 0 +SHEET 2 B 4 GLU A 36 LYS A 41 -1 N LYS A 41 O GLU A 44 +SHEET 3 B 4 TYR A 78 ASN A 83 -1 O ALA A 79 N LEU A 40 +SHEET 4 B 4 LYS A 91 LYS A 94 -1 O LYS A 91 N VAL A 82 +SSBOND 1 CYS A 25 CYS A 80 1555 1555 2.03 +LINK NA NA A 100 O HIS A 84 1555 1555 2.35 +LINK NA NA A 100 O LEU A 87 1555 1555 2.25 +LINK NA NA A 100 O HOH A 138 1555 1555 2.39 +LINK NA NA A 100 O HOH A 123 1555 1555 2.41 +LINK NA NA A 100 O HOH A 203 1555 1555 2.17 +LINK NA NA A 100 O HOH A 141 1555 1555 2.72 +CISPEP 1 HIS A 31 PRO A 32 0 0.09 +SITE 1 AC1 7 ALA A 15 HIS A 84 LEU A 87 HOH A 123 +SITE 2 AC1 7 HOH A 138 HOH A 141 HOH A 203 +CRYST1 77.425 29.091 54.644 90.00 121.64 90.00 C 1 2 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.012916 0.000000 0.007958 0.00000 +SCALE2 0.000000 0.034375 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.021495 0.00000 +ATOM 1 N MET A 0 14.003 -8.253 -10.050 1.00 5.09 N +ATOM 2 CA MET A 0 14.650 -7.671 -8.841 1.00 6.67 C +ATOM 3 C MET A 0 15.800 -8.546 -8.377 1.00 12.68 C +ATOM 4 O MET A 0 15.891 -9.719 -8.736 1.00 5.87 O +ATOM 5 CB MET A 0 13.634 -7.534 -7.696 1.00 11.41 C +ATOM 6 CG MET A 0 13.079 -8.852 -7.135 1.00 11.30 C +ATOM 7 SD MET A 0 14.188 -9.791 -6.025 1.00 10.13 S +ATOM 8 CE MET A 0 13.958 -8.900 -4.484 1.00 14.90 C +ATOM 9 N ILE A 1 16.684 -7.962 -7.582 1.00 8.98 N +ATOM 10 CA ILE A 1 17.803 -8.707 -7.032 1.00 9.20 C +ATOM 11 C ILE A 1 18.180 -8.089 -5.696 1.00 7.90 C +ATOM 12 O ILE A 1 18.109 -6.873 -5.519 1.00 6.02 O +ATOM 13 CB ILE A 1 19.036 -8.681 -7.971 1.00 6.03 C +ATOM 14 CG1 ILE A 1 20.099 -9.653 -7.452 1.00 11.88 C +ATOM 15 CG2 ILE A 1 19.613 -7.275 -8.049 1.00 9.54 C +ATOM 16 CD1 ILE A 1 21.271 -9.857 -8.397 1.00 18.94 C +ATOM 17 N GLN A 2 18.532 -8.932 -4.737 1.00 2.02 N +ATOM 18 CA GLN A 2 18.963 -8.432 -3.443 1.00 3.60 C +ATOM 19 C GLN A 2 20.179 -9.236 -3.028 1.00 6.70 C +ATOM 20 O GLN A 2 20.237 -10.455 -3.217 1.00 4.11 O +ATOM 21 CB GLN A 2 17.846 -8.511 -2.395 1.00 5.72 C +ATOM 22 CG GLN A 2 17.176 -9.856 -2.228 1.00 5.03 C +ATOM 23 CD GLN A 2 15.974 -9.762 -1.307 1.00 13.57 C +ATOM 24 OE1 GLN A 2 15.234 -8.775 -1.339 1.00 9.05 O +ATOM 25 NE2 GLN A 2 15.764 -10.788 -0.492 1.00 5.72 N +ATOM 26 N ARG A 3 21.168 -8.529 -2.498 1.00 4.85 N +ATOM 27 CA ARG A 3 22.415 -9.140 -2.074 1.00 4.56 C +ATOM 28 C ARG A 3 22.789 -8.617 -0.702 1.00 6.67 C +ATOM 29 O ARG A 3 22.768 -7.407 -0.464 1.00 4.84 O +ATOM 30 CB ARG A 3 23.525 -8.797 -3.068 1.00 2.94 C +ATOM 31 CG ARG A 3 23.373 -9.451 -4.433 1.00 9.10 C +ATOM 32 CD ARG A 3 23.927 -10.871 -4.411 1.00 25.83 C +ATOM 33 NE ARG A 3 23.755 -11.559 -5.688 1.00 34.70 N +ATOM 34 CZ ARG A 3 22.621 -12.126 -6.086 1.00 49.71 C +ATOM 35 NH1 ARG A 3 21.551 -12.092 -5.304 1.00 17.27 N +ATOM 36 NH2 ARG A 3 22.556 -12.728 -7.267 1.00 46.57 N +ATOM 37 N THR A 4 23.119 -9.532 0.200 1.00 2.21 N +ATOM 38 CA THR A 4 23.507 -9.154 1.550 1.00 5.05 C +ATOM 39 C THR A 4 24.901 -8.527 1.496 1.00 5.01 C +ATOM 40 O THR A 4 25.794 -9.018 0.804 1.00 3.01 O +ATOM 41 CB THR A 4 23.519 -10.381 2.494 1.00 14.23 C +ATOM 42 OG1 THR A 4 23.796 -9.951 3.832 1.00 22.36 O +ATOM 43 CG2 THR A 4 24.575 -11.382 2.063 1.00 27.74 C +ATOM 44 N PRO A 5 25.107 -7.426 2.225 1.00 1.97 N +ATOM 45 CA PRO A 5 26.426 -6.794 2.192 1.00 6.40 C +ATOM 46 C PRO A 5 27.532 -7.552 2.917 1.00 8.24 C +ATOM 47 O PRO A 5 27.284 -8.236 3.912 1.00 7.61 O +ATOM 48 CB PRO A 5 26.164 -5.432 2.834 1.00 8.26 C +ATOM 49 CG PRO A 5 25.080 -5.734 3.823 1.00 12.08 C +ATOM 50 CD PRO A 5 24.157 -6.629 3.023 1.00 6.41 C +ATOM 51 N LYS A 6 28.749 -7.445 2.392 1.00 6.93 N +ATOM 52 CA LYS A 6 29.902 -8.041 3.044 1.00 4.70 C +ATOM 53 C LYS A 6 30.295 -6.894 3.974 1.00 6.41 C +ATOM 54 O LYS A 6 30.212 -5.729 3.580 1.00 7.65 O +ATOM 55 CB LYS A 6 31.023 -8.312 2.043 1.00 12.00 C +ATOM 56 CG LYS A 6 32.255 -8.944 2.666 1.00 22.05 C +ATOM 57 CD LYS A 6 33.317 -9.239 1.620 1.00 32.03 C +ATOM 58 CE LYS A 6 34.503 -9.966 2.230 1.00 32.04 C +ATOM 59 NZ LYS A 6 35.533 -10.293 1.204 1.00 46.88 N +ATOM 60 N ILE A 7 30.706 -7.210 5.196 1.00 4.34 N +ATOM 61 CA ILE A 7 31.067 -6.173 6.162 1.00 1.88 C +ATOM 62 C ILE A 7 32.452 -6.416 6.753 1.00 5.24 C +ATOM 63 O ILE A 7 32.716 -7.476 7.317 1.00 6.69 O +ATOM 64 CB ILE A 7 30.034 -6.132 7.310 1.00 4.76 C +ATOM 65 CG1 ILE A 7 28.628 -5.930 6.735 1.00 6.32 C +ATOM 66 CG2 ILE A 7 30.381 -5.015 8.294 1.00 11.51 C +ATOM 67 CD1 ILE A 7 27.509 -6.191 7.732 1.00 4.95 C +ATOM 68 N GLN A 8 33.334 -5.431 6.621 1.00 4.37 N +ATOM 69 CA GLN A 8 34.688 -5.549 7.149 1.00 5.13 C +ATOM 70 C GLN A 8 35.017 -4.327 7.994 1.00 7.32 C +ATOM 71 O GLN A 8 34.800 -3.189 7.571 1.00 5.46 O +ATOM 72 CB GLN A 8 35.688 -5.684 6.002 1.00 9.94 C +ATOM 73 CG GLN A 8 35.350 -6.823 5.048 1.00 8.18 C +ATOM 74 CD GLN A 8 36.251 -6.850 3.836 1.00 13.13 C +ATOM 75 OE1 GLN A 8 37.250 -7.572 3.803 1.00 15.63 O +ATOM 76 NE2 GLN A 8 35.913 -6.050 2.835 1.00 6.85 N +ATOM 77 N VAL A 9 35.537 -4.576 9.192 1.00 3.97 N +ATOM 78 CA VAL A 9 35.887 -3.508 10.125 1.00 4.60 C +ATOM 79 C VAL A 9 37.386 -3.557 10.386 1.00 6.40 C +ATOM 80 O VAL A 9 37.929 -4.588 10.779 1.00 7.54 O +ATOM 81 CB VAL A 9 35.115 -3.675 11.443 1.00 2.56 C +ATOM 82 CG1 VAL A 9 35.305 -2.460 12.327 1.00 5.44 C +ATOM 83 CG2 VAL A 9 33.637 -3.889 11.142 1.00 10.30 C +ATOM 84 N TYR A 10 38.053 -2.435 10.159 1.00 5.14 N +ATOM 85 CA TYR A 10 39.499 -2.369 10.334 1.00 6.13 C +ATOM 86 C TYR A 10 39.923 -0.945 10.651 1.00 4.18 C +ATOM 87 O TYR A 10 39.119 -0.019 10.580 1.00 4.17 O +ATOM 88 CB TYR A 10 40.196 -2.829 9.050 1.00 1.00 C +ATOM 89 CG TYR A 10 39.696 -2.114 7.808 1.00 6.60 C +ATOM 90 CD1 TYR A 10 38.513 -2.507 7.183 1.00 8.01 C +ATOM 91 CD2 TYR A 10 40.392 -1.029 7.275 1.00 6.17 C +ATOM 92 CE1 TYR A 10 38.033 -1.838 6.056 1.00 12.92 C +ATOM 93 CE2 TYR A 10 39.919 -0.350 6.147 1.00 9.78 C +ATOM 94 CZ TYR A 10 38.740 -0.763 5.544 1.00 15.25 C +ATOM 95 OH TYR A 10 38.271 -0.109 4.428 1.00 9.94 O +ATOM 96 N SER A 11 41.191 -0.775 11.007 1.00 7.39 N +ATOM 97 CA SER A 11 41.710 0.548 11.319 1.00 9.46 C +ATOM 98 C SER A 11 42.847 0.886 10.356 1.00 9.77 C +ATOM 99 O SER A 11 43.539 -0.007 9.861 1.00 6.83 O +ATOM 100 CB SER A 11 42.206 0.598 12.769 1.00 7.59 C +ATOM 101 OG SER A 11 43.264 -0.317 12.976 1.00 8.88 O +ATOM 102 N ARG A 12 43.023 2.176 10.085 1.00 4.95 N +ATOM 103 CA ARG A 12 44.072 2.645 9.183 1.00 6.18 C +ATOM 104 C ARG A 12 44.652 3.979 9.646 1.00 6.07 C +ATOM 105 O ARG A 12 43.930 4.838 10.150 1.00 6.60 O +ATOM 106 CB ARG A 12 43.513 2.826 7.767 1.00 5.71 C +ATOM 107 CG ARG A 12 43.024 1.551 7.100 1.00 4.47 C +ATOM 108 CD ARG A 12 44.174 0.731 6.543 1.00 6.11 C +ATOM 109 NE ARG A 12 43.696 -0.424 5.787 1.00 8.26 N +ATOM 110 CZ ARG A 12 43.437 -1.620 6.310 1.00 9.54 C +ATOM 111 NH1 ARG A 12 43.610 -1.841 7.607 1.00 8.16 N +ATOM 112 NH2 ARG A 12 43.002 -2.599 5.528 1.00 11.79 N +ATOM 113 N HIS A 13 45.958 4.136 9.454 1.00 4.04 N +ATOM 114 CA HIS A 13 46.677 5.359 9.801 1.00 6.70 C +ATOM 115 C HIS A 13 47.051 6.033 8.483 1.00 5.07 C +ATOM 116 O HIS A 13 47.717 5.425 7.647 1.00 7.55 O +ATOM 117 CB HIS A 13 47.987 5.041 10.533 1.00 2.75 C +ATOM 118 CG HIS A 13 47.809 4.340 11.842 1.00 6.07 C +ATOM 119 ND1 HIS A 13 47.484 5.005 13.005 1.00 12.03 N +ATOM 120 CD2 HIS A 13 47.945 3.036 12.180 1.00 10.08 C +ATOM 121 CE1 HIS A 13 47.432 4.142 14.003 1.00 11.54 C +ATOM 122 NE2 HIS A 13 47.707 2.940 13.529 1.00 7.25 N +ATOM 123 N PRO A 14 46.616 7.285 8.266 1.00 5.98 N +ATOM 124 CA PRO A 14 46.989 7.932 7.003 1.00 12.71 C +ATOM 125 C PRO A 14 48.507 8.111 7.000 1.00 11.60 C +ATOM 126 O PRO A 14 49.076 8.608 7.969 1.00 13.01 O +ATOM 127 CB PRO A 14 46.230 9.258 7.056 1.00 12.82 C +ATOM 128 CG PRO A 14 46.136 9.538 8.523 1.00 12.78 C +ATOM 129 CD PRO A 14 45.800 8.182 9.101 1.00 11.54 C +ATOM 130 N ALA A 15 49.160 7.695 5.918 1.00 5.64 N +ATOM 131 CA ALA A 15 50.612 7.782 5.826 1.00 5.70 C +ATOM 132 C ALA A 15 51.166 9.190 6.026 1.00 7.90 C +ATOM 133 O ALA A 15 52.269 9.351 6.539 1.00 7.39 O +ATOM 134 CB ALA A 15 51.084 7.227 4.487 1.00 12.69 C +ATOM 135 N GLU A 16 50.403 10.201 5.620 1.00 12.94 N +ATOM 136 CA GLU A 16 50.842 11.589 5.761 1.00 14.01 C +ATOM 137 C GLU A 16 50.694 12.107 7.191 1.00 23.94 C +ATOM 138 O GLU A 16 51.208 13.174 7.530 1.00 21.36 O +ATOM 139 CB GLU A 16 50.053 12.493 4.808 1.00 19.19 C +ATOM 140 CG GLU A 16 50.334 12.236 3.334 1.00 30.03 C +ATOM 141 CD GLU A 16 49.565 13.172 2.418 1.00 58.54 C +ATOM 142 OE1 GLU A 16 49.778 13.111 1.188 1.00 59.53 O +ATOM 143 OE2 GLU A 16 48.748 13.968 2.926 1.00 62.60 O +ATOM 144 N ASN A 17 49.993 11.347 8.026 1.00 15.27 N +ATOM 145 CA ASN A 17 49.772 11.728 9.418 1.00 18.99 C +ATOM 146 C ASN A 17 49.632 10.450 10.243 1.00 12.16 C +ATOM 147 O ASN A 17 48.553 10.133 10.743 1.00 15.09 O +ATOM 148 CB ASN A 17 48.501 12.572 9.524 1.00 19.27 C +ATOM 149 CG ASN A 17 48.343 13.228 10.881 1.00 38.87 C +ATOM 150 OD1 ASN A 17 47.361 13.927 11.132 1.00 35.08 O +ATOM 151 ND2 ASN A 17 49.310 13.009 11.764 1.00 35.04 N +ATOM 152 N GLY A 18 50.742 9.730 10.375 1.00 12.96 N +ATOM 153 CA GLY A 18 50.767 8.468 11.097 1.00 10.52 C +ATOM 154 C GLY A 18 50.160 8.392 12.484 1.00 21.05 C +ATOM 155 O GLY A 18 49.694 7.325 12.889 1.00 12.95 O +ATOM 156 N LYS A 19 50.167 9.499 13.221 1.00 12.38 N +ATOM 157 CA LYS A 19 49.608 9.504 14.571 1.00 19.16 C +ATOM 158 C LYS A 19 48.097 9.315 14.553 1.00 20.22 C +ATOM 159 O LYS A 19 47.524 8.747 15.483 1.00 22.51 O +ATOM 160 CB LYS A 19 49.950 10.812 15.291 1.00 16.70 C +ATOM 161 CG LYS A 19 51.433 11.009 15.556 1.00 31.22 C +ATOM 162 CD LYS A 19 51.684 12.324 16.282 1.00 59.25 C +ATOM 163 CE LYS A 19 53.162 12.530 16.572 1.00 64.99 C +ATOM 164 NZ LYS A 19 53.413 13.814 17.285 1.00 63.32 N +ATOM 165 N SER A 20 47.454 9.796 13.493 1.00 11.40 N +ATOM 166 CA SER A 20 46.008 9.672 13.359 1.00 6.65 C +ATOM 167 C SER A 20 45.618 8.230 13.051 1.00 10.43 C +ATOM 168 O SER A 20 46.307 7.539 12.302 1.00 11.75 O +ATOM 169 CB SER A 20 45.496 10.588 12.245 1.00 15.33 C +ATOM 170 OG SER A 20 45.703 11.948 12.577 1.00 36.09 O +ATOM 171 N ASN A 21 44.508 7.792 13.634 1.00 8.97 N +ATOM 172 CA ASN A 21 44.007 6.435 13.441 1.00 8.00 C +ATOM 173 C ASN A 21 42.528 6.542 13.082 1.00 8.67 C +ATOM 174 O ASN A 21 41.788 7.306 13.702 1.00 7.57 O +ATOM 175 CB ASN A 21 44.178 5.638 14.736 1.00 10.57 C +ATOM 176 CG ASN A 21 44.167 4.139 14.511 1.00 13.49 C +ATOM 177 OD1 ASN A 21 43.973 3.660 13.391 1.00 8.43 O +ATOM 178 ND2 ASN A 21 44.379 3.388 15.585 1.00 9.04 N +ATOM 179 N PHE A 22 42.101 5.783 12.078 1.00 6.04 N +ATOM 180 CA PHE A 22 40.711 5.815 11.643 1.00 7.04 C +ATOM 181 C PHE A 22 40.033 4.455 11.702 1.00 3.00 C +ATOM 182 O PHE A 22 40.598 3.445 11.279 1.00 5.44 O +ATOM 183 CB PHE A 22 40.612 6.355 10.212 1.00 7.91 C +ATOM 184 CG PHE A 22 40.952 7.815 10.088 1.00 8.60 C +ATOM 185 CD1 PHE A 22 42.255 8.261 10.290 1.00 16.28 C +ATOM 186 CD2 PHE A 22 39.964 8.745 9.779 1.00 10.20 C +ATOM 187 CE1 PHE A 22 42.571 9.615 10.185 1.00 19.03 C +ATOM 188 CE2 PHE A 22 40.268 10.101 9.673 1.00 12.26 C +ATOM 189 CZ PHE A 22 41.575 10.537 9.876 1.00 14.52 C +ATOM 190 N LEU A 23 38.817 4.445 12.236 1.00 6.48 N +ATOM 191 CA LEU A 23 38.024 3.226 12.335 1.00 4.75 C +ATOM 192 C LEU A 23 37.188 3.167 11.063 1.00 1.86 C +ATOM 193 O LEU A 23 36.453 4.108 10.754 1.00 4.54 O +ATOM 194 CB LEU A 23 37.112 3.280 13.561 1.00 6.12 C +ATOM 195 CG LEU A 23 36.174 2.085 13.756 1.00 4.68 C +ATOM 196 CD1 LEU A 23 36.981 0.789 13.853 1.00 7.65 C +ATOM 197 CD2 LEU A 23 35.346 2.305 15.015 1.00 5.62 C +ATOM 198 N ASN A 24 37.298 2.053 10.344 1.00 4.19 N +ATOM 199 CA ASN A 24 36.600 1.859 9.076 1.00 6.68 C +ATOM 200 C ASN A 24 35.612 0.704 9.050 1.00 3.97 C +ATOM 201 O ASN A 24 35.865 -0.359 9.619 1.00 5.77 O +ATOM 202 CB ASN A 24 37.612 1.589 7.956 1.00 7.29 C +ATOM 203 CG ASN A 24 38.534 2.758 7.692 1.00 8.10 C +ATOM 204 OD1 ASN A 24 38.291 3.562 6.796 1.00 11.48 O +ATOM 205 ND2 ASN A 24 39.603 2.856 8.472 1.00 9.88 N +ATOM 206 N CYS A 25 34.491 0.928 8.374 1.00 4.36 N +ATOM 207 CA CYS A 25 33.486 -0.105 8.179 1.00 3.54 C +ATOM 208 C CYS A 25 33.217 -0.101 6.684 1.00 7.24 C +ATOM 209 O CYS A 25 32.603 0.831 6.160 1.00 7.80 O +ATOM 210 CB CYS A 25 32.180 0.196 8.910 1.00 3.68 C +ATOM 211 SG CYS A 25 31.013 -1.193 8.719 1.00 9.03 S +ATOM 212 N TYR A 26 33.699 -1.129 5.996 1.00 2.86 N +ATOM 213 CA TYR A 26 33.500 -1.233 4.562 1.00 3.52 C +ATOM 214 C TYR A 26 32.368 -2.210 4.308 1.00 2.81 C +ATOM 215 O TYR A 26 32.488 -3.398 4.599 1.00 4.50 O +ATOM 216 CB TYR A 26 34.787 -1.713 3.887 1.00 2.87 C +ATOM 217 CG TYR A 26 34.710 -1.796 2.384 1.00 6.30 C +ATOM 218 CD1 TYR A 26 34.150 -0.762 1.636 1.00 9.14 C +ATOM 219 CD2 TYR A 26 35.235 -2.896 1.702 1.00 6.28 C +ATOM 220 CE1 TYR A 26 34.115 -0.817 0.242 1.00 10.15 C +ATOM 221 CE2 TYR A 26 35.206 -2.960 0.309 1.00 10.27 C +ATOM 222 CZ TYR A 26 34.647 -1.918 -0.412 1.00 16.27 C +ATOM 223 OH TYR A 26 34.630 -1.970 -1.787 1.00 11.35 O +ATOM 224 N VAL A 27 31.263 -1.690 3.778 1.00 2.53 N +ATOM 225 CA VAL A 27 30.069 -2.484 3.480 1.00 1.00 C +ATOM 226 C VAL A 27 30.013 -2.590 1.960 1.00 6.29 C +ATOM 227 O VAL A 27 29.782 -1.598 1.272 1.00 4.64 O +ATOM 228 CB VAL A 27 28.824 -1.771 4.032 1.00 3.85 C +ATOM 229 CG1 VAL A 27 27.589 -2.643 3.861 1.00 5.98 C +ATOM 230 CG2 VAL A 27 29.045 -1.442 5.499 1.00 6.42 C +ATOM 231 N SER A 28 30.202 -3.799 1.438 1.00 7.30 N +ATOM 232 CA SER A 28 30.285 -3.969 -0.006 1.00 5.33 C +ATOM 233 C SER A 28 29.359 -4.938 -0.723 1.00 6.31 C +ATOM 234 O SER A 28 28.902 -5.929 -0.154 1.00 5.47 O +ATOM 235 CB SER A 28 31.722 -4.352 -0.352 1.00 8.45 C +ATOM 236 OG SER A 28 32.078 -5.547 0.335 1.00 7.42 O +ATOM 237 N GLY A 29 29.131 -4.630 -1.999 1.00 4.91 N +ATOM 238 CA GLY A 29 28.313 -5.448 -2.879 1.00 4.59 C +ATOM 239 C GLY A 29 26.865 -5.674 -2.505 1.00 7.77 C +ATOM 240 O GLY A 29 26.304 -6.717 -2.833 1.00 11.51 O +ATOM 241 N PHE A 30 26.239 -4.705 -1.847 1.00 3.38 N +ATOM 242 CA PHE A 30 24.852 -4.887 -1.442 1.00 2.53 C +ATOM 243 C PHE A 30 23.818 -4.271 -2.379 1.00 10.78 C +ATOM 244 O PHE A 30 24.132 -3.397 -3.186 1.00 5.84 O +ATOM 245 CB PHE A 30 24.638 -4.344 -0.023 1.00 5.77 C +ATOM 246 CG PHE A 30 24.920 -2.869 0.126 1.00 4.24 C +ATOM 247 CD1 PHE A 30 26.220 -2.406 0.330 1.00 2.86 C +ATOM 248 CD2 PHE A 30 23.880 -1.947 0.084 1.00 5.94 C +ATOM 249 CE1 PHE A 30 26.474 -1.039 0.497 1.00 4.07 C +ATOM 250 CE2 PHE A 30 24.122 -0.582 0.249 1.00 1.81 C +ATOM 251 CZ PHE A 30 25.419 -0.129 0.456 1.00 2.57 C +ATOM 252 N HIS A 31 22.585 -4.760 -2.260 1.00 4.68 N +ATOM 253 CA HIS A 31 21.440 -4.282 -3.032 1.00 2.85 C +ATOM 254 C HIS A 31 20.183 -4.819 -2.349 1.00 2.70 C +ATOM 255 O HIS A 31 20.151 -5.977 -1.922 1.00 3.31 O +ATOM 256 CB HIS A 31 21.502 -4.782 -4.483 1.00 4.13 C +ATOM 257 CG HIS A 31 20.617 -4.018 -5.419 1.00 5.32 C +ATOM 258 ND1 HIS A 31 19.354 -4.444 -5.773 1.00 6.01 N +ATOM 259 CD2 HIS A 31 20.793 -2.821 -6.029 1.00 10.04 C +ATOM 260 CE1 HIS A 31 18.791 -3.543 -6.560 1.00 16.44 C +ATOM 261 NE2 HIS A 31 19.644 -2.548 -6.730 1.00 14.29 N +ATOM 262 N PRO A 32 19.132 -3.987 -2.221 1.00 4.15 N +ATOM 263 CA PRO A 32 19.046 -2.591 -2.672 1.00 1.07 C +ATOM 264 C PRO A 32 19.985 -1.678 -1.893 1.00 4.50 C +ATOM 265 O PRO A 32 20.607 -2.104 -0.926 1.00 4.79 O +ATOM 266 CB PRO A 32 17.576 -2.248 -2.449 1.00 2.62 C +ATOM 267 CG PRO A 32 17.224 -3.078 -1.252 1.00 11.51 C +ATOM 268 CD PRO A 32 17.873 -4.405 -1.580 1.00 12.35 C +ATOM 269 N SER A 33 20.070 -0.419 -2.316 1.00 5.38 N +ATOM 270 CA SER A 33 20.953 0.551 -1.677 1.00 4.80 C +ATOM 271 C SER A 33 20.506 1.011 -0.287 1.00 1.28 C +ATOM 272 O SER A 33 21.337 1.462 0.502 1.00 5.58 O +ATOM 273 CB SER A 33 21.124 1.770 -2.588 1.00 1.00 C +ATOM 274 OG SER A 33 19.873 2.398 -2.796 1.00 5.72 O +ATOM 275 N ASP A 34 19.209 0.918 0.011 1.00 1.00 N +ATOM 276 CA ASP A 34 18.706 1.317 1.330 1.00 1.33 C +ATOM 277 C ASP A 34 19.517 0.597 2.400 1.00 4.71 C +ATOM 278 O ASP A 34 19.657 -0.623 2.362 1.00 3.90 O +ATOM 279 CB ASP A 34 17.237 0.934 1.504 1.00 3.64 C +ATOM 280 CG ASP A 34 16.322 1.680 0.564 1.00 10.10 C +ATOM 281 OD1 ASP A 34 16.564 1.643 -0.660 1.00 34.23 O +ATOM 282 OD2 ASP A 34 15.352 2.290 1.057 1.00 12.60 O +ATOM 283 N ILE A 35 20.036 1.340 3.369 1.00 2.93 N +ATOM 284 CA ILE A 35 20.833 0.703 4.405 1.00 3.48 C +ATOM 285 C ILE A 35 21.054 1.647 5.583 1.00 5.41 C +ATOM 286 O ILE A 35 20.914 2.858 5.453 1.00 3.79 O +ATOM 287 CB ILE A 35 22.197 0.252 3.812 1.00 1.84 C +ATOM 288 CG1 ILE A 35 22.831 -0.827 4.690 1.00 2.27 C +ATOM 289 CG2 ILE A 35 23.133 1.452 3.663 1.00 5.07 C +ATOM 290 CD1 ILE A 35 24.018 -1.518 4.029 1.00 5.70 C +ATOM 291 N GLU A 36 21.363 1.073 6.739 1.00 4.67 N +ATOM 292 CA GLU A 36 21.638 1.846 7.942 1.00 8.88 C +ATOM 293 C GLU A 36 22.937 1.275 8.489 1.00 8.06 C +ATOM 294 O GLU A 36 23.059 0.065 8.677 1.00 5.17 O +ATOM 295 CB GLU A 36 20.507 1.689 8.962 1.00 2.69 C +ATOM 296 CG GLU A 36 20.787 2.356 10.301 1.00 8.02 C +ATOM 297 CD GLU A 36 19.594 2.310 11.233 1.00 17.36 C +ATOM 298 OE1 GLU A 36 18.883 1.284 11.238 1.00 15.29 O +ATOM 299 OE2 GLU A 36 19.372 3.294 11.966 1.00 14.36 O +ATOM 300 N VAL A 37 23.914 2.143 8.728 1.00 3.70 N +ATOM 301 CA VAL A 37 25.210 1.697 9.218 1.00 3.23 C +ATOM 302 C VAL A 37 25.706 2.586 10.338 1.00 7.35 C +ATOM 303 O VAL A 37 25.658 3.808 10.235 1.00 5.44 O +ATOM 304 CB VAL A 37 26.262 1.712 8.090 1.00 1.00 C +ATOM 305 CG1 VAL A 37 27.616 1.251 8.628 1.00 5.71 C +ATOM 306 CG2 VAL A 37 25.803 0.819 6.943 1.00 4.93 C +ATOM 307 N ASP A 38 26.191 1.962 11.404 1.00 4.65 N +ATOM 308 CA ASP A 38 26.711 2.699 12.548 1.00 7.24 C +ATOM 309 C ASP A 38 27.997 2.088 13.059 1.00 9.24 C +ATOM 310 O ASP A 38 28.201 0.878 12.974 1.00 7.97 O +ATOM 311 CB ASP A 38 25.707 2.695 13.704 1.00 6.08 C +ATOM 312 CG ASP A 38 24.557 3.651 13.485 1.00 11.53 C +ATOM 313 OD1 ASP A 38 24.806 4.872 13.410 1.00 12.77 O +ATOM 314 OD2 ASP A 38 23.407 3.178 13.394 1.00 12.49 O +ATOM 315 N LEU A 39 28.876 2.941 13.569 1.00 3.87 N +ATOM 316 CA LEU A 39 30.106 2.470 14.179 1.00 3.85 C +ATOM 317 C LEU A 39 29.710 2.491 15.649 1.00 11.34 C +ATOM 318 O LEU A 39 28.949 3.363 16.067 1.00 7.55 O +ATOM 319 CB LEU A 39 31.260 3.442 13.928 1.00 2.31 C +ATOM 320 CG LEU A 39 31.770 3.519 12.487 1.00 9.10 C +ATOM 321 CD1 LEU A 39 32.958 4.456 12.413 1.00 7.16 C +ATOM 322 CD2 LEU A 39 32.174 2.130 12.023 1.00 6.21 C +ATOM 323 N LEU A 40 30.201 1.528 16.421 1.00 6.03 N +ATOM 324 CA LEU A 40 29.875 1.450 17.837 1.00 11.60 C +ATOM 325 C LEU A 40 31.122 1.465 18.699 1.00 10.58 C +ATOM 326 O LEU A 40 32.181 0.990 18.291 1.00 8.71 O +ATOM 327 CB LEU A 40 29.109 0.158 18.145 1.00 7.69 C +ATOM 328 CG LEU A 40 27.867 -0.211 17.330 1.00 6.51 C +ATOM 329 CD1 LEU A 40 27.324 -1.540 17.829 1.00 14.34 C +ATOM 330 CD2 LEU A 40 26.812 0.869 17.448 1.00 8.69 C +ATOM 331 N LYS A 41 30.981 2.028 19.893 1.00 9.68 N +ATOM 332 CA LYS A 41 32.059 2.065 20.869 1.00 11.38 C +ATOM 333 C LYS A 41 31.414 1.542 22.142 1.00 8.80 C +ATOM 334 O LYS A 41 30.535 2.192 22.712 1.00 11.20 O +ATOM 335 CB LYS A 41 32.569 3.484 21.103 1.00 12.19 C +ATOM 336 CG LYS A 41 33.722 3.522 22.103 1.00 14.14 C +ATOM 337 CD LYS A 41 34.180 4.932 22.406 1.00 12.18 C +ATOM 338 CE LYS A 41 35.291 4.914 23.444 1.00 29.29 C +ATOM 339 NZ LYS A 41 35.703 6.283 23.853 1.00 25.27 N +ATOM 340 N ASN A 42 31.837 0.359 22.567 1.00 11.90 N +ATOM 341 CA ASN A 42 31.284 -0.268 23.759 1.00 18.03 C +ATOM 342 C ASN A 42 29.760 -0.353 23.672 1.00 27.79 C +ATOM 343 O ASN A 42 29.051 -0.056 24.636 1.00 27.23 O +ATOM 344 CB ASN A 42 31.706 0.506 25.012 1.00 25.83 C +ATOM 345 CG ASN A 42 33.214 0.577 25.168 1.00 18.31 C +ATOM 346 OD1 ASN A 42 33.908 -0.431 25.044 1.00 18.76 O +ATOM 347 ND2 ASN A 42 33.729 1.772 25.443 1.00 21.84 N +ATOM 348 N GLY A 43 29.267 -0.751 22.501 1.00 25.21 N +ATOM 349 CA GLY A 43 27.835 -0.895 22.295 1.00 23.86 C +ATOM 350 C GLY A 43 27.056 0.380 22.036 1.00 20.96 C +ATOM 351 O GLY A 43 25.876 0.325 21.688 1.00 25.63 O +ATOM 352 N GLU A 44 27.706 1.526 22.206 1.00 13.88 N +ATOM 353 CA GLU A 44 27.065 2.818 21.995 1.00 14.99 C +ATOM 354 C GLU A 44 27.344 3.345 20.593 1.00 15.66 C +ATOM 355 O GLU A 44 28.468 3.279 20.106 1.00 13.49 O +ATOM 356 CB GLU A 44 27.574 3.834 23.023 1.00 24.96 C +ATOM 357 CG GLU A 44 27.198 3.534 24.470 1.00 30.10 C +ATOM 358 CD GLU A 44 25.755 3.880 24.789 1.00 46.26 C +ATOM 359 OE1 GLU A 44 25.335 5.016 24.488 1.00 47.27 O +ATOM 360 OE2 GLU A 44 25.042 3.023 25.352 1.00 33.08 O +ATOM 361 N ARG A 45 26.312 3.879 19.953 1.00 12.45 N +ATOM 362 CA ARG A 45 26.445 4.425 18.609 1.00 16.00 C +ATOM 363 C ARG A 45 27.329 5.672 18.599 1.00 15.48 C +ATOM 364 O ARG A 45 27.163 6.564 19.430 1.00 19.39 O +ATOM 365 CB ARG A 45 25.056 4.766 18.061 1.00 12.17 C +ATOM 366 CG ARG A 45 25.048 5.548 16.764 1.00 27.57 C +ATOM 367 CD ARG A 45 23.619 5.746 16.274 1.00 29.67 C +ATOM 368 NE ARG A 45 23.552 6.552 15.059 1.00 41.22 N +ATOM 369 CZ ARG A 45 23.793 7.858 15.011 1.00 47.93 C +ATOM 370 NH1 ARG A 45 24.117 8.516 16.115 1.00 48.83 N +ATOM 371 NH2 ARG A 45 23.707 8.507 13.857 1.00 40.81 N +ATOM 372 N ILE A 46 28.281 5.719 17.671 1.00 7.94 N +ATOM 373 CA ILE A 46 29.160 6.877 17.541 1.00 8.09 C +ATOM 374 C ILE A 46 28.415 7.879 16.659 1.00 14.48 C +ATOM 375 O ILE A 46 28.218 7.651 15.468 1.00 10.05 O +ATOM 376 CB ILE A 46 30.513 6.484 16.895 1.00 6.08 C +ATOM 377 CG1 ILE A 46 31.253 5.508 17.813 1.00 10.15 C +ATOM 378 CG2 ILE A 46 31.359 7.724 16.639 1.00 10.90 C +ATOM 379 CD1 ILE A 46 32.554 4.971 17.241 1.00 13.79 C +ATOM 380 N GLU A 47 27.990 8.985 17.262 1.00 17.83 N +ATOM 381 CA GLU A 47 27.231 10.014 16.560 1.00 23.98 C +ATOM 382 C GLU A 47 28.038 10.752 15.499 1.00 24.25 C +ATOM 383 O GLU A 47 27.525 11.077 14.429 1.00 25.34 O +ATOM 384 CB GLU A 47 26.679 11.024 17.569 1.00 33.47 C +ATOM 385 CG GLU A 47 25.743 12.060 16.974 1.00 53.45 C +ATOM 386 CD GLU A 47 24.440 11.456 16.490 1.00 66.19 C +ATOM 387 OE1 GLU A 47 23.694 10.902 17.326 1.00 59.58 O +ATOM 388 OE2 GLU A 47 24.161 11.535 15.275 1.00 65.83 O +ATOM 389 N LYS A 48 29.303 11.010 15.803 1.00 13.47 N +ATOM 390 CA LYS A 48 30.178 11.729 14.893 1.00 24.38 C +ATOM 391 C LYS A 48 31.016 10.823 13.994 1.00 21.74 C +ATOM 392 O LYS A 48 32.017 10.262 14.431 1.00 14.47 O +ATOM 393 CB LYS A 48 31.106 12.640 15.702 1.00 26.34 C +ATOM 394 CG LYS A 48 32.110 13.427 14.882 1.00 29.56 C +ATOM 395 CD LYS A 48 33.051 14.200 15.794 1.00 33.29 C +ATOM 396 CE LYS A 48 34.007 15.068 14.997 1.00 50.95 C +ATOM 397 NZ LYS A 48 33.279 16.107 14.218 1.00 61.91 N +ATOM 398 N VAL A 49 30.590 10.667 12.744 1.00 17.01 N +ATOM 399 CA VAL A 49 31.338 9.870 11.776 1.00 10.20 C +ATOM 400 C VAL A 49 31.580 10.791 10.585 1.00 15.47 C +ATOM 401 O VAL A 49 30.678 11.060 9.791 1.00 15.53 O +ATOM 402 CB VAL A 49 30.568 8.613 11.329 1.00 7.87 C +ATOM 403 CG1 VAL A 49 31.385 7.855 10.287 1.00 7.12 C +ATOM 404 CG2 VAL A 49 30.304 7.713 12.535 1.00 9.70 C +ATOM 405 N GLU A 50 32.815 11.272 10.489 1.00 7.12 N +ATOM 406 CA GLU A 50 33.240 12.217 9.463 1.00 13.36 C +ATOM 407 C GLU A 50 33.110 11.825 7.996 1.00 19.43 C +ATOM 408 O GLU A 50 32.853 12.682 7.149 1.00 16.94 O +ATOM 409 CB GLU A 50 34.693 12.625 9.727 1.00 19.22 C +ATOM 410 CG GLU A 50 34.909 13.405 11.013 1.00 44.63 C +ATOM 411 CD GLU A 50 34.252 14.773 10.986 1.00 54.17 C +ATOM 412 OE1 GLU A 50 34.423 15.532 11.962 1.00 65.17 O +ATOM 413 OE2 GLU A 50 33.566 15.092 9.992 1.00 63.53 O +ATOM 414 N HIS A 51 33.282 10.546 7.685 1.00 10.35 N +ATOM 415 CA HIS A 51 33.224 10.119 6.291 1.00 6.92 C +ATOM 416 C HIS A 51 32.238 8.997 5.987 1.00 3.60 C +ATOM 417 O HIS A 51 32.171 7.998 6.698 1.00 6.88 O +ATOM 418 CB HIS A 51 34.624 9.701 5.845 1.00 14.30 C +ATOM 419 CG HIS A 51 35.658 10.766 6.035 1.00 21.79 C +ATOM 420 ND1 HIS A 51 35.761 11.860 5.203 1.00 25.21 N +ATOM 421 CD2 HIS A 51 36.616 10.920 6.979 1.00 31.85 C +ATOM 422 CE1 HIS A 51 36.739 12.642 5.626 1.00 31.43 C +ATOM 423 NE2 HIS A 51 37.273 12.095 6.703 1.00 29.86 N +ATOM 424 N SER A 52 31.472 9.183 4.916 1.00 9.01 N +ATOM 425 CA SER A 52 30.493 8.199 4.466 1.00 5.16 C +ATOM 426 C SER A 52 30.500 8.296 2.942 1.00 15.14 C +ATOM 427 O SER A 52 29.829 9.148 2.366 1.00 16.36 O +ATOM 428 CB SER A 52 29.102 8.536 5.010 1.00 11.20 C +ATOM 429 OG SER A 52 28.177 7.497 4.737 1.00 9.94 O +ATOM 430 N ASP A 53 31.273 7.427 2.299 1.00 7.19 N +ATOM 431 CA ASP A 53 31.393 7.439 0.843 1.00 9.62 C +ATOM 432 C ASP A 53 30.648 6.285 0.184 1.00 8.88 C +ATOM 433 O ASP A 53 30.994 5.120 0.385 1.00 8.55 O +ATOM 434 CB ASP A 53 32.872 7.383 0.433 1.00 13.75 C +ATOM 435 CG ASP A 53 33.722 8.427 1.143 1.00 23.24 C +ATOM 436 OD1 ASP A 53 33.209 9.528 1.421 1.00 12.00 O +ATOM 437 OD2 ASP A 53 34.910 8.151 1.410 1.00 21.97 O +ATOM 438 N LEU A 54 29.638 6.620 -0.616 1.00 7.75 N +ATOM 439 CA LEU A 54 28.838 5.619 -1.315 1.00 6.54 C +ATOM 440 C LEU A 54 29.145 5.627 -2.809 1.00 10.68 C +ATOM 441 O LEU A 54 29.351 6.683 -3.408 1.00 7.83 O +ATOM 442 CB LEU A 54 27.347 5.894 -1.113 1.00 3.57 C +ATOM 443 CG LEU A 54 26.373 4.906 -1.764 1.00 7.10 C +ATOM 444 CD1 LEU A 54 26.383 3.595 -0.983 1.00 7.58 C +ATOM 445 CD2 LEU A 54 24.974 5.497 -1.779 1.00 7.25 C +ATOM 446 N SER A 55 29.171 4.438 -3.399 1.00 3.83 N +ATOM 447 CA SER A 55 29.434 4.280 -4.821 1.00 3.58 C +ATOM 448 C SER A 55 28.761 2.999 -5.288 1.00 1.00 C +ATOM 449 O SER A 55 28.215 2.249 -4.482 1.00 1.00 O +ATOM 450 CB SER A 55 30.943 4.190 -5.082 1.00 3.07 C +ATOM 451 OG SER A 55 31.518 3.046 -4.467 1.00 7.96 O +ATOM 452 N PHE A 56 28.780 2.772 -6.594 1.00 4.73 N +ATOM 453 CA PHE A 56 28.215 1.561 -7.167 1.00 6.04 C +ATOM 454 C PHE A 56 29.061 1.178 -8.374 1.00 4.14 C +ATOM 455 O PHE A 56 29.697 2.034 -8.986 1.00 9.73 O +ATOM 456 CB PHE A 56 26.736 1.771 -7.555 1.00 2.12 C +ATOM 457 CG PHE A 56 26.507 2.815 -8.623 1.00 7.24 C +ATOM 458 CD1 PHE A 56 26.610 2.490 -9.973 1.00 8.10 C +ATOM 459 CD2 PHE A 56 26.157 4.117 -8.273 1.00 6.14 C +ATOM 460 CE1 PHE A 56 26.364 3.451 -10.964 1.00 5.87 C +ATOM 461 CE2 PHE A 56 25.910 5.085 -9.254 1.00 7.31 C +ATOM 462 CZ PHE A 56 26.014 4.749 -10.598 1.00 8.06 C +ATOM 463 N SER A 57 29.110 -0.113 -8.685 1.00 4.22 N +ATOM 464 CA SER A 57 29.869 -0.587 -9.840 1.00 6.27 C +ATOM 465 C SER A 57 28.783 -0.872 -10.866 1.00 11.84 C +ATOM 466 O SER A 57 28.460 -0.018 -11.692 1.00 13.56 O +ATOM 467 CB SER A 57 30.648 -1.859 -9.487 1.00 6.55 C +ATOM 468 OG SER A 57 29.799 -2.846 -8.934 1.00 6.78 O +ATOM 469 N LYS A 58 28.211 -2.068 -10.806 1.00 10.45 N +ATOM 470 CA LYS A 58 27.104 -2.404 -11.689 1.00 17.82 C +ATOM 471 C LYS A 58 25.965 -1.595 -11.071 1.00 26.11 C +ATOM 472 O LYS A 58 26.059 -1.192 -9.910 1.00 10.15 O +ATOM 473 CB LYS A 58 26.780 -3.898 -11.607 1.00 10.51 C +ATOM 474 CG LYS A 58 27.851 -4.815 -12.171 1.00 21.44 C +ATOM 475 CD LYS A 58 27.917 -4.712 -13.685 1.00 38.83 C +ATOM 476 CE LYS A 58 28.885 -5.728 -14.269 1.00 46.78 C +ATOM 477 NZ LYS A 58 28.902 -5.675 -15.758 1.00 39.56 N +ATOM 478 N ASP A 59 24.899 -1.348 -11.826 1.00 11.95 N +ATOM 479 CA ASP A 59 23.779 -0.578 -11.289 1.00 14.03 C +ATOM 480 C ASP A 59 23.150 -1.226 -10.059 1.00 18.01 C +ATOM 481 O ASP A 59 22.461 -0.562 -9.288 1.00 12.60 O +ATOM 482 CB ASP A 59 22.702 -0.376 -12.358 1.00 16.40 C +ATOM 483 CG ASP A 59 23.101 0.647 -13.403 1.00 21.20 C +ATOM 484 OD1 ASP A 59 24.138 1.317 -13.220 1.00 18.03 O +ATOM 485 OD2 ASP A 59 22.369 0.789 -14.404 1.00 20.81 O +ATOM 486 N TRP A 60 23.397 -2.519 -9.872 1.00 9.82 N +ATOM 487 CA TRP A 60 22.828 -3.247 -8.741 1.00 10.51 C +ATOM 488 C TRP A 60 23.852 -3.686 -7.697 1.00 19.63 C +ATOM 489 O TRP A 60 23.638 -4.672 -6.993 1.00 11.53 O +ATOM 490 CB TRP A 60 22.069 -4.474 -9.251 1.00 11.13 C +ATOM 491 CG TRP A 60 22.913 -5.342 -10.124 1.00 20.39 C +ATOM 492 CD1 TRP A 60 23.816 -6.285 -9.718 1.00 20.27 C +ATOM 493 CD2 TRP A 60 22.982 -5.309 -11.555 1.00 17.37 C +ATOM 494 NE1 TRP A 60 24.443 -6.840 -10.809 1.00 23.83 N +ATOM 495 CE2 TRP A 60 23.950 -6.259 -11.948 1.00 20.24 C +ATOM 496 CE3 TRP A 60 22.319 -4.568 -12.543 1.00 35.60 C +ATOM 497 CZ2 TRP A 60 24.274 -6.489 -13.292 1.00 34.58 C +ATOM 498 CZ3 TRP A 60 22.642 -4.796 -13.881 1.00 24.62 C +ATOM 499 CH2 TRP A 60 23.611 -5.750 -14.240 1.00 25.63 C +ATOM 500 N SER A 61 24.962 -2.964 -7.595 1.00 8.13 N +ATOM 501 CA SER A 61 25.981 -3.311 -6.608 1.00 4.93 C +ATOM 502 C SER A 61 26.527 -2.046 -5.958 1.00 7.18 C +ATOM 503 O SER A 61 27.233 -1.264 -6.599 1.00 5.07 O +ATOM 504 CB SER A 61 27.113 -4.098 -7.268 1.00 11.51 C +ATOM 505 OG SER A 61 28.052 -4.538 -6.301 1.00 12.98 O +ATOM 506 N PHE A 62 26.191 -1.850 -4.686 1.00 2.19 N +ATOM 507 CA PHE A 62 26.625 -0.666 -3.949 1.00 1.00 C +ATOM 508 C PHE A 62 27.747 -0.940 -2.961 1.00 11.73 C +ATOM 509 O PHE A 62 27.904 -2.060 -2.466 1.00 2.80 O +ATOM 510 CB PHE A 62 25.432 -0.040 -3.216 1.00 1.57 C +ATOM 511 CG PHE A 62 24.509 0.733 -4.116 1.00 4.35 C +ATOM 512 CD1 PHE A 62 24.560 2.126 -4.161 1.00 5.49 C +ATOM 513 CD2 PHE A 62 23.601 0.068 -4.937 1.00 4.91 C +ATOM 514 CE1 PHE A 62 23.716 2.847 -5.014 1.00 4.99 C +ATOM 515 CE2 PHE A 62 22.752 0.779 -5.795 1.00 9.82 C +ATOM 516 CZ PHE A 62 22.811 2.171 -5.832 1.00 4.73 C +ATOM 517 N TYR A 63 28.520 0.105 -2.682 1.00 3.81 N +ATOM 518 CA TYR A 63 29.650 0.026 -1.768 1.00 3.62 C +ATOM 519 C TYR A 63 29.659 1.254 -0.878 1.00 5.07 C +ATOM 520 O TYR A 63 29.472 2.372 -1.356 1.00 5.16 O +ATOM 521 CB TYR A 63 30.961 -0.026 -2.553 1.00 3.19 C +ATOM 522 CG TYR A 63 31.004 -1.157 -3.544 1.00 3.40 C +ATOM 523 CD1 TYR A 63 30.393 -1.038 -4.792 1.00 5.70 C +ATOM 524 CD2 TYR A 63 31.581 -2.381 -3.205 1.00 4.94 C +ATOM 525 CE1 TYR A 63 30.348 -2.109 -5.674 1.00 10.08 C +ATOM 526 CE2 TYR A 63 31.541 -3.460 -4.082 1.00 8.07 C +ATOM 527 CZ TYR A 63 30.922 -3.316 -5.312 1.00 11.23 C +ATOM 528 OH TYR A 63 30.863 -4.385 -6.175 1.00 12.27 O +ATOM 529 N LEU A 64 29.884 1.040 0.413 1.00 2.65 N +ATOM 530 CA LEU A 64 29.923 2.139 1.363 1.00 5.08 C +ATOM 531 C LEU A 64 31.127 2.041 2.278 1.00 4.51 C +ATOM 532 O LEU A 64 31.350 1.007 2.909 1.00 5.21 O +ATOM 533 CB LEU A 64 28.660 2.149 2.230 1.00 4.51 C +ATOM 534 CG LEU A 64 28.626 3.243 3.308 1.00 11.02 C +ATOM 535 CD1 LEU A 64 28.412 4.594 2.645 1.00 9.26 C +ATOM 536 CD2 LEU A 64 27.511 2.963 4.307 1.00 13.20 C +ATOM 537 N LEU A 65 31.913 3.113 2.332 1.00 3.06 N +ATOM 538 CA LEU A 65 33.057 3.170 3.228 1.00 3.25 C +ATOM 539 C LEU A 65 32.642 4.203 4.269 1.00 4.06 C +ATOM 540 O LEU A 65 32.461 5.384 3.955 1.00 7.34 O +ATOM 541 CB LEU A 65 34.326 3.629 2.508 1.00 8.39 C +ATOM 542 CG LEU A 65 35.561 3.626 3.420 1.00 5.46 C +ATOM 543 CD1 LEU A 65 35.807 2.214 3.939 1.00 6.67 C +ATOM 544 CD2 LEU A 65 36.778 4.133 2.657 1.00 8.20 C +ATOM 545 N TYR A 66 32.489 3.742 5.503 1.00 3.55 N +ATOM 546 CA TYR A 66 32.044 4.578 6.615 1.00 3.71 C +ATOM 547 C TYR A 66 33.165 4.597 7.643 1.00 2.41 C +ATOM 548 O TYR A 66 33.427 3.588 8.296 1.00 5.85 O +ATOM 549 CB TYR A 66 30.781 3.938 7.200 1.00 4.04 C +ATOM 550 CG TYR A 66 29.983 4.753 8.190 1.00 3.95 C +ATOM 551 CD1 TYR A 66 29.311 5.914 7.802 1.00 5.30 C +ATOM 552 CD2 TYR A 66 29.833 4.314 9.507 1.00 7.69 C +ATOM 553 CE1 TYR A 66 28.497 6.613 8.705 1.00 6.56 C +ATOM 554 CE2 TYR A 66 29.029 5.001 10.414 1.00 4.88 C +ATOM 555 CZ TYR A 66 28.363 6.146 10.010 1.00 6.19 C +ATOM 556 OH TYR A 66 27.563 6.812 10.914 1.00 7.58 O +ATOM 557 N TYR A 67 33.831 5.738 7.788 1.00 6.72 N +ATOM 558 CA TYR A 67 34.936 5.823 8.734 1.00 6.34 C +ATOM 559 C TYR A 67 35.095 7.183 9.396 1.00 4.91 C +ATOM 560 O TYR A 67 34.552 8.188 8.933 1.00 5.53 O +ATOM 561 CB TYR A 67 36.253 5.441 8.049 1.00 4.20 C +ATOM 562 CG TYR A 67 36.729 6.411 6.985 1.00 12.76 C +ATOM 563 CD1 TYR A 67 36.098 6.486 5.745 1.00 15.27 C +ATOM 564 CD2 TYR A 67 37.829 7.236 7.215 1.00 19.75 C +ATOM 565 CE1 TYR A 67 36.554 7.356 4.755 1.00 22.04 C +ATOM 566 CE2 TYR A 67 38.294 8.109 6.235 1.00 23.93 C +ATOM 567 CZ TYR A 67 37.652 8.163 5.007 1.00 26.37 C +ATOM 568 OH TYR A 67 38.111 9.019 4.034 1.00 37.65 O +ATOM 569 N THR A 68 35.857 7.202 10.483 1.00 9.12 N +ATOM 570 CA THR A 68 36.097 8.436 11.217 1.00 8.04 C +ATOM 571 C THR A 68 37.293 8.231 12.141 1.00 8.22 C +ATOM 572 O THR A 68 37.622 7.101 12.503 1.00 7.00 O +ATOM 573 CB THR A 68 34.849 8.830 12.046 1.00 8.78 C +ATOM 574 OG1 THR A 68 34.943 10.206 12.435 1.00 11.70 O +ATOM 575 CG2 THR A 68 34.735 7.963 13.293 1.00 12.99 C +ATOM 576 N GLU A 69 37.954 9.319 12.513 1.00 9.37 N +ATOM 577 CA GLU A 69 39.107 9.212 13.398 1.00 5.46 C +ATOM 578 C GLU A 69 38.702 8.777 14.803 1.00 7.38 C +ATOM 579 O GLU A 69 37.624 9.126 15.289 1.00 9.98 O +ATOM 580 CB GLU A 69 39.849 10.550 13.458 1.00 15.44 C +ATOM 581 CG GLU A 69 41.022 10.556 14.420 1.00 13.15 C +ATOM 582 CD GLU A 69 41.934 11.750 14.218 1.00 33.77 C +ATOM 583 OE1 GLU A 69 41.417 12.867 14.015 1.00 24.19 O +ATOM 584 OE2 GLU A 69 43.168 11.571 14.270 1.00 31.67 O +ATOM 585 N PHE A 70 39.564 7.997 15.447 1.00 11.87 N +ATOM 586 CA PHE A 70 39.300 7.533 16.802 1.00 11.80 C +ATOM 587 C PHE A 70 40.604 7.244 17.539 1.00 11.59 C +ATOM 588 O PHE A 70 41.674 7.211 16.933 1.00 10.86 O +ATOM 589 CB PHE A 70 38.384 6.291 16.776 1.00 14.57 C +ATOM 590 CG PHE A 70 39.082 4.990 16.438 1.00 5.27 C +ATOM 591 CD1 PHE A 70 40.043 4.921 15.431 1.00 5.75 C +ATOM 592 CD2 PHE A 70 38.730 3.817 17.103 1.00 6.50 C +ATOM 593 CE1 PHE A 70 40.641 3.696 15.093 1.00 4.61 C +ATOM 594 CE2 PHE A 70 39.319 2.590 16.773 1.00 7.89 C +ATOM 595 CZ PHE A 70 40.276 2.530 15.767 1.00 7.33 C +ATOM 596 N THR A 71 40.513 7.068 18.852 1.00 13.45 N +ATOM 597 CA THR A 71 41.687 6.777 19.669 1.00 11.87 C +ATOM 598 C THR A 71 41.351 5.581 20.549 1.00 13.46 C +ATOM 599 O THR A 71 40.923 5.739 21.692 1.00 17.90 O +ATOM 600 CB THR A 71 42.056 7.977 20.563 1.00 18.64 C +ATOM 601 OG1 THR A 71 42.242 9.141 19.748 1.00 21.59 O +ATOM 602 CG2 THR A 71 43.342 7.693 21.327 1.00 25.38 C +ATOM 603 N PRO A 72 41.544 4.363 20.023 1.00 12.19 N +ATOM 604 CA PRO A 72 41.255 3.130 20.755 1.00 12.94 C +ATOM 605 C PRO A 72 42.208 2.816 21.902 1.00 20.09 C +ATOM 606 O PRO A 72 43.391 3.158 21.861 1.00 19.67 O +ATOM 607 CB PRO A 72 41.314 2.069 19.662 1.00 12.20 C +ATOM 608 CG PRO A 72 42.415 2.578 18.790 1.00 13.35 C +ATOM 609 CD PRO A 72 42.084 4.060 18.683 1.00 18.66 C +ATOM 610 N THR A 73 41.666 2.170 22.927 1.00 21.27 N +ATOM 611 CA THR A 73 42.434 1.750 24.093 1.00 27.62 C +ATOM 612 C THR A 73 42.148 0.262 24.241 1.00 38.26 C +ATOM 613 O THR A 73 41.091 -0.210 23.823 1.00 28.33 O +ATOM 614 CB THR A 73 41.983 2.473 25.379 1.00 20.73 C +ATOM 615 OG1 THR A 73 40.606 2.175 25.639 1.00 31.75 O +ATOM 616 CG2 THR A 73 42.160 3.974 25.238 1.00 26.86 C +ATOM 617 N GLU A 74 43.082 -0.473 24.831 1.00 34.10 N +ATOM 618 CA GLU A 74 42.922 -1.912 25.011 1.00 45.54 C +ATOM 619 C GLU A 74 41.686 -2.298 25.823 1.00 45.08 C +ATOM 620 O GLU A 74 41.373 -3.482 25.952 1.00 57.55 O +ATOM 621 CB GLU A 74 44.171 -2.500 25.677 1.00 43.01 C +ATOM 622 CG GLU A 74 44.426 -2.007 27.098 1.00 49.19 C +ATOM 623 CD GLU A 74 44.703 -0.516 27.167 1.00 49.95 C +ATOM 624 OE1 GLU A 74 45.670 -0.059 26.520 1.00 63.53 O +ATOM 625 OE2 GLU A 74 43.955 0.198 27.869 1.00 60.78 O +ATOM 626 N LYS A 75 40.982 -1.307 26.362 1.00 30.90 N +ATOM 627 CA LYS A 75 39.795 -1.574 27.172 1.00 30.29 C +ATOM 628 C LYS A 75 38.474 -1.352 26.435 1.00 50.19 C +ATOM 629 O LYS A 75 37.436 -1.870 26.850 1.00 39.37 O +ATOM 630 CB LYS A 75 39.814 -0.708 28.435 1.00 47.27 C +ATOM 631 CG LYS A 75 39.728 0.787 28.165 1.00 47.62 C +ATOM 632 CD LYS A 75 39.702 1.585 29.459 1.00 51.59 C +ATOM 633 CE LYS A 75 39.617 3.079 29.186 1.00 41.70 C +ATOM 634 NZ LYS A 75 39.588 3.874 30.446 1.00 54.12 N +ATOM 635 N ASP A 76 38.507 -0.581 25.353 1.00 19.66 N +ATOM 636 CA ASP A 76 37.292 -0.309 24.590 1.00 21.26 C +ATOM 637 C ASP A 76 37.075 -1.305 23.461 1.00 18.77 C +ATOM 638 O ASP A 76 38.027 -1.836 22.889 1.00 28.57 O +ATOM 639 CB ASP A 76 37.323 1.109 24.015 1.00 23.25 C +ATOM 640 CG ASP A 76 37.270 2.177 25.091 1.00 24.64 C +ATOM 641 OD1 ASP A 76 36.329 2.148 25.911 1.00 38.03 O +ATOM 642 OD2 ASP A 76 38.166 3.046 25.117 1.00 36.63 O +ATOM 643 N GLU A 77 35.809 -1.554 23.147 1.00 22.34 N +ATOM 644 CA GLU A 77 35.452 -2.480 22.080 1.00 17.52 C +ATOM 645 C GLU A 77 34.765 -1.695 20.969 1.00 13.60 C +ATOM 646 O GLU A 77 33.863 -0.901 21.230 1.00 18.56 O +ATOM 647 CB GLU A 77 34.505 -3.562 22.608 1.00 24.73 C +ATOM 648 CG GLU A 77 33.188 -3.025 23.146 1.00 41.37 C +ATOM 649 CD GLU A 77 32.224 -4.124 23.551 1.00 67.90 C +ATOM 650 OE1 GLU A 77 31.860 -4.948 22.684 1.00 63.37 O +ATOM 651 OE2 GLU A 77 31.828 -4.163 24.736 1.00 59.31 O +ATOM 652 N TYR A 78 35.202 -1.911 19.734 1.00 13.98 N +ATOM 653 CA TYR A 78 34.611 -1.212 18.601 1.00 14.03 C +ATOM 654 C TYR A 78 33.980 -2.187 17.626 1.00 15.79 C +ATOM 655 O TYR A 78 34.438 -3.320 17.481 1.00 11.27 O +ATOM 656 CB TYR A 78 35.665 -0.366 17.888 1.00 10.14 C +ATOM 657 CG TYR A 78 36.156 0.787 18.729 1.00 12.31 C +ATOM 658 CD1 TYR A 78 37.192 0.618 19.647 1.00 15.50 C +ATOM 659 CD2 TYR A 78 35.561 2.043 18.628 1.00 9.82 C +ATOM 660 CE1 TYR A 78 37.625 1.677 20.443 1.00 12.39 C +ATOM 661 CE2 TYR A 78 35.985 3.106 19.419 1.00 13.95 C +ATOM 662 CZ TYR A 78 37.017 2.916 20.323 1.00 16.61 C +ATOM 663 OH TYR A 78 37.437 3.968 21.102 1.00 19.97 O +ATOM 664 N ALA A 79 32.924 -1.742 16.956 1.00 10.38 N +ATOM 665 CA ALA A 79 32.236 -2.595 16.005 1.00 5.71 C +ATOM 666 C ALA A 79 31.440 -1.783 15.000 1.00 9.11 C +ATOM 667 O ALA A 79 31.340 -0.560 15.105 1.00 7.95 O +ATOM 668 CB ALA A 79 31.306 -3.542 16.748 1.00 10.11 C +ATOM 669 N CYS A 80 30.881 -2.481 14.020 1.00 3.01 N +ATOM 670 CA CYS A 80 30.056 -1.850 13.002 1.00 2.94 C +ATOM 671 C CYS A 80 28.720 -2.581 12.994 1.00 6.16 C +ATOM 672 O CYS A 80 28.680 -3.811 12.967 1.00 6.81 O +ATOM 673 CB CYS A 80 30.702 -1.966 11.623 1.00 2.30 C +ATOM 674 SG CYS A 80 29.805 -1.039 10.340 1.00 9.99 S +ATOM 675 N ARG A 81 27.633 -1.819 13.035 1.00 3.33 N +ATOM 676 CA ARG A 81 26.292 -2.393 13.027 1.00 6.35 C +ATOM 677 C ARG A 81 25.601 -2.023 11.725 1.00 11.37 C +ATOM 678 O ARG A 81 25.519 -0.847 11.362 1.00 6.60 O +ATOM 679 CB ARG A 81 25.477 -1.866 14.200 1.00 2.81 C +ATOM 680 CG ARG A 81 24.107 -2.512 14.331 1.00 9.85 C +ATOM 681 CD ARG A 81 23.419 -2.022 15.592 1.00 12.92 C +ATOM 682 NE ARG A 81 23.234 -0.576 15.554 1.00 21.28 N +ATOM 683 CZ ARG A 81 23.074 0.187 16.629 1.00 33.72 C +ATOM 684 NH1 ARG A 81 23.078 -0.359 17.838 1.00 17.37 N +ATOM 685 NH2 ARG A 81 22.913 1.496 16.493 1.00 14.03 N +ATOM 686 N VAL A 82 25.092 -3.034 11.036 1.00 3.59 N +ATOM 687 CA VAL A 82 24.436 -2.824 9.757 1.00 4.31 C +ATOM 688 C VAL A 82 23.026 -3.392 9.720 1.00 12.60 C +ATOM 689 O VAL A 82 22.788 -4.509 10.179 1.00 6.01 O +ATOM 690 CB VAL A 82 25.254 -3.484 8.617 1.00 1.92 C +ATOM 691 CG1 VAL A 82 24.522 -3.352 7.296 1.00 1.00 C +ATOM 692 CG2 VAL A 82 26.634 -2.854 8.530 1.00 4.82 C +ATOM 693 N ASN A 83 22.097 -2.604 9.182 1.00 3.06 N +ATOM 694 CA ASN A 83 20.712 -3.034 9.019 1.00 1.00 C +ATOM 695 C ASN A 83 20.419 -2.936 7.528 1.00 5.48 C +ATOM 696 O ASN A 83 20.694 -1.912 6.900 1.00 5.43 O +ATOM 697 CB ASN A 83 19.751 -2.138 9.802 1.00 9.45 C +ATOM 698 CG ASN A 83 19.483 -2.655 11.201 1.00 42.89 C +ATOM 699 OD1 ASN A 83 19.012 -3.777 11.379 1.00 45.58 O +ATOM 700 ND2 ASN A 83 19.778 -1.836 12.201 1.00 48.44 N +ATOM 701 N HIS A 84 19.878 -4.012 6.965 1.00 3.33 N +ATOM 702 CA HIS A 84 19.564 -4.082 5.539 1.00 3.87 C +ATOM 703 C HIS A 84 18.375 -5.029 5.406 1.00 1.75 C +ATOM 704 O HIS A 84 18.128 -5.836 6.303 1.00 7.26 O +ATOM 705 CB HIS A 84 20.782 -4.630 4.778 1.00 1.37 C +ATOM 706 CG HIS A 84 20.676 -4.525 3.285 1.00 4.21 C +ATOM 707 ND1 HIS A 84 20.393 -5.608 2.480 1.00 4.42 N +ATOM 708 CD2 HIS A 84 20.835 -3.468 2.452 1.00 2.54 C +ATOM 709 CE1 HIS A 84 20.382 -5.223 1.215 1.00 2.70 C +ATOM 710 NE2 HIS A 84 20.648 -3.929 1.171 1.00 3.16 N +ATOM 711 N VAL A 85 17.637 -4.944 4.301 1.00 5.23 N +ATOM 712 CA VAL A 85 16.478 -5.815 4.138 1.00 3.12 C +ATOM 713 C VAL A 85 16.842 -7.293 4.107 1.00 7.77 C +ATOM 714 O VAL A 85 16.014 -8.145 4.443 1.00 5.95 O +ATOM 715 CB VAL A 85 15.661 -5.467 2.866 1.00 4.75 C +ATOM 716 CG1 VAL A 85 15.035 -4.093 3.021 1.00 15.15 C +ATOM 717 CG2 VAL A 85 16.547 -5.518 1.633 1.00 4.93 C +ATOM 718 N THR A 86 18.080 -7.594 3.726 1.00 2.64 N +ATOM 719 CA THR A 86 18.546 -8.981 3.655 1.00 3.75 C +ATOM 720 C THR A 86 18.923 -9.540 5.028 1.00 7.90 C +ATOM 721 O THR A 86 19.169 -10.736 5.165 1.00 2.51 O +ATOM 722 CB THR A 86 19.782 -9.119 2.732 1.00 7.67 C +ATOM 723 OG1 THR A 86 20.832 -8.260 3.204 1.00 4.86 O +ATOM 724 CG2 THR A 86 19.425 -8.742 1.291 1.00 6.02 C +ATOM 725 N LEU A 87 18.972 -8.673 6.036 1.00 5.57 N +ATOM 726 CA LEU A 87 19.329 -9.083 7.395 1.00 5.94 C +ATOM 727 C LEU A 87 18.116 -8.985 8.314 1.00 9.44 C +ATOM 728 O LEU A 87 17.663 -7.888 8.633 1.00 11.11 O +ATOM 729 CB LEU A 87 20.454 -8.189 7.929 1.00 4.30 C +ATOM 730 CG LEU A 87 21.739 -8.132 7.097 1.00 6.29 C +ATOM 731 CD1 LEU A 87 22.634 -6.997 7.587 1.00 6.37 C +ATOM 732 CD2 LEU A 87 22.459 -9.464 7.176 1.00 9.45 C +ATOM 733 N SER A 88 17.595 -10.133 8.741 1.00 5.89 N +ATOM 734 CA SER A 88 16.426 -10.159 9.616 1.00 5.64 C +ATOM 735 C SER A 88 16.715 -9.458 10.939 1.00 10.12 C +ATOM 736 O SER A 88 15.823 -8.872 11.551 1.00 12.66 O +ATOM 737 CB SER A 88 15.980 -11.603 9.866 1.00 7.46 C +ATOM 738 OG SER A 88 17.068 -12.416 10.262 1.00 9.86 O +ATOM 739 N GLN A 89 17.967 -9.524 11.371 1.00 7.50 N +ATOM 740 CA GLN A 89 18.398 -8.874 12.602 1.00 8.34 C +ATOM 741 C GLN A 89 19.626 -8.051 12.233 1.00 5.65 C +ATOM 742 O GLN A 89 20.384 -8.433 11.344 1.00 6.99 O +ATOM 743 CB GLN A 89 18.775 -9.916 13.661 1.00 14.53 C +ATOM 744 CG GLN A 89 17.632 -10.835 14.083 1.00 11.85 C +ATOM 745 CD GLN A 89 16.431 -10.073 14.615 1.00 40.36 C +ATOM 746 OE1 GLN A 89 16.560 -9.231 15.503 1.00 39.09 O +ATOM 747 NE2 GLN A 89 15.252 -10.372 14.075 1.00 35.40 N +ATOM 748 N PRO A 90 19.834 -6.903 12.897 1.00 10.49 N +ATOM 749 CA PRO A 90 21.015 -6.109 12.549 1.00 7.73 C +ATOM 750 C PRO A 90 22.282 -6.937 12.741 1.00 6.35 C +ATOM 751 O PRO A 90 22.387 -7.721 13.687 1.00 9.51 O +ATOM 752 CB PRO A 90 20.929 -4.920 13.507 1.00 15.01 C +ATOM 753 CG PRO A 90 20.204 -5.489 14.694 1.00 28.25 C +ATOM 754 CD PRO A 90 19.121 -6.316 14.044 1.00 16.04 C +ATOM 755 N LYS A 91 23.233 -6.778 11.832 1.00 5.83 N +ATOM 756 CA LYS A 91 24.476 -7.525 11.918 1.00 5.81 C +ATOM 757 C LYS A 91 25.553 -6.669 12.558 1.00 9.45 C +ATOM 758 O LYS A 91 25.778 -5.532 12.153 1.00 7.88 O +ATOM 759 CB LYS A 91 24.930 -7.977 10.529 1.00 8.26 C +ATOM 760 CG LYS A 91 26.185 -8.838 10.549 1.00 19.99 C +ATOM 761 CD LYS A 91 26.545 -9.366 9.166 1.00 27.33 C +ATOM 762 CE LYS A 91 25.486 -10.315 8.635 1.00 40.35 C +ATOM 763 NZ LYS A 91 25.884 -10.908 7.325 1.00 47.17 N +ATOM 764 N ILE A 92 26.206 -7.219 13.575 1.00 5.23 N +ATOM 765 CA ILE A 92 27.266 -6.499 14.262 1.00 5.94 C +ATOM 766 C ILE A 92 28.583 -7.217 14.034 1.00 10.29 C +ATOM 767 O ILE A 92 28.731 -8.389 14.378 1.00 11.31 O +ATOM 768 CB ILE A 92 26.996 -6.410 15.779 1.00 8.85 C +ATOM 769 CG1 ILE A 92 25.673 -5.683 16.028 1.00 11.75 C +ATOM 770 CG2 ILE A 92 28.142 -5.680 16.468 1.00 14.74 C +ATOM 771 CD1 ILE A 92 25.236 -5.667 17.474 1.00 16.55 C +ATOM 772 N VAL A 93 29.531 -6.514 13.425 1.00 8.10 N +ATOM 773 CA VAL A 93 30.845 -7.076 13.158 1.00 7.44 C +ATOM 774 C VAL A 93 31.826 -6.307 14.021 1.00 13.19 C +ATOM 775 O VAL A 93 31.963 -5.091 13.894 1.00 6.78 O +ATOM 776 CB VAL A 93 31.237 -6.923 11.673 1.00 6.34 C +ATOM 777 CG1 VAL A 93 32.647 -7.449 11.446 1.00 11.20 C +ATOM 778 CG2 VAL A 93 30.241 -7.679 10.795 1.00 12.33 C +ATOM 779 N LYS A 94 32.498 -7.020 14.915 1.00 14.66 N +ATOM 780 CA LYS A 94 33.455 -6.389 15.808 1.00 11.67 C +ATOM 781 C LYS A 94 34.761 -6.048 15.109 1.00 15.84 C +ATOM 782 O LYS A 94 35.133 -6.661 14.104 1.00 14.92 O +ATOM 783 CB LYS A 94 33.744 -7.306 17.002 1.00 20.51 C +ATOM 784 CG LYS A 94 32.535 -7.596 17.871 1.00 26.19 C +ATOM 785 CD LYS A 94 32.903 -8.495 19.042 1.00 41.19 C +ATOM 786 CE LYS A 94 31.704 -8.752 19.940 1.00 47.27 C +ATOM 787 NZ LYS A 94 32.056 -9.604 21.110 1.00 53.10 N +ATOM 788 N TRP A 95 35.446 -5.043 15.639 1.00 12.29 N +ATOM 789 CA TRP A 95 36.732 -4.642 15.104 1.00 13.40 C +ATOM 790 C TRP A 95 37.762 -5.496 15.825 1.00 20.26 C +ATOM 791 O TRP A 95 37.769 -5.566 17.056 1.00 27.16 O +ATOM 792 CB TRP A 95 37.002 -3.162 15.393 1.00 15.49 C +ATOM 793 CG TRP A 95 38.421 -2.749 15.145 1.00 11.27 C +ATOM 794 CD1 TRP A 95 39.126 -2.884 13.984 1.00 15.26 C +ATOM 795 CD2 TRP A 95 39.310 -2.132 16.086 1.00 14.99 C +ATOM 796 NE1 TRP A 95 40.399 -2.390 14.142 1.00 21.95 N +ATOM 797 CE2 TRP A 95 40.539 -1.922 15.423 1.00 14.68 C +ATOM 798 CE3 TRP A 95 39.186 -1.735 17.425 1.00 20.80 C +ATOM 799 CZ2 TRP A 95 41.640 -1.332 16.053 1.00 17.71 C +ATOM 800 CZ3 TRP A 95 40.283 -1.147 18.053 1.00 20.40 C +ATOM 801 CH2 TRP A 95 41.493 -0.953 17.364 1.00 12.57 C +ATOM 802 N ASP A 96 38.614 -6.161 15.056 1.00 19.31 N +ATOM 803 CA ASP A 96 39.659 -6.994 15.633 1.00 38.22 C +ATOM 804 C ASP A 96 40.954 -6.186 15.715 1.00 41.70 C +ATOM 805 O ASP A 96 41.881 -6.473 14.927 1.00 61.54 O +ATOM 806 CB ASP A 96 39.880 -8.243 14.780 1.00 35.17 C +ATOM 807 CG ASP A 96 40.806 -9.240 15.444 1.00 45.90 C +ATOM 808 OD1 ASP A 96 41.919 -8.840 15.843 1.00 33.75 O +ATOM 809 OD2 ASP A 96 40.421 -10.422 15.568 1.00 45.64 O +TER 810 ASP A 96 +HETATM 811 NA NA A 100 16.750 -5.880 8.209 1.00 15.25 NA +HETATM 812 O HOH A 101 27.570 5.718 13.490 1.00 8.12 O +HETATM 813 O HOH A 102 32.347 3.959 -1.793 1.00 10.51 O +HETATM 814 O HOH A 103 42.468 0.333 3.154 1.00 11.57 O +HETATM 815 O HOH A 104 17.601 -2.451 2.829 1.00 8.71 O +HETATM 816 O HOH A 105 33.179 -5.549 2.885 1.00 6.83 O +HETATM 817 O HOH A 106 14.609 -6.255 -1.884 1.00 10.37 O +HETATM 818 O HOH A 107 23.081 0.472 12.523 1.00 12.98 O +HETATM 819 O HOH A 108 21.490 -12.319 4.822 1.00 11.69 O +HETATM 820 O HOH A 109 21.395 4.660 13.135 1.00 20.47 O +HETATM 821 O HOH A 110 25.401 -9.832 14.751 1.00 15.91 O +HETATM 822 O HOH A 111 39.991 1.644 3.370 1.00 13.53 O +HETATM 823 O HOH A 112 19.068 -12.332 7.479 1.00 14.01 O +HETATM 824 O HOH A 113 40.222 3.908 4.778 1.00 15.93 O +HETATM 825 O HOH A 114 36.048 -7.258 9.945 1.00 14.12 O +HETATM 826 O HOH A 115 35.826 11.006 14.744 1.00 18.68 O +HETATM 827 O HOH A 116 31.011 -1.745 20.387 1.00 18.41 O +HETATM 828 O HOH A 117 43.587 9.292 16.111 1.00 10.88 O +HETATM 829 O HOH A 118 30.334 -10.080 6.018 1.00 16.94 O +HETATM 830 O HOH A 119 28.883 1.572 27.253 1.00 29.66 O +HETATM 831 O HOH A 120 33.766 10.336 16.272 1.00 16.67 O +HETATM 832 O HOH A 121 50.955 5.653 14.539 1.00 17.03 O +HETATM 833 O HOH A 122 26.881 0.787 -13.651 1.00 20.86 O +HETATM 834 O HOH A 123 15.888 -3.791 7.376 1.00 11.91 O +HETATM 835 O HOH A 124 19.819 -0.406 -8.460 1.00 10.92 O +HETATM 836 O HOH A 125 37.751 6.451 20.183 1.00 16.41 O +HETATM 837 O HOH A 126 34.269 2.202 -1.178 1.00 20.31 O +HETATM 838 O HOH A 127 19.996 -14.562 4.862 1.00 8.01 O +HETATM 839 O HOH A 128 31.157 10.896 -0.579 1.00 25.57 O +HETATM 840 O HOH A 129 14.565 -0.222 -1.948 1.00 18.80 O +HETATM 841 O HOH A 130 36.470 -3.957 -3.050 1.00 29.72 O +HETATM 842 O HOH A 131 19.538 -12.500 11.216 1.00 32.11 O +HETATM 843 O HOH A 132 32.004 7.777 -3.502 1.00 16.84 O +HETATM 844 O HOH A 133 29.484 10.108 -3.934 1.00 22.54 O +HETATM 845 O HOH A 134 16.375 -5.097 -7.770 1.00 17.93 O +HETATM 846 O HOH A 135 45.422 5.168 17.896 1.00 16.14 O +HETATM 847 O HOH A 136 32.649 -10.068 14.698 1.00 19.22 O +HETATM 848 O HOH A 137 29.286 -9.516 16.775 1.00 35.36 O +HETATM 849 O HOH A 138 15.083 -7.279 7.213 1.00 16.86 O +HETATM 850 O HOH A 139 22.162 -10.383 11.088 1.00 22.87 O +HETATM 851 O HOH A 140 28.815 9.376 -0.939 1.00 24.32 O +HETATM 852 O HOH A 141 15.320 -6.331 10.480 1.00 26.51 O +HETATM 853 O HOH A 142 36.311 -6.684 0.169 1.00 26.80 O +HETATM 854 O HOH A 143 14.799 -6.990 13.091 1.00 33.24 O +HETATM 855 O HOH A 144 50.529 3.062 15.371 1.00 28.25 O +HETATM 856 O HOH A 145 35.191 6.733 19.243 1.00 20.64 O +HETATM 857 O HOH A 146 23.225 -2.888 18.867 1.00 25.34 O +HETATM 858 O HOH A 147 22.940 -10.590 13.837 1.00 28.02 O +HETATM 859 O HOH A 148 35.179 8.202 17.073 1.00 27.22 O +HETATM 860 O HOH A 149 37.316 -3.828 19.446 1.00 15.87 O +HETATM 861 O HOH A 150 17.370 0.139 9.238 1.00 20.64 O +HETATM 862 O HOH A 151 15.745 -5.280 -4.415 1.00 20.45 O +HETATM 863 O HOH A 152 21.603 -12.254 9.269 1.00 39.10 O +HETATM 864 O HOH A 153 31.512 -5.149 -9.681 1.00 21.30 O +HETATM 865 O HOH A 154 23.353 -12.930 6.767 1.00 16.78 O +HETATM 866 O HOH A 155 38.981 4.672 23.177 1.00 31.98 O +HETATM 867 O HOH A 156 30.741 4.766 24.022 1.00 25.76 O +HETATM 868 O HOH A 157 47.348 0.711 15.003 1.00 31.26 O +HETATM 869 O HOH A 158 40.859 5.556 6.768 1.00 26.22 O +HETATM 870 O HOH A 159 24.920 -6.644 -5.622 1.00 28.49 O +HETATM 871 O HOH A 160 42.689 -3.341 11.282 1.00 13.20 O +HETATM 872 O HOH A 161 43.450 -4.282 8.872 1.00 16.03 O +HETATM 873 O HOH A 162 41.366 -5.599 12.248 1.00 28.32 O +HETATM 874 O HOH A 163 37.539 11.948 11.093 1.00 16.78 O +HETATM 875 O HOH A 164 30.470 11.076 18.503 1.00 24.84 O +HETATM 876 O HOH A 165 38.656 -6.463 7.908 1.00 24.11 O +HETATM 877 O HOH A 166 22.859 7.860 18.955 1.00 27.98 O +HETATM 878 O HOH A 167 19.483 -1.627 15.208 1.00 19.63 O +HETATM 879 O HOH A 168 34.233 -9.382 8.181 1.00 21.53 O +HETATM 880 O HOH A 169 28.970 9.577 20.204 1.00 24.25 O +HETATM 881 O HOH A 170 25.090 -2.159 -14.529 1.00 20.05 O +HETATM 882 O HOH A 171 53.044 11.300 9.946 1.00 28.11 O +HETATM 883 O HOH A 172 23.760 0.694 20.314 1.00 23.87 O +HETATM 884 O HOH A 173 36.689 3.227 -0.745 1.00 25.94 O +HETATM 885 O HOH A 174 13.143 -5.401 -10.333 1.00 26.51 O +HETATM 886 O HOH A 175 25.428 -8.920 5.666 1.00 22.87 O +HETATM 887 O HOH A 176 37.854 0.125 0.233 0.50 18.09 O +HETATM 888 O HOH A 177 51.471 12.069 12.709 1.00 32.91 O +HETATM 889 O HOH A 178 38.418 -6.752 12.554 1.00 25.99 O +HETATM 890 O HOH A 179 15.106 -1.805 0.979 1.00 15.92 O +HETATM 891 O HOH A 180 13.640 -4.196 -0.586 1.00 21.29 O +HETATM 892 O HOH A 181 31.574 11.766 3.560 1.00 27.86 O +HETATM 893 O HOH A 182 18.112 -0.216 6.606 1.00 29.48 O +HETATM 894 O HOH A 183 45.311 1.241 12.154 1.00 17.03 O +HETATM 895 O HOH A 184 27.210 7.357 23.936 1.00 29.09 O +HETATM 896 O HOH A 185 15.746 -4.442 12.629 1.00 28.14 O +HETATM 897 O HOH A 186 44.818 0.360 15.680 1.00 20.79 O +HETATM 898 O HOH A 187 45.295 8.001 17.691 1.00 36.02 O +HETATM 899 O HOH A 188 12.926 3.195 0.724 1.00 24.33 O +HETATM 900 O HOH A 189 16.405 -1.555 5.134 1.00 29.40 O +HETATM 901 O HOH A 190 37.111 9.954 18.786 1.00 34.22 O +HETATM 902 O HOH A 191 34.359 11.528 2.727 1.00 40.57 O +HETATM 903 O HOH A 192 42.172 -5.220 6.490 1.00 21.00 O +HETATM 904 O HOH A 193 32.443 4.036 26.249 1.00 42.07 O +HETATM 905 O HOH A 194 28.949 -10.732 12.970 1.00 34.78 O +HETATM 906 O HOH A 195 21.600 -4.764 17.572 1.00 35.35 O +HETATM 907 O HOH A 196 15.985 -7.726 -11.734 1.00 21.50 O +HETATM 908 O HOH A 197 26.970 -1.815 25.673 1.00 32.86 O +HETATM 909 O HOH A 198 22.124 -7.793 16.334 1.00 25.24 O +HETATM 910 O HOH A 199 25.284 6.901 21.278 1.00 27.03 O +HETATM 911 O HOH A 200 26.957 3.158 28.081 1.00 29.22 O +HETATM 912 O HOH A 201 28.369 11.465 2.295 1.00 35.05 O +HETATM 913 O HOH A 202 31.934 -6.634 -5.393 1.00 27.66 O +HETATM 914 O HOH A 203 18.470 -5.133 9.301 1.00 17.27 O +CONECT 211 674 +CONECT 674 211 +CONECT 704 811 +CONECT 728 811 +CONECT 811 704 728 834 849 +CONECT 811 852 914 +CONECT 834 811 +CONECT 849 811 +CONECT 852 811 +CONECT 914 811 +MASTER 266 0 1 1 8 0 2 6 913 1 10 8 +END diff --git a/tests/protein_ligand/test_data/3v1w.pdb b/tests/protein_ligand/test_data/3v1w.pdb new file mode 100644 index 000000000..863569a79 --- /dev/null +++ b/tests/protein_ligand/test_data/3v1w.pdb @@ -0,0 +1,4072 @@ +HEADER CALCIUM BINDING PROTEIN 10-DEC-11 3V1W +TITLE MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN AND +TITLE 2 POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: CALSEQUESTRIN-1; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: ASPARTACTIN, CALSEQUESTRIN, SKELETAL MUSCLE ISOFORM, +COMPND 5 LAMININ-BINDING PROTEIN +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; +SOURCE 3 ORGANISM_COMMON: EUROPEAN RABBIT,JAPANESE WHITE RABBIT,DOMESTIC +SOURCE 4 RABBIT,RABBITS; +SOURCE 5 ORGANISM_TAXID: 9986 +KEYWDS THIOREDOXIN FOLD, CALCIUM BINDING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,A.K.MURALIDHARAN, +AUTHOR 2 C.KANG +REVDAT 2 29-JUL-20 3V1W 1 COMPND REMARK HETNAM LINK +REVDAT 2 2 1 SITE ATOM +REVDAT 1 12-DEC-12 3V1W 0 +JRNL AUTH A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ, +JRNL AUTH 2 A.K.MURALIDHARAN,C.KANG +JRNL TITL MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN +JRNL TITL 2 AND POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.91 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.1_357) +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.91 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.95 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.160 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.6 +REMARK 3 NUMBER OF REFLECTIONS : 36846 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.174 +REMARK 3 R VALUE (WORKING SET) : 0.171 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.380 +REMARK 3 FREE R VALUE TEST SET COUNT : 1981 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 38.9578 - 4.5963 0.99 2671 153 0.1727 0.2257 +REMARK 3 2 4.5963 - 3.6491 1.00 2574 145 0.1469 0.1773 +REMARK 3 3 3.6491 - 3.1880 1.00 2530 145 0.1517 0.2024 +REMARK 3 4 3.1880 - 2.8967 1.00 2531 144 0.1805 0.1953 +REMARK 3 5 2.8967 - 2.6891 1.00 2512 142 0.1880 0.2614 +REMARK 3 6 2.6891 - 2.5306 0.99 2509 142 0.1832 0.2462 +REMARK 3 7 2.5306 - 2.4039 0.99 2506 142 0.1870 0.2492 +REMARK 3 8 2.4039 - 2.2992 0.99 2464 141 0.1707 0.2306 +REMARK 3 9 2.2992 - 2.2107 0.99 2469 140 0.1799 0.2392 +REMARK 3 10 2.2107 - 2.1345 0.98 2465 139 0.1673 0.2579 +REMARK 3 11 2.1345 - 2.0677 0.99 2465 140 0.1730 0.2388 +REMARK 3 12 2.0677 - 2.0086 0.98 2443 139 0.1695 0.2721 +REMARK 3 13 2.0086 - 1.9557 0.98 2442 138 0.1840 0.2291 +REMARK 3 14 1.9557 - 1.9080 0.92 2284 131 0.1795 0.2529 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : 0.33 +REMARK 3 B_SOL : 42.83 +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.240 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.040 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -3.99850 +REMARK 3 B22 (A**2) : 1.32850 +REMARK 3 B33 (A**2) : 2.67000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.014 3018 +REMARK 3 ANGLE : 1.122 4139 +REMARK 3 CHIRALITY : 0.082 443 +REMARK 3 PLANARITY : 0.005 536 +REMARK 3 DIHEDRAL : 16.311 1128 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 3V1W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-12. +REMARK 100 THE DEPOSITION ID IS D_1000069490. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 8.2.1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 36850 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.908 +REMARK 200 RESOLUTION RANGE LOW (A) : 44.015 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: PDB ENTRY 3TRQ +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 55.92 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -X,Y,-Z+1/2 +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.48250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 55.48250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 29.54100 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 72.29600 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 29.54100 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 72.29600 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 55.48250 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 29.54100 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 72.29600 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 55.48250 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 29.54100 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 72.29600 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 9120 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 34060 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -195.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 59.08200 +REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 166.44750 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLU A 1 +REMARK 465 ILE A 351 +REMARK 465 ASN A 352 +REMARK 465 THR A 353 +REMARK 465 GLU A 354 +REMARK 465 ASP A 355 +REMARK 465 ASP A 356 +REMARK 465 ASP A 357 +REMARK 465 ASP A 358 +REMARK 465 GLU A 359 +REMARK 465 ASP A 360 +REMARK 465 ASP A 361 +REMARK 465 ASP A 362 +REMARK 465 ASP A 363 +REMARK 465 ASP A 364 +REMARK 465 ASP A 365 +REMARK 465 ASP A 366 +REMARK 465 ASP A 367 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 GLU A 2 CG CD OE1 OE2 +REMARK 470 GLU A 350 CG CD OE1 OE2 +REMARK 480 +REMARK 480 ZERO OCCUPANCY ATOM +REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 480 M RES C SSEQI ATOMS +REMARK 480 GLU A 348 CD +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OE2 GLU A 52 OE2 GLU A 52 3656 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 GLU A 78 -64.58 -103.97 +REMARK 500 GLU A 100 -115.64 50.81 +REMARK 500 ASP A 210 34.34 70.53 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 406 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASN A 17 OD1 +REMARK 620 2 VAL A 18 O 110.2 +REMARK 620 3 LEU A 74 O 123.3 88.7 +REMARK 620 4 ASP A 80 OD2 118.2 82.5 116.9 +REMARK 620 5 HOH A 501 O 76.8 172.7 88.8 92.5 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 410 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 PRO A 172 O +REMARK 620 2 HOH A 856 O 83.2 +REMARK 620 3 HOH A 865 O 95.4 102.2 +REMARK 620 4 HOH A 874 O 160.2 78.2 81.9 +REMARK 620 5 HOH A 924 O 98.0 77.1 166.3 84.5 +REMARK 620 6 HOH A1007 O 114.5 159.5 86.8 85.0 89.9 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 408 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 THR A 189 O +REMARK 620 2 THR A 189 OG1 68.5 +REMARK 620 3 HOH A 520 O 89.6 128.8 +REMARK 620 4 HOH A 581 O 130.7 80.2 81.3 +REMARK 620 5 HOH A 621 O 65.7 125.4 78.8 154.1 +REMARK 620 6 HOH A 876 O 117.5 100.0 130.7 104.3 77.1 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 407 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 199 OE1 +REMARK 620 2 GLU A 199 OE2 53.5 +REMARK 620 3 THR A 229 OG1 131.4 77.9 +REMARK 620 4 THR A 277 OG1 81.1 94.4 103.2 +REMARK 620 5 THR A 277 O 139.9 160.3 86.6 77.1 +REMARK 620 6 HOH A 731 O 83.0 133.0 142.6 95.6 66.3 +REMARK 620 7 HOH A 875 O 99.0 107.4 96.8 153.1 86.4 57.9 +REMARK 620 N 1 2 3 4 5 6 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 409 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 210 O +REMARK 620 2 PRO A 212 O 81.7 +REMARK 620 3 GLU A 217 OE1 113.4 95.2 +REMARK 620 4 GLU A 217 OE2 117.3 143.6 49.5 +REMARK 620 5 HOH A 660 O 158.3 80.2 80.2 84.3 +REMARK 620 6 HOH A 943 O 100.9 154.7 106.5 57.0 90.5 +REMARK 620 7 HOH A1008 O 83.6 82.8 162.5 127.5 82.4 72.6 +REMARK 620 N 1 2 3 4 5 6 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 411 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLY A 248 O +REMARK 620 2 ASN A 316 OD1 76.1 +REMARK 620 3 THR A 318 OG1 132.4 75.7 +REMARK 620 4 HOH A1009 O 120.7 116.6 106.1 +REMARK 620 N 1 2 3 +DBREF 3V1W A 1 367 UNP P07221 CASQ1_RABIT 29 395 +SEQRES 1 A 367 GLU GLU GLY LEU ASP PHE PRO GLU TYR ASP GLY VAL ASP +SEQRES 2 A 367 ARG VAL ILE ASN VAL ASN ALA LYS ASN TYR LYS ASN VAL +SEQRES 3 A 367 PHE LYS LYS TYR GLU VAL LEU ALA LEU LEU TYR HIS GLU +SEQRES 4 A 367 PRO PRO GLU ASP ASP LYS ALA SER GLN ARG GLN PHE GLU +SEQRES 5 A 367 MET GLU GLU LEU ILE LEU GLU LEU ALA ALA GLN VAL LEU +SEQRES 6 A 367 GLU ASP LYS GLY VAL GLY PHE GLY LEU VAL ASP SER GLU +SEQRES 7 A 367 LYS ASP ALA ALA VAL ALA LYS LYS LEU GLY LEU THR GLU +SEQRES 8 A 367 GLU ASP SER ILE TYR VAL PHE LYS GLU ASP GLU VAL ILE +SEQRES 9 A 367 GLU TYR ASP GLY GLU PHE SER ALA ASP THR LEU VAL GLU +SEQRES 10 A 367 PHE LEU LEU ASP VAL LEU GLU ASP PRO VAL GLU LEU ILE +SEQRES 11 A 367 GLU GLY GLU ARG GLU LEU GLN ALA PHE GLU ASN ILE GLU +SEQRES 12 A 367 ASP GLU ILE LYS LEU ILE GLY TYR PHE LYS ASN LYS ASP +SEQRES 13 A 367 SER GLU HIS TYR LYS ALA PHE LYS GLU ALA ALA GLU GLU +SEQRES 14 A 367 PHE HIS PRO TYR ILE PRO PHE PHE ALA THR PHE ASP SER +SEQRES 15 A 367 LYS VAL ALA LYS LYS LEU THR LEU LYS LEU ASN GLU ILE +SEQRES 16 A 367 ASP PHE TYR GLU ALA PHE MET GLU GLU PRO VAL THR ILE +SEQRES 17 A 367 PRO ASP LYS PRO ASN SER GLU GLU GLU ILE VAL ASN PHE +SEQRES 18 A 367 VAL GLU GLU HIS ARG ARG SER THR LEU ARG LYS LEU LYS +SEQRES 19 A 367 PRO GLU SER MET TYR GLU THR TRP GLU ASP ASP MET ASP +SEQRES 20 A 367 GLY ILE HIS ILE VAL ALA PHE ALA GLU GLU ALA ASP PRO +SEQRES 21 A 367 ASP GLY TYR GLU PHE LEU GLU ILE LEU LYS SER VAL ALA +SEQRES 22 A 367 GLN ASP ASN THR ASP ASN PRO ASP LEU SER ILE ILE TRP +SEQRES 23 A 367 ILE ASP PRO ASP ASP PHE PRO LEU LEU VAL PRO TYR TRP +SEQRES 24 A 367 GLU LYS THR PHE ASP ILE ASP LEU SER ALA PRO GLN ILE +SEQRES 25 A 367 GLY VAL VAL ASN VAL THR ASP ALA ASP SER VAL TRP MET +SEQRES 26 A 367 GLU MET ASP ASP GLU GLU ASP LEU PRO SER ALA GLU GLU +SEQRES 27 A 367 LEU GLU ASP TRP LEU GLU ASP VAL LEU GLU GLY GLU ILE +SEQRES 28 A 367 ASN THR GLU ASP ASP ASP ASP GLU ASP ASP ASP ASP ASP +SEQRES 29 A 367 ASP ASP ASP +MODRES 3V1W ASN A 316 ASN GLYCOSYLATION SITE +HET NAG B 1 14 +HET NAG B 2 14 +HET MPD A 403 8 +HET MPD A 404 8 +HET MRD A 405 8 +HET CA A 406 1 +HET CA A 407 1 +HET CA A 408 1 +HET CA A 409 1 +HET NA A 410 1 +HET NA A 411 1 +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL +HETNAM MRD (4R)-2-METHYLPENTANE-2,4-DIOL +HETNAM CA CALCIUM ION +HETNAM NA SODIUM ION +FORMUL 2 NAG 2(C8 H15 N O6) +FORMUL 3 MPD 2(C6 H14 O2) +FORMUL 5 MRD C6 H14 O2 +FORMUL 6 CA 4(CA 2+) +FORMUL 10 NA 2(NA 1+) +FORMUL 12 HOH *514(H2 O) +HELIX 1 1 ASN A 22 TYR A 30 1 9 +HELIX 2 2 ASP A 44 LEU A 65 1 22 +HELIX 3 3 ASP A 80 GLY A 88 1 9 +HELIX 4 4 SER A 111 GLU A 124 1 14 +HELIX 5 5 GLY A 132 ILE A 142 1 11 +HELIX 6 6 SER A 157 HIS A 171 1 15 +HELIX 7 7 ASP A 181 THR A 189 1 9 +HELIX 8 8 SER A 214 HIS A 225 1 12 +HELIX 9 9 LYS A 234 GLU A 236 5 3 +HELIX 10 10 SER A 237 ASP A 244 1 8 +HELIX 11 11 ASP A 259 ASN A 276 1 18 +HELIX 12 12 ASP A 288 PHE A 292 5 5 +HELIX 13 13 LEU A 295 ASP A 304 1 10 +HELIX 14 14 SER A 335 GLU A 350 1 16 +SHEET 1 A 5 ILE A 16 ASN A 17 0 +SHEET 2 A 5 VAL A 70 ASP A 76 1 O PHE A 72 N ILE A 16 +SHEET 3 A 5 VAL A 32 HIS A 38 1 N LEU A 36 O VAL A 75 +SHEET 4 A 5 SER A 94 LYS A 99 -1 O TYR A 96 N LEU A 35 +SHEET 5 A 5 GLU A 102 GLU A 105 -1 O ILE A 104 N VAL A 97 +SHEET 1 B 5 VAL A 127 LEU A 129 0 +SHEET 2 B 5 PHE A 176 THR A 179 1 O PHE A 176 N GLU A 128 +SHEET 3 B 5 LYS A 147 TYR A 151 1 N LEU A 148 O PHE A 177 +SHEET 4 B 5 ILE A 195 TYR A 198 -1 O TYR A 198 N LYS A 147 +SHEET 5 B 5 VAL A 206 THR A 207 -1 O VAL A 206 N PHE A 197 +SHEET 1 C 5 LEU A 230 LYS A 232 0 +SHEET 2 C 5 ILE A 284 ILE A 287 1 O TRP A 286 N ARG A 231 +SHEET 3 C 5 ILE A 249 PHE A 254 1 N ALA A 253 O ILE A 287 +SHEET 4 C 5 GLN A 311 ASN A 316 -1 O VAL A 315 N HIS A 250 +SHEET 5 C 5 SER A 322 TRP A 324 -1 O VAL A 323 N VAL A 314 +LINK ND2 ASN A 316 C1 NAG B 1 1555 1555 1.41 +LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.44 +LINK OD1 ASN A 17 CA CA A 406 1555 1555 2.30 +LINK O VAL A 18 CA CA A 406 1555 1555 2.50 +LINK O LEU A 74 CA CA A 406 1555 1555 2.46 +LINK OD2 ASP A 80 CA CA A 406 1555 1555 2.47 +LINK O PRO A 172 NA NA A 410 1555 1555 2.15 +LINK O THR A 189 CA CA A 408 1555 1555 2.23 +LINK OG1 THR A 189 CA CA A 408 1555 1555 2.57 +LINK OE1 GLU A 199 CA CA A 407 1555 1555 2.43 +LINK OE2 GLU A 199 CA CA A 407 1555 1555 2.45 +LINK O ASP A 210 CA CA A 409 1555 1555 2.36 +LINK O PRO A 212 CA CA A 409 1555 1555 2.40 +LINK OE1 GLU A 217 CA CA A 409 1555 1555 2.44 +LINK OE2 GLU A 217 CA CA A 409 1555 1555 2.71 +LINK OG1 THR A 229 CA CA A 407 1555 1555 2.41 +LINK O GLY A 248 NA NA A 411 1555 1555 3.16 +LINK OG1 THR A 277 CA CA A 407 1555 1555 2.36 +LINK O THR A 277 CA CA A 407 1555 1555 2.49 +LINK OD1 ASN A 316 NA NA A 411 1555 1555 3.03 +LINK OG1 THR A 318 NA NA A 411 1555 1555 2.45 +LINK CA CA A 406 O HOH A 501 1555 1555 2.56 +LINK CA CA A 407 O HOH A 731 1555 1555 3.12 +LINK CA CA A 407 O HOH A 875 1555 1555 2.35 +LINK CA CA A 408 O HOH A 520 1555 1555 2.36 +LINK CA CA A 408 O HOH A 581 1555 1555 2.40 +LINK CA CA A 408 O HOH A 621 1555 1555 2.93 +LINK CA CA A 408 O HOH A 876 1555 1555 2.35 +LINK CA CA A 409 O HOH A 660 1555 1555 2.41 +LINK CA CA A 409 O HOH A 943 1555 1555 2.26 +LINK CA CA A 409 O HOH A1008 1555 1555 2.34 +LINK NA NA A 410 O HOH A 856 1555 1555 2.47 +LINK NA NA A 410 O HOH A 865 1555 1555 2.41 +LINK NA NA A 410 O HOH A 874 1555 1555 2.47 +LINK NA NA A 410 O HOH A 924 1555 1555 2.37 +LINK NA NA A 410 O HOH A1007 1555 1555 2.32 +LINK NA NA A 411 O HOH A1009 1555 1555 2.38 +CISPEP 1 HIS A 171 PRO A 172 0 -2.19 +CISPEP 2 LYS A 211 PRO A 212 0 -3.70 +CRYST1 59.082 144.592 110.965 90.00 90.00 90.00 C 2 2 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.016926 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006916 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009012 0.00000 +ATOM 1 N GLU A 2 37.639 75.551 57.223 1.00 54.70 N +ATOM 2 CA GLU A 2 38.473 74.425 57.631 0.42 55.84 C +ATOM 3 C GLU A 2 39.565 74.865 58.605 0.65 48.57 C +ATOM 4 O GLU A 2 40.621 74.236 58.696 1.00 60.89 O +ATOM 5 CB GLU A 2 39.102 73.751 56.407 1.00 56.73 C +ATOM 6 N GLY A 3 39.304 75.945 59.333 0.89 49.01 N +ATOM 7 CA GLY A 3 40.287 76.499 60.247 0.89 38.62 C +ATOM 8 C GLY A 3 40.499 75.680 61.513 0.89 41.18 C +ATOM 9 O GLY A 3 39.804 74.698 61.764 0.89 34.39 O +ATOM 10 N LEU A 4 41.477 76.095 62.309 1.00 32.39 N +ATOM 11 CA LEU A 4 41.758 75.475 63.596 1.00 36.71 C +ATOM 12 C LEU A 4 40.543 75.611 64.522 1.00 40.40 C +ATOM 13 O LEU A 4 39.932 76.677 64.591 1.00 39.19 O +ATOM 14 CB LEU A 4 42.986 76.149 64.219 1.00 30.34 C +ATOM 15 CG LEU A 4 43.604 75.540 65.471 1.00 41.72 C +ATOM 16 CD1 LEU A 4 44.181 74.170 65.155 1.00 53.66 C +ATOM 17 CD2 LEU A 4 44.679 76.452 66.002 1.00 39.62 C +ATOM 18 N ASP A 5 40.190 74.531 65.219 1.00 37.30 N +ATOM 19 CA ASP A 5 39.069 74.542 66.162 1.00 41.69 C +ATOM 20 C ASP A 5 39.413 75.394 67.383 1.00 37.37 C +ATOM 21 O ASP A 5 40.587 75.478 67.761 1.00 33.21 O +ATOM 22 CB ASP A 5 38.763 73.119 66.660 1.00 39.31 C +ATOM 23 CG ASP A 5 38.118 72.232 65.598 1.00 49.82 C +ATOM 24 OD1 ASP A 5 37.320 72.733 64.772 1.00 43.53 O +ATOM 25 OD2 ASP A 5 38.402 71.016 65.611 1.00 43.79 O +ATOM 26 N PHE A 6 38.399 76.004 68.005 1.00 35.06 N +ATOM 27 CA PHE A 6 38.567 76.577 69.342 1.00 29.88 C +ATOM 28 C PHE A 6 38.984 75.443 70.262 1.00 32.27 C +ATOM 29 O PHE A 6 38.686 74.280 69.981 1.00 28.18 O +ATOM 30 CB PHE A 6 37.248 77.154 69.877 1.00 24.56 C +ATOM 31 CG PHE A 6 36.982 78.573 69.470 1.00 34.87 C +ATOM 32 CD1 PHE A 6 37.366 79.626 70.285 1.00 31.20 C +ATOM 33 CD2 PHE A 6 36.329 78.859 68.279 1.00 37.95 C +ATOM 34 CE1 PHE A 6 37.119 80.937 69.914 1.00 30.63 C +ATOM 35 CE2 PHE A 6 36.078 80.171 67.903 1.00 33.30 C +ATOM 36 CZ PHE A 6 36.468 81.209 68.719 1.00 29.24 C +ATOM 37 N PRO A 7 39.664 75.765 71.372 1.00 35.08 N +ATOM 38 CA PRO A 7 39.974 74.703 72.339 1.00 27.70 C +ATOM 39 C PRO A 7 38.678 73.993 72.742 1.00 26.45 C +ATOM 40 O PRO A 7 37.616 74.601 72.730 1.00 28.59 O +ATOM 41 CB PRO A 7 40.542 75.478 73.536 1.00 33.04 C +ATOM 42 CG PRO A 7 41.066 76.756 72.945 1.00 29.03 C +ATOM 43 CD PRO A 7 40.140 77.088 71.814 1.00 30.08 C +ATOM 44 N GLU A 8 38.757 72.712 73.076 1.00 25.95 N +ATOM 45 CA GLU A 8 37.583 71.984 73.521 1.00 22.30 C +ATOM 46 C GLU A 8 38.026 71.040 74.629 1.00 23.17 C +ATOM 47 O GLU A 8 39.176 70.616 74.654 1.00 23.58 O +ATOM 48 CB GLU A 8 37.004 71.153 72.377 1.00 21.41 C +ATOM 49 CG GLU A 8 37.943 70.040 71.919 1.00 26.79 C +ATOM 50 CD GLU A 8 37.375 69.196 70.779 1.00 40.03 C +ATOM 51 OE1 GLU A 8 36.327 69.574 70.206 1.00 30.90 O +ATOM 52 OE2 GLU A 8 37.982 68.146 70.468 1.00 35.35 O +ATOM 53 N TYR A 9 37.113 70.705 75.530 1.00 18.38 N +ATOM 54 CA TYR A 9 37.375 69.628 76.480 1.00 18.85 C +ATOM 55 C TYR A 9 37.785 68.364 75.715 1.00 19.35 C +ATOM 56 O TYR A 9 37.071 67.930 74.819 1.00 23.04 O +ATOM 57 CB TYR A 9 36.118 69.351 77.301 1.00 21.66 C +ATOM 58 CG TYR A 9 36.205 68.096 78.136 1.00 18.11 C +ATOM 59 CD1 TYR A 9 37.204 67.934 79.085 1.00 18.11 C +ATOM 60 CD2 TYR A 9 35.265 67.082 77.993 1.00 20.59 C +ATOM 61 CE1 TYR A 9 37.276 66.783 79.852 1.00 18.67 C +ATOM 62 CE2 TYR A 9 35.318 65.937 78.768 1.00 18.49 C +ATOM 63 CZ TYR A 9 36.332 65.789 79.685 1.00 23.08 C +ATOM 64 OH TYR A 9 36.390 64.639 80.439 1.00 22.27 O +ATOM 65 N ASP A 10 38.919 67.774 76.072 1.00 22.25 N +ATOM 66 CA ASP A 10 39.477 66.669 75.277 1.00 21.81 C +ATOM 67 C ASP A 10 39.169 65.276 75.816 1.00 27.16 C +ATOM 68 O ASP A 10 39.585 64.287 75.229 1.00 25.44 O +ATOM 69 CB ASP A 10 40.985 66.832 75.073 1.00 23.77 C +ATOM 70 CG ASP A 10 41.778 66.765 76.383 1.00 25.33 C +ATOM 71 OD1 ASP A 10 41.201 66.461 77.450 1.00 22.44 O +ATOM 72 OD2 ASP A 10 42.998 67.002 76.337 1.00 23.12 O +ATOM 73 N GLY A 11 38.431 65.196 76.921 1.00 21.88 N +ATOM 74 CA GLY A 11 38.067 63.907 77.486 1.00 23.37 C +ATOM 75 C GLY A 11 39.220 63.125 78.098 1.00 20.79 C +ATOM 76 O GLY A 11 39.083 61.941 78.407 1.00 26.05 O +ATOM 77 N VAL A 12 40.354 63.779 78.302 1.00 22.52 N +ATOM 78 CA VAL A 12 41.487 63.107 78.932 1.00 22.73 C +ATOM 79 C VAL A 12 41.449 63.330 80.440 1.00 28.29 C +ATOM 80 O VAL A 12 41.314 64.464 80.897 1.00 25.04 O +ATOM 81 CB VAL A 12 42.804 63.602 78.335 1.00 25.65 C +ATOM 82 CG1 VAL A 12 44.008 63.095 79.142 1.00 30.12 C +ATOM 83 CG2 VAL A 12 42.904 63.183 76.861 1.00 31.60 C +ATOM 84 N ASP A 13 41.543 62.256 81.220 1.00 23.68 N +ATOM 85 CA ASP A 13 41.454 62.396 82.678 1.00 26.11 C +ATOM 86 C ASP A 13 42.714 62.954 83.329 1.00 27.05 C +ATOM 87 O ASP A 13 43.822 62.512 83.050 1.00 23.89 O +ATOM 88 CB ASP A 13 41.030 61.095 83.340 1.00 27.77 C +ATOM 89 CG ASP A 13 39.599 60.745 83.031 1.00 32.83 C +ATOM 90 OD1 ASP A 13 38.876 61.605 82.471 1.00 30.85 O +ATOM 91 OD2 ASP A 13 39.188 59.616 83.351 1.00 29.38 O +ATOM 92 N ARG A 14 42.514 63.943 84.193 1.00 17.94 N +ATOM 93 CA ARG A 14 43.587 64.704 84.806 1.00 20.32 C +ATOM 94 C ARG A 14 43.381 64.806 86.310 1.00 21.80 C +ATOM 95 O ARG A 14 44.310 65.096 87.051 1.00 22.85 O +ATOM 96 CB ARG A 14 43.647 66.127 84.233 1.00 21.24 C +ATOM 97 CG ARG A 14 44.023 66.225 82.764 1.00 22.26 C +ATOM 98 CD ARG A 14 44.042 67.675 82.309 1.00 24.08 C +ATOM 99 NE ARG A 14 44.529 67.790 80.942 1.00 24.58 N +ATOM 100 CZ ARG A 14 43.806 67.552 79.851 1.00 24.06 C +ATOM 101 NH1 ARG A 14 42.537 67.191 79.951 1.00 20.60 N +ATOM 102 NH2 ARG A 14 44.368 67.674 78.644 1.00 24.11 N +ATOM 103 N VAL A 15 42.150 64.603 86.753 1.00 21.96 N +ATOM 104 CA VAL A 15 41.848 64.688 88.171 1.00 21.05 C +ATOM 105 C VAL A 15 42.413 63.443 88.851 1.00 24.75 C +ATOM 106 O VAL A 15 42.123 62.325 88.443 1.00 20.76 O +ATOM 107 CB VAL A 15 40.346 64.791 88.397 1.00 18.80 C +ATOM 108 CG1 VAL A 15 40.019 64.799 89.889 1.00 23.91 C +ATOM 109 CG2 VAL A 15 39.805 66.061 87.689 1.00 17.92 C +ATOM 110 N ILE A 16 43.222 63.660 89.876 1.00 21.00 N +ATOM 111 CA ILE A 16 43.966 62.584 90.528 1.00 24.15 C +ATOM 112 C ILE A 16 43.185 61.952 91.660 1.00 24.08 C +ATOM 113 O ILE A 16 42.602 62.644 92.489 1.00 22.69 O +ATOM 114 CB ILE A 16 45.267 63.119 91.118 1.00 23.72 C +ATOM 115 CG1 ILE A 16 46.169 63.670 90.021 1.00 23.99 C +ATOM 116 CG2 ILE A 16 45.990 62.040 91.959 1.00 26.01 C +ATOM 117 CD1 ILE A 16 47.105 64.717 90.553 1.00 25.51 C +ATOM 118 N ASN A 17 43.183 60.628 91.694 1.00 26.34 N +ATOM 119 CA ASN A 17 42.709 59.905 92.855 1.00 30.83 C +ATOM 120 C ASN A 17 43.772 60.024 93.938 1.00 33.37 C +ATOM 121 O ASN A 17 44.748 59.272 93.938 1.00 27.61 O +ATOM 122 CB ASN A 17 42.473 58.440 92.498 1.00 36.45 C +ATOM 123 CG ASN A 17 42.019 57.618 93.685 1.00 42.06 C +ATOM 124 OD1 ASN A 17 41.349 58.121 94.580 1.00 38.59 O +ATOM 125 ND2 ASN A 17 42.383 56.338 93.696 1.00 58.69 N +ATOM 126 N VAL A 18 43.603 60.996 94.833 1.00 26.70 N +ATOM 127 CA VAL A 18 44.575 61.247 95.889 1.00 23.99 C +ATOM 128 C VAL A 18 44.410 60.179 96.983 1.00 33.73 C +ATOM 129 O VAL A 18 43.301 59.936 97.476 1.00 29.56 O +ATOM 130 CB VAL A 18 44.420 62.676 96.458 1.00 26.23 C +ATOM 131 CG1 VAL A 18 45.306 62.899 97.678 1.00 20.17 C +ATOM 132 CG2 VAL A 18 44.736 63.721 95.372 1.00 29.36 C +ATOM 133 N ASN A 19 45.506 59.520 97.344 1.00 30.23 N +ATOM 134 CA ASN A 19 45.431 58.451 98.345 1.00 27.90 C +ATOM 135 C ASN A 19 46.631 58.428 99.267 1.00 27.69 C +ATOM 136 O ASN A 19 47.560 59.227 99.131 1.00 30.31 O +ATOM 137 CB ASN A 19 45.271 57.087 97.673 1.00 29.25 C +ATOM 138 CG ASN A 19 46.439 56.744 96.775 1.00 23.03 C +ATOM 139 OD1 ASN A 19 47.586 57.039 97.097 1.00 31.39 O +ATOM 140 ND2 ASN A 19 46.151 56.142 95.636 1.00 37.18 N +ATOM 141 N ALA A 20 46.588 57.505 100.220 1.00 30.54 N +ATOM 142 CA ALA A 20 47.630 57.388 101.216 1.00 29.91 C +ATOM 143 C ALA A 20 48.989 57.310 100.527 1.00 27.73 C +ATOM 144 O ALA A 20 49.948 57.941 100.958 1.00 29.33 O +ATOM 145 CB ALA A 20 47.390 56.145 102.087 1.00 30.27 C +ATOM 146 N LYS A 21 49.056 56.560 99.433 1.00 28.51 N +ATOM 147 CA LYS A 21 50.349 56.309 98.800 1.00 30.40 C +ATOM 148 C LYS A 21 50.890 57.488 97.991 1.00 32.29 C +ATOM 149 O LYS A 21 52.100 57.662 97.881 1.00 32.71 O +ATOM 150 CB LYS A 21 50.304 55.016 97.981 1.00 33.38 C +ATOM 151 CG LYS A 21 50.085 53.777 98.866 1.00 41.58 C +ATOM 152 CD LYS A 21 50.244 52.462 98.108 1.00 55.90 C +ATOM 153 CE LYS A 21 50.191 51.268 99.066 1.00 66.99 C +ATOM 154 NZ LYS A 21 50.153 49.946 98.370 1.00 61.50 N +ATOM 155 N ASN A 22 50.009 58.330 97.459 1.00 31.43 N +ATOM 156 CA ASN A 22 50.490 59.387 96.571 1.00 25.19 C +ATOM 157 C ASN A 22 50.368 60.828 97.066 1.00 27.40 C +ATOM 158 O ASN A 22 50.933 61.736 96.462 1.00 26.62 O +ATOM 159 CB ASN A 22 49.860 59.248 95.183 1.00 25.68 C +ATOM 160 CG ASN A 22 48.395 59.584 95.174 1.00 28.54 C +ATOM 161 OD1 ASN A 22 47.885 60.231 96.095 1.00 24.04 O +ATOM 162 ND2 ASN A 22 47.695 59.128 94.141 1.00 27.10 N +ATOM 163 N TYR A 23 49.644 61.053 98.155 1.00 29.69 N +ATOM 164 CA TYR A 23 49.313 62.429 98.514 1.00 24.94 C +ATOM 165 C TYR A 23 50.514 63.329 98.788 1.00 34.45 C +ATOM 166 O TYR A 23 50.506 64.506 98.430 1.00 27.90 O +ATOM 167 CB TYR A 23 48.242 62.500 99.615 1.00 25.99 C +ATOM 168 CG TYR A 23 48.740 62.430 101.045 1.00 43.14 C +ATOM 169 CD1 TYR A 23 48.924 61.205 101.684 1.00 33.32 C +ATOM 170 CD2 TYR A 23 48.988 63.592 101.769 1.00 42.38 C +ATOM 171 CE1 TYR A 23 49.368 61.146 103.001 1.00 41.53 C +ATOM 172 CE2 TYR A 23 49.425 63.539 103.080 1.00 44.73 C +ATOM 173 CZ TYR A 23 49.613 62.313 103.693 1.00 53.41 C +ATOM 174 OH TYR A 23 50.049 62.262 105.001 1.00 49.70 O +ATOM 175 N LYS A 24 51.570 62.782 99.377 1.00 32.41 N +ATOM 176 CA LYS A 24 52.760 63.595 99.615 1.00 35.84 C +ATOM 177 C LYS A 24 53.410 64.030 98.300 1.00 34.25 C +ATOM 178 O LYS A 24 53.817 65.183 98.153 1.00 38.18 O +ATOM 179 CB LYS A 24 53.752 62.877 100.547 1.00 36.24 C +ATOM 180 CG LYS A 24 53.187 62.688 101.953 1.00 37.77 C +ATOM 181 CD LYS A 24 54.192 62.090 102.934 1.00 40.54 C +ATOM 182 CE LYS A 24 53.519 61.862 104.288 1.00 50.81 C +ATOM 183 NZ LYS A 24 54.298 60.990 105.212 1.00 58.42 N +ATOM 184 N ASN A 25 53.473 63.114 97.337 1.00 33.09 N +ATOM 185 CA ASN A 25 54.018 63.420 96.016 1.00 35.16 C +ATOM 186 C ASN A 25 53.146 64.414 95.253 1.00 35.93 C +ATOM 187 O ASN A 25 53.644 65.262 94.512 1.00 33.47 O +ATOM 188 CB ASN A 25 54.138 62.146 95.179 1.00 38.38 C +ATOM 189 CG ASN A 25 55.339 61.307 95.561 1.00 50.48 C +ATOM 190 OD1 ASN A 25 56.365 61.836 95.982 1.00 49.77 O +ATOM 191 ND2 ASN A 25 55.220 59.992 95.404 1.00 49.86 N +ATOM 192 N VAL A 26 51.837 64.285 95.416 1.00 27.55 N +ATOM 193 CA VAL A 26 50.914 65.185 94.731 1.00 26.50 C +ATOM 194 C VAL A 26 51.148 66.606 95.214 1.00 32.27 C +ATOM 195 O VAL A 26 51.285 67.528 94.410 1.00 32.89 O +ATOM 196 CB VAL A 26 49.435 64.766 94.931 1.00 26.17 C +ATOM 197 CG1 VAL A 26 48.480 65.853 94.396 1.00 23.92 C +ATOM 198 CG2 VAL A 26 49.168 63.432 94.247 1.00 25.93 C +ATOM 199 N PHE A 27 51.205 66.784 96.531 1.00 29.78 N +ATOM 200 CA PHE A 27 51.488 68.098 97.079 1.00 30.95 C +ATOM 201 C PHE A 27 52.800 68.694 96.572 1.00 34.02 C +ATOM 202 O PHE A 27 52.881 69.894 96.324 1.00 41.73 O +ATOM 203 CB PHE A 27 51.436 68.087 98.607 1.00 33.86 C +ATOM 204 CG PHE A 27 50.067 68.367 99.156 1.00 31.55 C +ATOM 205 CD1 PHE A 27 49.679 69.668 99.459 1.00 30.02 C +ATOM 206 CD2 PHE A 27 49.164 67.339 99.346 1.00 27.13 C +ATOM 207 CE1 PHE A 27 48.421 69.932 99.952 1.00 29.70 C +ATOM 208 CE2 PHE A 27 47.896 67.596 99.846 1.00 29.89 C +ATOM 209 CZ PHE A 27 47.528 68.899 100.144 1.00 29.08 C +ATOM 210 N LYS A 28 53.822 67.864 96.398 1.00 36.46 N +ATOM 211 CA LYS A 28 55.112 68.377 95.940 1.00 36.04 C +ATOM 212 C LYS A 28 55.059 68.879 94.506 1.00 37.09 C +ATOM 213 O LYS A 28 55.754 69.828 94.153 1.00 47.81 O +ATOM 214 CB LYS A 28 56.212 67.319 96.086 1.00 42.61 C +ATOM 215 CG LYS A 28 56.629 67.072 97.525 1.00 53.49 C +ATOM 216 CD LYS A 28 57.598 65.900 97.639 1.00 56.85 C +ATOM 217 CE LYS A 28 57.948 65.608 99.096 1.00 70.22 C +ATOM 218 NZ LYS A 28 58.814 64.401 99.230 1.00 75.23 N +ATOM 219 N LYS A 29 54.226 68.243 93.689 1.00 33.46 N +ATOM 220 CA LYS A 29 54.170 68.529 92.257 1.00 33.64 C +ATOM 221 C LYS A 29 53.503 69.866 91.896 1.00 38.10 C +ATOM 222 O LYS A 29 53.875 70.504 90.916 1.00 33.41 O +ATOM 223 CB LYS A 29 53.457 67.389 91.524 1.00 30.95 C +ATOM 224 CG LYS A 29 53.248 67.635 90.029 1.00 39.97 C +ATOM 225 CD LYS A 29 52.562 66.461 89.342 1.00 36.19 C +ATOM 226 CE LYS A 29 52.409 66.713 87.850 1.00 47.24 C +ATOM 227 NZ LYS A 29 51.627 65.636 87.182 1.00 49.21 N +ATOM 228 N TYR A 30 52.513 70.285 92.677 1.00 37.66 N +ATOM 229 CA TYR A 30 51.707 71.449 92.308 1.00 31.96 C +ATOM 230 C TYR A 30 51.890 72.605 93.282 1.00 30.05 C +ATOM 231 O TYR A 30 52.005 72.385 94.477 1.00 38.82 O +ATOM 232 CB TYR A 30 50.230 71.063 92.279 1.00 28.99 C +ATOM 233 CG TYR A 30 49.873 70.032 91.230 1.00 25.69 C +ATOM 234 CD1 TYR A 30 49.763 70.392 89.899 1.00 28.86 C +ATOM 235 CD2 TYR A 30 49.639 68.706 91.574 1.00 28.31 C +ATOM 236 CE1 TYR A 30 49.424 69.467 88.930 1.00 30.67 C +ATOM 237 CE2 TYR A 30 49.297 67.767 90.605 1.00 31.74 C +ATOM 238 CZ TYR A 30 49.198 68.163 89.280 1.00 31.45 C +ATOM 239 OH TYR A 30 48.861 67.269 88.292 1.00 36.12 O +ATOM 240 N GLU A 31 51.891 73.836 92.775 1.00 38.36 N +ATOM 241 CA GLU A 31 51.955 74.999 93.662 1.00 40.71 C +ATOM 242 C GLU A 31 50.602 75.290 94.297 1.00 30.95 C +ATOM 243 O GLU A 31 50.520 75.797 95.425 1.00 31.04 O +ATOM 244 CB GLU A 31 52.424 76.250 92.927 0.74 35.81 C +ATOM 245 CG GLU A 31 52.711 77.401 93.888 0.66 41.88 C +ATOM 246 CD GLU A 31 52.509 78.768 93.266 0.26 39.68 C +ATOM 247 OE1 GLU A 31 52.224 79.715 94.032 1.00 42.58 O +ATOM 248 OE2 GLU A 31 52.636 78.897 92.026 1.00 43.90 O +ATOM 249 N VAL A 32 49.544 74.995 93.547 1.00 25.19 N +ATOM 250 CA VAL A 32 48.187 75.149 94.040 1.00 25.01 C +ATOM 251 C VAL A 32 47.468 73.828 93.765 1.00 23.60 C +ATOM 252 O VAL A 32 47.550 73.275 92.670 1.00 24.69 O +ATOM 253 CB VAL A 32 47.469 76.349 93.365 1.00 21.14 C +ATOM 254 CG1 VAL A 32 46.018 76.425 93.810 1.00 20.40 C +ATOM 255 CG2 VAL A 32 48.191 77.656 93.712 1.00 26.05 C +ATOM 256 N LEU A 33 46.800 73.313 94.779 1.00 20.74 N +ATOM 257 CA LEU A 33 46.103 72.037 94.676 1.00 24.92 C +ATOM 258 C LEU A 33 44.661 72.218 95.136 1.00 21.30 C +ATOM 259 O LEU A 33 44.406 72.745 96.215 1.00 25.57 O +ATOM 260 CB LEU A 33 46.825 70.996 95.549 1.00 26.82 C +ATOM 261 CG LEU A 33 46.355 69.541 95.535 1.00 29.87 C +ATOM 262 CD1 LEU A 33 46.427 68.956 94.118 1.00 26.35 C +ATOM 263 CD2 LEU A 33 47.207 68.724 96.508 1.00 26.78 C +ATOM 264 N ALA A 34 43.720 71.798 94.303 1.00 20.30 N +ATOM 265 CA ALA A 34 42.306 71.802 94.661 1.00 19.67 C +ATOM 266 C ALA A 34 41.866 70.366 94.879 1.00 22.99 C +ATOM 267 O ALA A 34 41.959 69.548 93.961 1.00 18.86 O +ATOM 268 CB ALA A 34 41.481 72.426 93.551 1.00 17.69 C +ATOM 269 N LEU A 35 41.379 70.064 96.081 1.00 19.96 N +ATOM 270 CA LEU A 35 40.943 68.712 96.416 1.00 18.24 C +ATOM 271 C LEU A 35 39.471 68.717 96.753 1.00 18.84 C +ATOM 272 O LEU A 35 39.044 69.480 97.623 1.00 23.16 O +ATOM 273 CB LEU A 35 41.705 68.182 97.633 1.00 16.64 C +ATOM 274 CG LEU A 35 43.214 68.018 97.500 1.00 17.55 C +ATOM 275 CD1 LEU A 35 43.752 67.383 98.795 1.00 23.74 C +ATOM 276 CD2 LEU A 35 43.469 67.108 96.298 1.00 19.06 C +ATOM 277 N LEU A 36 38.708 67.871 96.064 1.00 16.42 N +ATOM 278 CA LEU A 36 37.316 67.623 96.410 1.00 21.20 C +ATOM 279 C LEU A 36 37.249 66.464 97.409 1.00 22.41 C +ATOM 280 O LEU A 36 37.575 65.326 97.083 1.00 21.66 O +ATOM 281 CB LEU A 36 36.487 67.262 95.180 1.00 18.20 C +ATOM 282 CG LEU A 36 35.045 66.822 95.458 1.00 20.35 C +ATOM 283 CD1 LEU A 36 34.279 67.859 96.281 1.00 23.85 C +ATOM 284 CD2 LEU A 36 34.309 66.485 94.153 1.00 21.36 C +ATOM 285 N TYR A 37 36.807 66.782 98.616 1.00 22.25 N +ATOM 286 CA TYR A 37 36.540 65.789 99.641 1.00 26.80 C +ATOM 287 C TYR A 37 35.111 65.279 99.453 1.00 32.84 C +ATOM 288 O TYR A 37 34.160 66.031 99.632 1.00 32.95 O +ATOM 289 CB TYR A 37 36.742 66.435 101.012 1.00 27.15 C +ATOM 290 CG TYR A 37 36.400 65.554 102.194 1.00 32.90 C +ATOM 291 CD1 TYR A 37 37.111 64.382 102.441 1.00 30.92 C +ATOM 292 CD2 TYR A 37 35.386 65.910 103.084 1.00 36.88 C +ATOM 293 CE1 TYR A 37 36.808 63.575 103.527 1.00 29.43 C +ATOM 294 CE2 TYR A 37 35.075 65.109 104.178 1.00 41.83 C +ATOM 295 CZ TYR A 37 35.793 63.943 104.397 1.00 38.88 C +ATOM 296 OH TYR A 37 35.492 63.139 105.476 1.00 35.60 O +ATOM 297 N HIS A 38 34.958 64.015 99.061 1.00 26.26 N +ATOM 298 CA HIS A 38 33.640 63.485 98.696 1.00 28.16 C +ATOM 299 C HIS A 38 33.321 62.149 99.361 1.00 34.56 C +ATOM 300 O HIS A 38 34.207 61.483 99.903 1.00 31.79 O +ATOM 301 CB HIS A 38 33.547 63.295 97.190 1.00 27.34 C +ATOM 302 CG HIS A 38 34.434 62.208 96.670 1.00 30.38 C +ATOM 303 ND1 HIS A 38 34.022 60.897 96.567 1.00 31.78 N +ATOM 304 CD2 HIS A 38 35.716 62.233 96.235 1.00 30.03 C +ATOM 305 CE1 HIS A 38 35.008 60.161 96.082 1.00 33.86 C +ATOM 306 NE2 HIS A 38 36.048 60.947 95.872 1.00 34.19 N +ATOM 307 N GLU A 39 32.050 61.754 99.292 1.00 34.08 N +ATOM 308 CA GLU A 39 31.592 60.521 99.913 1.00 29.35 C +ATOM 309 C GLU A 39 31.714 59.356 98.951 1.00 44.77 C +ATOM 310 O GLU A 39 31.675 59.541 97.737 1.00 49.80 O +ATOM 311 CB GLU A 39 30.141 60.668 100.374 1.00 43.16 C +ATOM 312 CG GLU A 39 29.954 61.760 101.412 1.00 27.81 C +ATOM 313 CD GLU A 39 30.788 61.506 102.650 1.00 45.62 C +ATOM 314 OE1 GLU A 39 31.427 62.459 103.157 1.00 38.94 O +ATOM 315 OE2 GLU A 39 30.808 60.339 103.111 1.00 42.57 O +ATOM 316 N PRO A 40 31.879 58.140 99.488 1.00 50.98 N +ATOM 317 CA PRO A 40 31.950 56.973 98.599 1.00 50.24 C +ATOM 318 C PRO A 40 30.670 56.864 97.777 1.00 40.44 C +ATOM 319 O PRO A 40 29.658 57.456 98.159 1.00 48.21 O +ATOM 320 CB PRO A 40 32.104 55.789 99.567 1.00 49.93 C +ATOM 321 CG PRO A 40 31.687 56.322 100.915 1.00 47.57 C +ATOM 322 CD PRO A 40 32.012 57.781 100.909 1.00 41.54 C +ATOM 323 N PRO A 41 30.721 56.147 96.643 1.00 50.10 N +ATOM 324 CA PRO A 41 29.576 56.005 95.732 1.00 50.01 C +ATOM 325 C PRO A 41 28.347 55.394 96.406 1.00 52.52 C +ATOM 326 O PRO A 41 28.449 54.323 97.011 1.00 53.86 O +ATOM 327 CB PRO A 41 30.108 55.051 94.656 1.00 53.02 C +ATOM 328 CG PRO A 41 31.587 55.259 94.672 1.00 51.29 C +ATOM 329 CD PRO A 41 31.936 55.505 96.108 1.00 48.74 C +ATOM 330 N GLU A 42 27.209 56.076 96.302 1.00 49.00 N +ATOM 331 CA GLU A 42 25.931 55.547 96.775 1.00 47.13 C +ATOM 332 C GLU A 42 25.304 54.637 95.726 1.00 53.08 C +ATOM 333 O GLU A 42 25.731 54.613 94.567 1.00 53.62 O +ATOM 334 CB GLU A 42 24.965 56.679 97.129 1.00 45.21 C +ATOM 335 CG GLU A 42 25.326 57.441 98.394 1.00 53.35 C +ATOM 336 CD GLU A 42 25.203 56.589 99.652 1.00 69.22 C +ATOM 337 OE1 GLU A 42 25.710 57.012 100.714 1.00 69.95 O +ATOM 338 OE2 GLU A 42 24.594 55.498 99.582 1.00 76.46 O +ATOM 339 N ASP A 43 24.290 53.885 96.132 1.00 51.69 N +ATOM 340 CA ASP A 43 23.680 52.906 95.247 1.00 53.57 C +ATOM 341 C ASP A 43 22.751 53.552 94.229 1.00 49.21 C +ATOM 342 O ASP A 43 22.480 52.972 93.175 1.00 44.99 O +ATOM 343 CB ASP A 43 22.911 51.861 96.057 1.00 70.22 C +ATOM 344 CG ASP A 43 23.826 50.878 96.751 1.00 85.34 C +ATOM 345 OD1 ASP A 43 25.058 51.097 96.727 1.00 83.00 O +ATOM 346 OD2 ASP A 43 23.315 49.891 97.324 1.00 91.31 O +ATOM 347 N ASP A 44 22.262 54.747 94.541 1.00 41.54 N +ATOM 348 CA ASP A 44 21.233 55.347 93.709 1.00 33.53 C +ATOM 349 C ASP A 44 21.818 56.103 92.514 1.00 38.83 C +ATOM 350 O ASP A 44 22.847 56.777 92.617 1.00 28.86 O +ATOM 351 CB ASP A 44 20.309 56.237 94.537 1.00 35.10 C +ATOM 352 CG ASP A 44 20.990 57.487 95.016 1.00 39.69 C +ATOM 353 OD1 ASP A 44 21.924 57.379 95.838 1.00 42.49 O +ATOM 354 OD2 ASP A 44 20.583 58.580 94.572 1.00 38.25 O +ATOM 355 N LYS A 45 21.150 55.964 91.377 1.00 38.56 N +ATOM 356 CA LYS A 45 21.593 56.587 90.145 1.00 37.31 C +ATOM 357 C LYS A 45 21.762 58.101 90.289 1.00 29.86 C +ATOM 358 O LYS A 45 22.754 58.664 89.837 1.00 29.68 O +ATOM 359 CB LYS A 45 20.601 56.298 89.023 1.00 42.78 C +ATOM 360 CG LYS A 45 21.046 56.899 87.705 1.00 55.73 C +ATOM 361 CD LYS A 45 19.974 56.814 86.634 1.00 57.54 C +ATOM 362 CE LYS A 45 20.439 57.555 85.402 1.00 45.33 C +ATOM 363 NZ LYS A 45 21.841 57.159 85.062 1.00 55.31 N +ATOM 364 N ALA A 46 20.788 58.753 90.909 1.00 25.04 N +ATOM 365 CA ALA A 46 20.825 60.208 91.055 1.00 29.00 C +ATOM 366 C ALA A 46 22.107 60.702 91.716 1.00 27.68 C +ATOM 367 O ALA A 46 22.743 61.623 91.216 1.00 22.76 O +ATOM 368 CB ALA A 46 19.594 60.715 91.805 1.00 32.46 C +ATOM 369 N SER A 47 22.491 60.094 92.834 1.00 27.64 N +ATOM 370 CA SER A 47 23.711 60.491 93.541 1.00 29.47 C +ATOM 371 C SER A 47 24.923 60.316 92.657 1.00 25.10 C +ATOM 372 O SER A 47 25.851 61.135 92.670 1.00 24.09 O +ATOM 373 CB SER A 47 23.905 59.654 94.817 1.00 29.98 C +ATOM 374 OG SER A 47 22.847 59.894 95.724 1.00 46.91 O +ATOM 375 N GLN A 48 24.929 59.220 91.905 1.00 23.99 N +ATOM 376 CA GLN A 48 26.061 58.899 91.058 1.00 26.18 C +ATOM 377 C GLN A 48 26.207 59.924 89.939 1.00 21.98 C +ATOM 378 O GLN A 48 27.311 60.335 89.603 1.00 22.30 O +ATOM 379 CB GLN A 48 25.896 57.497 90.474 1.00 25.67 C +ATOM 380 CG GLN A 48 25.989 56.409 91.533 1.00 37.09 C +ATOM 381 CD GLN A 48 25.564 55.052 91.014 1.00 47.48 C +ATOM 382 OE1 GLN A 48 25.152 54.183 91.782 1.00 50.66 O +ATOM 383 NE2 GLN A 48 25.661 54.862 89.704 1.00 42.44 N +ATOM 384 N ARG A 49 25.085 60.313 89.363 1.00 22.00 N +ATOM 385 CA ARG A 49 25.086 61.344 88.332 1.00 27.85 C +ATOM 386 C ARG A 49 25.562 62.700 88.876 1.00 22.24 C +ATOM 387 O ARG A 49 26.297 63.413 88.205 1.00 20.47 O +ATOM 388 CB ARG A 49 23.696 61.465 87.720 1.00 20.77 C +ATOM 389 CG ARG A 49 23.280 60.240 86.906 1.00 26.26 C +ATOM 390 CD ARG A 49 24.001 60.233 85.553 1.00 26.66 C +ATOM 391 NE ARG A 49 23.231 60.967 84.554 1.00 21.38 N +ATOM 392 CZ ARG A 49 23.714 61.411 83.399 1.00 24.97 C +ATOM 393 NH1 ARG A 49 24.981 61.214 83.088 1.00 21.49 N +ATOM 394 NH2 ARG A 49 22.919 62.056 82.551 1.00 25.76 N +ATOM 395 N GLN A 50 25.092 63.077 90.064 1.00 19.51 N +ATOM 396 CA GLN A 50 25.569 64.305 90.695 1.00 21.90 C +ATOM 397 C GLN A 50 27.092 64.276 90.828 1.00 23.83 C +ATOM 398 O GLN A 50 27.774 65.265 90.557 1.00 22.74 O +ATOM 399 CB GLN A 50 24.927 64.489 92.075 1.00 19.40 C +ATOM 400 CG GLN A 50 23.441 64.788 92.025 1.00 22.09 C +ATOM 401 CD GLN A 50 22.845 64.835 93.414 1.00 30.09 C +ATOM 402 OE1 GLN A 50 23.017 63.899 94.194 1.00 29.11 O +ATOM 403 NE2 GLN A 50 22.172 65.933 93.743 1.00 25.17 N +ATOM 404 N PHE A 51 27.636 63.144 91.257 1.00 22.73 N +ATOM 405 CA PHE A 51 29.082 63.060 91.429 1.00 23.97 C +ATOM 406 C PHE A 51 29.799 63.103 90.089 1.00 20.40 C +ATOM 407 O PHE A 51 30.855 63.726 89.965 1.00 21.55 O +ATOM 408 CB PHE A 51 29.506 61.797 92.187 1.00 25.13 C +ATOM 409 CG PHE A 51 30.988 61.654 92.301 1.00 30.65 C +ATOM 410 CD1 PHE A 51 31.684 62.348 93.272 1.00 33.09 C +ATOM 411 CD2 PHE A 51 31.695 60.868 91.401 1.00 28.82 C +ATOM 412 CE1 PHE A 51 33.051 62.242 93.363 1.00 32.76 C +ATOM 413 CE2 PHE A 51 33.067 60.749 91.492 1.00 31.42 C +ATOM 414 CZ PHE A 51 33.745 61.439 92.472 1.00 38.24 C +ATOM 415 N GLU A 52 29.223 62.428 89.099 1.00 19.72 N +ATOM 416 CA GLU A 52 29.774 62.398 87.753 1.00 19.98 C +ATOM 417 C GLU A 52 29.913 63.828 87.196 1.00 19.47 C +ATOM 418 O GLU A 52 30.933 64.182 86.584 1.00 17.28 O +ATOM 419 CB GLU A 52 28.847 61.552 86.864 1.00 20.41 C +ATOM 420 CG GLU A 52 29.287 61.376 85.427 1.00 22.28 C +ATOM 421 CD GLU A 52 28.220 60.659 84.591 1.00 29.74 C +ATOM 422 OE1 GLU A 52 27.104 60.454 85.088 1.00 32.40 O +ATOM 423 OE2 GLU A 52 28.484 60.307 83.433 1.00 29.37 O +ATOM 424 N MET A 53 28.888 64.644 87.418 1.00 21.93 N +ATOM 425 CA AMET A 53 28.917 66.027 86.947 0.45 20.04 C +ATOM 426 CA BMET A 53 28.888 66.038 86.987 0.55 20.03 C +ATOM 427 C MET A 53 29.986 66.839 87.676 1.00 20.91 C +ATOM 428 O MET A 53 30.775 67.530 87.035 1.00 18.75 O +ATOM 429 CB AMET A 53 27.542 66.702 87.058 0.45 20.38 C +ATOM 430 CB BMET A 53 27.544 66.679 87.307 0.55 20.46 C +ATOM 431 CG AMET A 53 27.501 68.098 86.425 0.45 22.18 C +ATOM 432 CG BMET A 53 27.562 68.175 87.134 0.55 20.21 C +ATOM 433 SD AMET A 53 25.955 69.026 86.616 0.45 24.60 S +ATOM 434 SD BMET A 53 27.489 68.556 85.386 0.55 20.69 S +ATOM 435 CE AMET A 53 24.857 68.175 85.487 0.45 17.94 C +ATOM 436 CE BMET A 53 25.700 68.630 85.219 0.55 23.85 C +ATOM 437 N GLU A 54 30.021 66.761 89.005 1.00 19.01 N +ATOM 438 CA GLU A 54 31.050 67.480 89.754 1.00 21.78 C +ATOM 439 C GLU A 54 32.446 67.084 89.288 1.00 25.17 C +ATOM 440 O GLU A 54 33.321 67.940 89.140 1.00 18.28 O +ATOM 441 CB GLU A 54 30.940 67.220 91.263 1.00 21.62 C +ATOM 442 CG GLU A 54 29.774 67.927 91.928 1.00 27.26 C +ATOM 443 CD GLU A 54 29.772 67.760 93.448 1.00 38.18 C +ATOM 444 OE1 GLU A 54 30.458 66.847 93.971 1.00 32.12 O +ATOM 445 OE2 GLU A 54 29.082 68.553 94.117 1.00 34.85 O +ATOM 446 N GLU A 55 32.678 65.786 89.084 1.00 17.83 N +ATOM 447 CA GLU A 55 34.031 65.363 88.726 1.00 18.59 C +ATOM 448 C GLU A 55 34.432 65.884 87.335 1.00 16.84 C +ATOM 449 O GLU A 55 35.580 66.251 87.101 1.00 17.39 O +ATOM 450 CB GLU A 55 34.181 63.836 88.805 1.00 20.34 C +ATOM 451 CG GLU A 55 35.642 63.370 88.783 1.00 24.42 C +ATOM 452 CD GLU A 55 36.214 63.244 87.387 1.00 24.32 C +ATOM 453 OE1 GLU A 55 35.427 63.138 86.421 1.00 22.51 O +ATOM 454 OE2 GLU A 55 37.456 63.246 87.263 1.00 24.32 O +ATOM 455 N LEU A 56 33.479 65.903 86.412 1.00 17.74 N +ATOM 456 CA LEU A 56 33.740 66.431 85.071 1.00 16.69 C +ATOM 457 C LEU A 56 33.989 67.950 85.099 1.00 15.78 C +ATOM 458 O LEU A 56 34.801 68.478 84.345 1.00 16.71 O +ATOM 459 CB LEU A 56 32.569 66.096 84.144 1.00 19.26 C +ATOM 460 CG LEU A 56 32.682 64.704 83.502 1.00 21.34 C +ATOM 461 CD1 LEU A 56 31.365 64.262 82.890 1.00 21.92 C +ATOM 462 CD2 LEU A 56 33.776 64.736 82.467 1.00 20.03 C +ATOM 463 N ILE A 57 33.282 68.649 85.970 1.00 15.43 N +ATOM 464 CA ILE A 57 33.550 70.077 86.151 1.00 19.28 C +ATOM 465 C ILE A 57 35.008 70.287 86.567 1.00 17.89 C +ATOM 466 O ILE A 57 35.703 71.140 86.001 1.00 14.89 O +ATOM 467 CB ILE A 57 32.536 70.721 87.136 1.00 16.75 C +ATOM 468 CG1 ILE A 57 31.155 70.801 86.459 1.00 17.47 C +ATOM 469 CG2 ILE A 57 33.070 72.087 87.643 1.00 16.62 C +ATOM 470 CD1 ILE A 57 30.002 71.132 87.404 1.00 16.58 C +ATOM 471 N LEU A 58 35.483 69.475 87.517 1.00 15.61 N +ATOM 472 CA LEU A 58 36.891 69.494 87.900 1.00 18.22 C +ATOM 473 C LEU A 58 37.797 69.162 86.725 1.00 15.12 C +ATOM 474 O LEU A 58 38.845 69.772 86.565 1.00 17.66 O +ATOM 475 CB LEU A 58 37.169 68.541 89.070 1.00 18.83 C +ATOM 476 CG LEU A 58 36.458 68.916 90.374 1.00 23.58 C +ATOM 477 CD1 LEU A 58 36.740 67.874 91.482 1.00 21.68 C +ATOM 478 CD2 LEU A 58 36.853 70.320 90.821 1.00 19.90 C +ATOM 479 N GLU A 59 37.384 68.202 85.898 1.00 18.48 N +ATOM 480 CA GLU A 59 38.197 67.844 84.741 1.00 16.15 C +ATOM 481 C GLU A 59 38.367 69.038 83.823 1.00 14.84 C +ATOM 482 O GLU A 59 39.458 69.291 83.328 1.00 18.66 O +ATOM 483 CB GLU A 59 37.578 66.678 83.960 1.00 17.30 C +ATOM 484 CG GLU A 59 37.571 65.337 84.718 1.00 18.27 C +ATOM 485 CD GLU A 59 38.948 64.689 84.856 1.00 23.28 C +ATOM 486 OE1 GLU A 59 39.962 65.240 84.365 1.00 19.48 O +ATOM 487 OE2 GLU A 59 39.016 63.605 85.479 1.00 20.98 O +ATOM 488 N LEU A 60 37.282 69.774 83.593 1.00 16.29 N +ATOM 489 CA LEU A 60 37.354 70.908 82.687 1.00 15.63 C +ATOM 490 C LEU A 60 38.325 71.959 83.245 1.00 18.34 C +ATOM 491 O LEU A 60 39.183 72.474 82.534 1.00 15.67 O +ATOM 492 CB LEU A 60 35.962 71.498 82.483 1.00 17.00 C +ATOM 493 CG LEU A 60 35.832 72.628 81.462 1.00 21.75 C +ATOM 494 CD1 LEU A 60 36.510 72.219 80.160 1.00 19.09 C +ATOM 495 CD2 LEU A 60 34.358 72.996 81.238 1.00 18.98 C +ATOM 496 N ALA A 61 38.175 72.287 84.523 1.00 17.92 N +ATOM 497 CA ALA A 61 39.087 73.223 85.171 1.00 16.99 C +ATOM 498 C ALA A 61 40.532 72.721 85.096 1.00 18.37 C +ATOM 499 O ALA A 61 41.463 73.506 84.897 1.00 18.50 O +ATOM 500 CB ALA A 61 38.670 73.431 86.618 1.00 17.20 C +ATOM 501 N ALA A 62 40.721 71.416 85.300 1.00 16.69 N +ATOM 502 CA ALA A 62 42.058 70.830 85.290 1.00 18.74 C +ATOM 503 C ALA A 62 42.698 70.988 83.918 1.00 17.06 C +ATOM 504 O ALA A 62 43.890 71.257 83.826 1.00 16.48 O +ATOM 505 CB ALA A 62 42.001 69.337 85.683 1.00 16.98 C +ATOM 506 N GLN A 63 41.898 70.830 82.858 1.00 18.32 N +ATOM 507 CA GLN A 63 42.427 70.985 81.501 1.00 17.51 C +ATOM 508 C GLN A 63 42.828 72.421 81.254 1.00 16.89 C +ATOM 509 O GLN A 63 43.927 72.690 80.766 1.00 18.07 O +ATOM 510 CB GLN A 63 41.428 70.522 80.432 1.00 19.56 C +ATOM 511 CG GLN A 63 41.960 70.723 79.014 1.00 18.85 C +ATOM 512 CD GLN A 63 41.059 70.126 77.933 1.00 21.00 C +ATOM 513 OE1 GLN A 63 40.151 69.349 78.211 1.00 20.90 O +ATOM 514 NE2 GLN A 63 41.321 70.494 76.688 1.00 21.44 N +ATOM 515 N VAL A 64 41.935 73.344 81.603 1.00 15.80 N +ATOM 516 CA VAL A 64 42.222 74.766 81.463 1.00 17.30 C +ATOM 517 C VAL A 64 43.477 75.209 82.227 1.00 19.71 C +ATOM 518 O VAL A 64 44.307 75.987 81.722 1.00 18.79 O +ATOM 519 CB VAL A 64 41.019 75.628 81.885 1.00 17.90 C +ATOM 520 CG1 VAL A 64 41.419 77.116 81.954 1.00 16.41 C +ATOM 521 CG2 VAL A 64 39.857 75.401 80.932 1.00 18.25 C +ATOM 522 N LEU A 65 43.626 74.713 83.443 1.00 12.73 N +ATOM 523 CA LEU A 65 44.706 75.202 84.289 1.00 16.02 C +ATOM 524 C LEU A 65 45.950 74.314 84.296 1.00 21.20 C +ATOM 525 O LEU A 65 46.849 74.509 85.119 1.00 19.33 O +ATOM 526 CB LEU A 65 44.179 75.407 85.711 1.00 18.60 C +ATOM 527 CG LEU A 65 43.220 76.597 85.800 1.00 17.34 C +ATOM 528 CD1 LEU A 65 42.674 76.696 87.218 1.00 22.15 C +ATOM 529 CD2 LEU A 65 43.963 77.874 85.409 1.00 20.22 C +ATOM 530 N GLU A 66 46.019 73.363 83.367 1.00 20.73 N +ATOM 531 CA GLU A 66 47.142 72.416 83.351 1.00 22.43 C +ATOM 532 C GLU A 66 48.504 73.107 83.232 1.00 25.21 C +ATOM 533 O GLU A 66 49.451 72.775 83.941 1.00 21.24 O +ATOM 534 CB GLU A 66 46.972 71.413 82.206 1.00 24.56 C +ATOM 535 CG GLU A 66 48.084 70.380 82.115 1.00 33.31 C +ATOM 536 CD GLU A 66 47.707 69.214 81.213 1.00 28.61 C +ATOM 537 OE1 GLU A 66 47.515 69.431 80.001 1.00 35.73 O +ATOM 538 OE2 GLU A 66 47.561 68.093 81.733 1.00 40.66 O +ATOM 539 N ASP A 67 48.600 74.056 82.315 1.00 22.23 N +ATOM 540 CA AASP A 67 49.849 74.759 82.040 0.54 24.55 C +ATOM 541 CA BASP A 67 49.865 74.741 82.061 0.46 24.54 C +ATOM 542 C ASP A 67 50.295 75.641 83.210 1.00 30.11 C +ATOM 543 O ASP A 67 51.476 75.907 83.382 1.00 26.86 O +ATOM 544 CB AASP A 67 49.682 75.591 80.756 0.54 25.27 C +ATOM 545 CB BASP A 67 49.787 75.559 80.770 0.46 25.29 C +ATOM 546 CG AASP A 67 50.911 76.408 80.411 0.54 28.25 C +ATOM 547 CG BASP A 67 49.715 74.691 79.537 0.46 28.35 C +ATOM 548 OD1AASP A 67 51.875 75.837 79.862 0.54 32.25 O +ATOM 549 OD1BASP A 67 50.339 73.609 79.535 0.46 36.55 O +ATOM 550 OD2AASP A 67 50.906 77.629 80.670 0.54 29.27 O +ATOM 551 OD2BASP A 67 49.039 75.097 78.569 0.46 31.70 O +ATOM 552 N LYS A 68 49.339 76.101 84.008 1.00 20.43 N +ATOM 553 CA LYS A 68 49.649 76.981 85.128 1.00 21.56 C +ATOM 554 C LYS A 68 50.010 76.263 86.442 1.00 26.91 C +ATOM 555 O LYS A 68 50.207 76.898 87.469 1.00 29.82 O +ATOM 556 CB LYS A 68 48.512 77.973 85.324 1.00 24.27 C +ATOM 557 CG LYS A 68 48.527 79.031 84.214 1.00 26.98 C +ATOM 558 CD LYS A 68 47.651 80.209 84.507 1.00 34.24 C +ATOM 559 CE LYS A 68 47.787 81.277 83.407 1.00 27.69 C +ATOM 560 NZ LYS A 68 48.715 82.371 83.802 1.00 27.56 N +ATOM 561 N GLY A 69 50.091 74.942 86.401 1.00 27.13 N +ATOM 562 CA GLY A 69 50.543 74.185 87.562 1.00 31.31 C +ATOM 563 C GLY A 69 49.543 74.139 88.712 1.00 34.77 C +ATOM 564 O GLY A 69 49.906 74.164 89.896 1.00 31.49 O +ATOM 565 N VAL A 70 48.266 74.086 88.361 1.00 26.51 N +ATOM 566 CA VAL A 70 47.229 73.854 89.351 1.00 26.35 C +ATOM 567 C VAL A 70 46.787 72.417 89.194 1.00 26.56 C +ATOM 568 O VAL A 70 46.453 71.997 88.090 1.00 25.64 O +ATOM 569 CB VAL A 70 46.030 74.783 89.124 1.00 18.48 C +ATOM 570 CG1 VAL A 70 44.980 74.567 90.210 1.00 19.36 C +ATOM 571 CG2 VAL A 70 46.501 76.233 89.116 1.00 23.49 C +ATOM 572 N GLY A 71 46.793 71.667 90.293 1.00 23.67 N +ATOM 573 CA GLY A 71 46.399 70.272 90.264 1.00 22.80 C +ATOM 574 C GLY A 71 45.050 70.075 90.900 1.00 21.76 C +ATOM 575 O GLY A 71 44.633 70.886 91.713 1.00 22.66 O +ATOM 576 N PHE A 72 44.361 69.012 90.501 1.00 16.68 N +ATOM 577 CA PHE A 72 43.036 68.701 91.001 1.00 19.10 C +ATOM 578 C PHE A 72 42.998 67.252 91.446 1.00 20.85 C +ATOM 579 O PHE A 72 43.581 66.383 90.795 1.00 21.14 O +ATOM 580 CB PHE A 72 41.994 68.921 89.904 1.00 20.97 C +ATOM 581 CG PHE A 72 41.822 70.362 89.531 1.00 18.83 C +ATOM 582 CD1 PHE A 72 42.754 70.988 88.712 1.00 18.73 C +ATOM 583 CD2 PHE A 72 40.752 71.091 90.021 1.00 21.32 C +ATOM 584 CE1 PHE A 72 42.604 72.327 88.351 1.00 20.00 C +ATOM 585 CE2 PHE A 72 40.603 72.448 89.685 1.00 22.16 C +ATOM 586 CZ PHE A 72 41.535 73.055 88.852 1.00 15.81 C +ATOM 587 N GLY A 73 42.314 66.998 92.555 1.00 20.06 N +ATOM 588 CA GLY A 73 42.320 65.679 93.154 1.00 16.42 C +ATOM 589 C GLY A 73 41.051 65.359 93.899 1.00 20.95 C +ATOM 590 O GLY A 73 40.309 66.257 94.278 1.00 19.35 O +ATOM 591 N LEU A 74 40.814 64.068 94.119 1.00 17.00 N +ATOM 592 CA LEU A 74 39.625 63.596 94.813 1.00 17.74 C +ATOM 593 C LEU A 74 40.050 62.870 96.073 1.00 25.00 C +ATOM 594 O LEU A 74 40.941 62.024 96.032 1.00 22.06 O +ATOM 595 CB LEU A 74 38.881 62.607 93.934 1.00 22.88 C +ATOM 596 CG LEU A 74 38.358 63.158 92.619 1.00 22.89 C +ATOM 597 CD1 LEU A 74 37.879 62.032 91.720 1.00 27.23 C +ATOM 598 CD2 LEU A 74 37.240 64.174 92.874 1.00 30.48 C +ATOM 599 N VAL A 75 39.426 63.203 97.192 1.00 20.13 N +ATOM 600 CA VAL A 75 39.701 62.478 98.427 1.00 23.55 C +ATOM 601 C VAL A 75 38.407 61.870 98.942 1.00 25.68 C +ATOM 602 O VAL A 75 37.488 62.590 99.328 1.00 26.19 O +ATOM 603 CB VAL A 75 40.323 63.364 99.512 1.00 23.22 C +ATOM 604 CG1 VAL A 75 40.574 62.533 100.776 1.00 26.88 C +ATOM 605 CG2 VAL A 75 41.633 64.021 99.014 1.00 26.43 C +ATOM 606 N ASP A 76 38.363 60.541 98.929 1.00 26.47 N +ATOM 607 CA ASP A 76 37.202 59.742 99.314 1.00 29.15 C +ATOM 608 C ASP A 76 37.181 59.600 100.835 1.00 31.34 C +ATOM 609 O ASP A 76 38.169 59.191 101.451 1.00 24.61 O +ATOM 610 CB ASP A 76 37.282 58.376 98.600 1.00 25.06 C +ATOM 611 CG ASP A 76 36.074 57.475 98.865 1.00 31.75 C +ATOM 612 OD1 ASP A 76 35.563 56.883 97.886 1.00 33.14 O +ATOM 613 OD2 ASP A 76 35.662 57.329 100.035 1.00 29.34 O +ATOM 614 N SER A 77 36.061 59.976 101.441 1.00 31.61 N +ATOM 615 CA SER A 77 35.946 60.040 102.897 1.00 28.27 C +ATOM 616 C SER A 77 36.069 58.665 103.568 1.00 29.69 C +ATOM 617 O SER A 77 36.294 58.581 104.773 1.00 32.70 O +ATOM 618 CB SER A 77 34.604 60.662 103.289 1.00 29.28 C +ATOM 619 OG SER A 77 33.545 59.825 102.864 1.00 31.09 O +ATOM 620 N GLU A 78 35.903 57.600 102.789 1.00 35.26 N +ATOM 621 CA GLU A 78 36.014 56.237 103.315 1.00 37.68 C +ATOM 622 C GLU A 78 37.345 55.637 102.894 1.00 37.87 C +ATOM 623 O GLU A 78 38.204 55.350 103.730 1.00 39.13 O +ATOM 624 CB GLU A 78 34.859 55.382 102.794 1.00 40.86 C +ATOM 625 CG GLU A 78 34.752 53.978 103.370 1.00 51.71 C +ATOM 626 CD GLU A 78 33.461 53.283 102.944 1.00 60.77 C +ATOM 627 OE1 GLU A 78 33.538 52.200 102.321 1.00 66.17 O +ATOM 628 OE2 GLU A 78 32.368 53.825 103.228 1.00 61.47 O +ATOM 629 N LYS A 79 37.514 55.458 101.588 1.00 35.00 N +ATOM 630 CA LYS A 79 38.740 54.925 101.027 1.00 30.31 C +ATOM 631 C LYS A 79 39.970 55.742 101.457 1.00 36.38 C +ATOM 632 O LYS A 79 41.032 55.187 101.719 1.00 32.84 O +ATOM 633 CB LYS A 79 38.612 54.848 99.503 1.00 30.97 C +ATOM 634 CG LYS A 79 39.838 54.330 98.771 1.00 45.91 C +ATOM 635 CD LYS A 79 39.618 54.354 97.261 1.00 48.05 C +ATOM 636 CE LYS A 79 40.895 54.701 96.498 1.00 58.56 C +ATOM 637 NZ LYS A 79 41.297 56.133 96.629 1.00 35.56 N +ATOM 638 N ASP A 80 39.828 57.059 101.568 1.00 31.38 N +ATOM 639 CA ASP A 80 40.981 57.897 101.896 1.00 29.28 C +ATOM 640 C ASP A 80 40.833 58.617 103.222 1.00 30.09 C +ATOM 641 O ASP A 80 41.365 59.710 103.408 1.00 26.16 O +ATOM 642 CB ASP A 80 41.246 58.899 100.769 1.00 30.98 C +ATOM 643 CG ASP A 80 41.232 58.246 99.414 1.00 31.49 C +ATOM 644 OD1 ASP A 80 41.972 57.261 99.239 1.00 32.46 O +ATOM 645 OD2 ASP A 80 40.463 58.686 98.532 1.00 27.62 O +ATOM 646 N ALA A 81 40.114 57.996 104.151 1.00 30.53 N +ATOM 647 CA ALA A 81 39.859 58.606 105.454 1.00 28.88 C +ATOM 648 C ALA A 81 41.109 59.154 106.146 1.00 27.66 C +ATOM 649 O ALA A 81 41.065 60.201 106.786 1.00 29.39 O +ATOM 650 CB ALA A 81 39.132 57.617 106.361 1.00 30.33 C +ATOM 651 N ALA A 82 42.234 58.453 106.019 1.00 30.65 N +ATOM 652 CA ALA A 82 43.445 58.866 106.709 1.00 24.24 C +ATOM 653 C ALA A 82 44.086 60.106 106.101 1.00 29.92 C +ATOM 654 O ALA A 82 44.634 60.957 106.808 1.00 27.34 O +ATOM 655 CB ALA A 82 44.450 57.712 106.760 1.00 32.64 C +ATOM 656 N VAL A 83 44.030 60.208 104.780 1.00 28.64 N +ATOM 657 CA VAL A 83 44.527 61.398 104.119 1.00 30.28 C +ATOM 658 C VAL A 83 43.699 62.601 104.587 1.00 20.27 C +ATOM 659 O VAL A 83 44.250 63.657 104.896 1.00 28.68 O +ATOM 660 CB VAL A 83 44.440 61.252 102.592 1.00 27.86 C +ATOM 661 CG1 VAL A 83 44.833 62.556 101.909 1.00 29.33 C +ATOM 662 CG2 VAL A 83 45.333 60.094 102.119 1.00 31.55 C +ATOM 663 N ALA A 84 42.382 62.420 104.626 1.00 26.93 N +ATOM 664 CA ALA A 84 41.476 63.501 105.004 1.00 31.50 C +ATOM 665 C ALA A 84 41.847 63.989 106.389 1.00 39.00 C +ATOM 666 O ALA A 84 41.973 65.197 106.630 1.00 36.64 O +ATOM 667 CB ALA A 84 40.035 63.022 104.978 1.00 30.11 C +ATOM 668 N LYS A 85 42.041 63.032 107.294 1.00 38.56 N +ATOM 669 CA LYS A 85 42.449 63.339 108.659 1.00 35.15 C +ATOM 670 C LYS A 85 43.684 64.212 108.716 1.00 36.89 C +ATOM 671 O LYS A 85 43.684 65.221 109.407 1.00 44.26 O +ATOM 672 CB LYS A 85 42.657 62.057 109.470 1.00 39.99 C +ATOM 673 CG LYS A 85 41.796 61.998 110.724 1.00 39.51 C +ATOM 674 CD LYS A 85 41.909 60.664 111.438 1.00 32.24 C +ATOM 675 CE LYS A 85 41.030 60.639 112.694 1.00 42.08 C +ATOM 676 NZ LYS A 85 41.592 61.394 113.856 1.00 36.08 N +ATOM 677 N LYS A 86 44.732 63.840 107.984 1.00 32.43 N +ATOM 678 CA LYS A 86 45.988 64.580 108.028 1.00 33.07 C +ATOM 679 C LYS A 86 45.883 65.969 107.417 1.00 41.98 C +ATOM 680 O LYS A 86 46.636 66.871 107.788 1.00 36.14 O +ATOM 681 CB LYS A 86 47.108 63.811 107.313 1.00 40.86 C +ATOM 682 CG LYS A 86 47.555 62.535 108.017 0.71 41.92 C +ATOM 683 CD LYS A 86 48.653 62.803 109.043 0.96 49.50 C +ATOM 684 CE LYS A 86 48.116 63.426 110.323 0.74 45.21 C +ATOM 685 NZ LYS A 86 49.155 63.451 111.402 1.00 59.20 N +ATOM 686 N LEU A 87 44.967 66.127 106.462 1.00 38.43 N +ATOM 687 CA LEU A 87 44.828 67.377 105.715 1.00 38.07 C +ATOM 688 C LEU A 87 43.714 68.247 106.274 1.00 41.29 C +ATOM 689 O LEU A 87 43.530 69.380 105.843 1.00 42.81 O +ATOM 690 CB LEU A 87 44.557 67.089 104.232 1.00 31.01 C +ATOM 691 CG LEU A 87 45.702 66.412 103.468 1.00 27.51 C +ATOM 692 CD1 LEU A 87 45.294 66.175 102.011 1.00 31.42 C +ATOM 693 CD2 LEU A 87 46.963 67.241 103.541 1.00 29.28 C +ATOM 694 N GLY A 88 42.958 67.701 107.216 1.00 38.19 N +ATOM 695 CA GLY A 88 41.892 68.444 107.856 1.00 42.21 C +ATOM 696 C GLY A 88 40.679 68.644 106.972 1.00 45.80 C +ATOM 697 O GLY A 88 40.071 69.714 106.985 1.00 46.16 O +ATOM 698 N LEU A 89 40.322 67.614 106.208 1.00 43.15 N +ATOM 699 CA LEU A 89 39.147 67.661 105.346 1.00 40.10 C +ATOM 700 C LEU A 89 37.934 67.110 106.082 1.00 39.18 C +ATOM 701 O LEU A 89 37.816 65.903 106.263 1.00 38.14 O +ATOM 702 CB LEU A 89 39.382 66.870 104.053 1.00 35.52 C +ATOM 703 CG LEU A 89 40.755 67.038 103.391 1.00 30.61 C +ATOM 704 CD1 LEU A 89 40.831 66.183 102.143 1.00 26.39 C +ATOM 705 CD2 LEU A 89 41.110 68.498 103.074 1.00 31.19 C +ATOM 706 N THR A 90 37.022 68.000 106.478 1.00 36.25 N +ATOM 707 CA THR A 90 35.864 67.633 107.301 1.00 37.48 C +ATOM 708 C THR A 90 34.536 67.786 106.576 1.00 44.80 C +ATOM 709 O THR A 90 33.605 66.998 106.776 1.00 43.59 O +ATOM 710 CB THR A 90 35.740 68.560 108.528 1.00 35.60 C +ATOM 711 OG1 THR A 90 37.040 68.987 108.958 1.00 55.12 O +ATOM 712 CG2 THR A 90 35.027 67.839 109.657 1.00 62.77 C +ATOM 713 N GLU A 91 34.443 68.826 105.757 1.00 36.77 N +ATOM 714 CA GLU A 91 33.168 69.238 105.193 1.00 38.21 C +ATOM 715 C GLU A 91 32.772 68.377 103.988 1.00 41.06 C +ATOM 716 O GLU A 91 33.430 68.386 102.949 1.00 38.90 O +ATOM 717 CB GLU A 91 33.227 70.730 104.836 1.00 44.93 C +ATOM 718 CG GLU A 91 31.892 71.353 104.445 1.00 53.59 C +ATOM 719 CD GLU A 91 30.955 71.572 105.627 1.00 56.17 C +ATOM 720 OE1 GLU A 91 31.421 71.546 106.789 1.00 47.32 O +ATOM 721 OE2 GLU A 91 29.745 71.771 105.383 1.00 61.03 O +ATOM 722 N GLU A 92 31.695 67.626 104.146 1.00 31.80 N +ATOM 723 CA GLU A 92 31.235 66.699 103.119 1.00 43.51 C +ATOM 724 C GLU A 92 31.116 67.350 101.742 1.00 41.50 C +ATOM 725 O GLU A 92 30.708 68.503 101.623 1.00 40.88 O +ATOM 726 CB GLU A 92 29.896 66.072 103.526 1.00 43.81 C +ATOM 727 CG GLU A 92 29.246 65.206 102.439 1.00 54.88 C +ATOM 728 CD GLU A 92 28.082 64.366 102.962 1.00 69.78 C +ATOM 729 OE1 GLU A 92 28.053 64.076 104.184 1.00 56.41 O +ATOM 730 OE2 GLU A 92 27.200 63.997 102.149 1.00 54.17 O +ATOM 731 N ASP A 93 31.487 66.600 100.710 1.00 34.58 N +ATOM 732 CA ASP A 93 31.344 67.050 99.330 1.00 34.36 C +ATOM 733 C ASP A 93 31.767 68.515 99.172 1.00 34.09 C +ATOM 734 O ASP A 93 31.015 69.319 98.631 1.00 33.38 O +ATOM 735 CB ASP A 93 29.893 66.848 98.875 1.00 30.77 C +ATOM 736 CG ASP A 93 29.742 66.827 97.352 1.00 46.77 C +ATOM 737 OD1 ASP A 93 28.592 66.925 96.867 1.00 46.81 O +ATOM 738 OD2 ASP A 93 30.765 66.700 96.640 1.00 34.80 O +ATOM 739 N SER A 94 32.964 68.852 99.656 1.00 30.12 N +ATOM 740 CA SER A 94 33.493 70.217 99.599 1.00 28.44 C +ATOM 741 C SER A 94 34.890 70.311 99.001 1.00 31.26 C +ATOM 742 O SER A 94 35.674 69.346 99.047 1.00 25.91 O +ATOM 743 CB SER A 94 33.515 70.834 100.989 1.00 36.58 C +ATOM 744 OG SER A 94 32.191 70.939 101.479 1.00 41.14 O +ATOM 745 N ILE A 95 35.199 71.483 98.453 1.00 25.92 N +ATOM 746 CA ILE A 95 36.503 71.748 97.843 1.00 24.90 C +ATOM 747 C ILE A 95 37.457 72.495 98.782 1.00 28.13 C +ATOM 748 O ILE A 95 37.121 73.563 99.310 1.00 28.50 O +ATOM 749 CB ILE A 95 36.352 72.549 96.521 1.00 23.19 C +ATOM 750 CG1 ILE A 95 35.599 71.724 95.477 1.00 21.03 C +ATOM 751 CG2 ILE A 95 37.721 72.964 95.986 1.00 24.41 C +ATOM 752 CD1 ILE A 95 35.354 72.465 94.167 1.00 24.47 C +ATOM 753 N TYR A 96 38.643 71.922 98.993 1.00 18.60 N +ATOM 754 CA TYR A 96 39.722 72.584 99.734 1.00 21.73 C +ATOM 755 C TYR A 96 40.863 72.961 98.802 1.00 26.14 C +ATOM 756 O TYR A 96 41.264 72.163 97.964 1.00 26.88 O +ATOM 757 CB TYR A 96 40.266 71.656 100.827 1.00 24.58 C +ATOM 758 CG TYR A 96 39.311 71.412 101.965 1.00 24.01 C +ATOM 759 CD1 TYR A 96 38.286 70.484 101.846 1.00 26.57 C +ATOM 760 CD2 TYR A 96 39.438 72.107 103.165 1.00 33.30 C +ATOM 761 CE1 TYR A 96 37.418 70.246 102.884 1.00 32.84 C +ATOM 762 CE2 TYR A 96 38.562 71.880 104.217 1.00 28.96 C +ATOM 763 CZ TYR A 96 37.557 70.946 104.069 1.00 34.38 C +ATOM 764 OH TYR A 96 36.674 70.693 105.096 1.00 38.32 O +ATOM 765 N VAL A 97 41.391 74.171 98.958 1.00 19.05 N +ATOM 766 CA VAL A 97 42.460 74.650 98.112 1.00 20.87 C +ATOM 767 C VAL A 97 43.705 74.912 98.933 1.00 23.87 C +ATOM 768 O VAL A 97 43.646 75.591 99.965 1.00 28.49 O +ATOM 769 CB VAL A 97 42.043 75.926 97.368 1.00 17.21 C +ATOM 770 CG1 VAL A 97 43.161 76.443 96.508 1.00 20.68 C +ATOM 771 CG2 VAL A 97 40.781 75.637 96.500 1.00 19.51 C +ATOM 772 N PHE A 98 44.828 74.366 98.474 1.00 20.44 N +ATOM 773 CA PHE A 98 46.097 74.465 99.186 1.00 25.99 C +ATOM 774 C PHE A 98 47.097 75.256 98.378 1.00 30.31 C +ATOM 775 O PHE A 98 47.278 75.013 97.186 1.00 28.87 O +ATOM 776 CB PHE A 98 46.681 73.070 99.450 1.00 25.09 C +ATOM 777 CG PHE A 98 45.848 72.235 100.357 1.00 24.04 C +ATOM 778 CD1 PHE A 98 44.811 71.480 99.858 1.00 24.78 C +ATOM 779 CD2 PHE A 98 46.090 72.210 101.715 1.00 32.12 C +ATOM 780 CE1 PHE A 98 44.033 70.716 100.692 1.00 24.50 C +ATOM 781 CE2 PHE A 98 45.312 71.444 102.550 1.00 26.20 C +ATOM 782 CZ PHE A 98 44.287 70.697 102.043 1.00 24.88 C +ATOM 783 N LYS A 99 47.756 76.198 99.042 1.00 24.39 N +ATOM 784 CA LYS A 99 48.849 76.943 98.452 1.00 24.67 C +ATOM 785 C LYS A 99 49.907 77.120 99.543 1.00 35.68 C +ATOM 786 O LYS A 99 49.656 77.771 100.567 1.00 32.68 O +ATOM 787 CB LYS A 99 48.369 78.309 97.936 1.00 26.37 C +ATOM 788 CG LYS A 99 49.448 79.100 97.211 1.00 25.00 C +ATOM 789 CD LYS A 99 49.043 80.550 96.941 1.00 24.39 C +ATOM 790 CE LYS A 99 50.183 81.352 96.327 1.00 22.82 C +ATOM 791 NZ LYS A 99 49.803 82.763 96.001 1.00 25.23 N +ATOM 792 N GLU A 100 51.075 76.516 99.342 1.00 46.76 N +ATOM 793 CA GLU A 100 52.135 76.567 100.352 1.00 42.56 C +ATOM 794 C GLU A 100 51.610 76.160 101.737 1.00 39.97 C +ATOM 795 O GLU A 100 51.182 75.020 101.936 1.00 50.38 O +ATOM 796 CB GLU A 100 52.734 77.971 100.400 1.00 51.28 C +ATOM 797 CG GLU A 100 53.355 78.412 99.084 1.00 52.10 C +ATOM 798 CD GLU A 100 53.359 79.921 98.910 1.00 58.30 C +ATOM 799 OE1 GLU A 100 52.811 80.628 99.787 1.00 58.58 O +ATOM 800 OE2 GLU A 100 53.900 80.397 97.886 1.00 57.82 O +ATOM 801 N ASP A 101 51.627 77.097 102.686 1.00 58.36 N +ATOM 802 CA ASP A 101 51.212 76.812 104.067 1.00 54.07 C +ATOM 803 C ASP A 101 49.812 77.311 104.413 1.00 55.16 C +ATOM 804 O ASP A 101 49.494 77.526 105.587 1.00 49.70 O +ATOM 805 CB ASP A 101 52.213 77.400 105.069 1.00 66.26 C +ATOM 806 CG ASP A 101 53.490 76.584 105.172 1.00 85.04 C +ATOM 807 OD1 ASP A 101 54.175 76.682 106.214 1.00 88.45 O +ATOM 808 OD2 ASP A 101 53.807 75.843 104.215 1.00 80.66 O +ATOM 809 N GLU A 102 48.976 77.497 103.399 1.00 50.89 N +ATOM 810 CA GLU A 102 47.614 77.962 103.627 1.00 40.40 C +ATOM 811 C GLU A 102 46.605 76.981 103.027 1.00 38.52 C +ATOM 812 O GLU A 102 46.783 76.482 101.919 1.00 33.48 O +ATOM 813 CB GLU A 102 47.409 79.375 103.048 1.00 50.36 C +ATOM 814 CG GLU A 102 48.343 80.470 103.613 1.00 51.37 C +ATOM 815 CD GLU A 102 47.945 80.957 105.010 1.00 55.47 C +ATOM 816 OE1 GLU A 102 48.849 81.346 105.786 1.00 63.10 O +ATOM 817 OE2 GLU A 102 46.733 80.961 105.331 1.00 48.64 O +ATOM 818 N VAL A 103 45.557 76.691 103.783 1.00 34.92 N +ATOM 819 CA VAL A 103 44.423 75.957 103.261 1.00 41.57 C +ATOM 820 C VAL A 103 43.268 76.937 103.153 1.00 39.67 C +ATOM 821 O VAL A 103 43.073 77.761 104.047 1.00 36.54 O +ATOM 822 CB VAL A 103 44.015 74.819 104.207 1.00 34.58 C +ATOM 823 CG1 VAL A 103 43.042 73.863 103.513 1.00 29.56 C +ATOM 824 CG2 VAL A 103 45.251 74.087 104.698 1.00 44.95 C +ATOM 825 N ILE A 104 42.523 76.855 102.055 1.00 31.67 N +ATOM 826 CA ILE A 104 41.275 77.611 101.881 1.00 37.56 C +ATOM 827 C ILE A 104 40.103 76.658 101.792 1.00 34.62 C +ATOM 828 O ILE A 104 40.134 75.704 101.004 1.00 32.84 O +ATOM 829 CB ILE A 104 41.256 78.381 100.570 1.00 42.56 C +ATOM 830 CG1 ILE A 104 42.347 79.445 100.551 1.00 38.23 C +ATOM 831 CG2 ILE A 104 39.849 78.977 100.331 1.00 36.86 C +ATOM 832 CD1 ILE A 104 42.402 80.210 99.252 1.00 35.12 C +ATOM 833 N GLU A 105 39.060 76.899 102.578 1.00 33.78 N +ATOM 834 CA GLU A 105 37.872 76.066 102.482 1.00 35.12 C +ATOM 835 C GLU A 105 36.852 76.728 101.557 1.00 40.81 C +ATOM 836 O GLU A 105 35.999 77.492 102.003 1.00 42.17 O +ATOM 837 CB GLU A 105 37.265 75.776 103.856 1.00 39.27 C +ATOM 838 CG GLU A 105 36.092 74.800 103.782 1.00 42.33 C +ATOM 839 CD GLU A 105 35.227 74.802 105.030 1.00 61.73 C +ATOM 840 OE1 GLU A 105 35.789 74.940 106.140 1.00 63.93 O +ATOM 841 OE2 GLU A 105 33.987 74.672 104.893 1.00 50.39 O +ATOM 842 N TYR A 106 36.965 76.428 100.265 1.00 30.51 N +ATOM 843 CA TYR A 106 36.124 77.010 99.222 1.00 27.91 C +ATOM 844 C TYR A 106 34.628 76.885 99.548 1.00 20.92 C +ATOM 845 O TYR A 106 34.140 75.830 99.950 1.00 30.70 O +ATOM 846 CB TYR A 106 36.448 76.370 97.863 1.00 26.68 C +ATOM 847 CG TYR A 106 35.733 76.991 96.687 1.00 18.27 C +ATOM 848 CD1 TYR A 106 36.074 78.256 96.223 1.00 22.31 C +ATOM 849 CD2 TYR A 106 34.706 76.315 96.042 1.00 25.78 C +ATOM 850 CE1 TYR A 106 35.417 78.828 95.147 1.00 25.91 C +ATOM 851 CE2 TYR A 106 34.057 76.871 94.960 1.00 21.14 C +ATOM 852 CZ TYR A 106 34.403 78.128 94.519 1.00 22.09 C +ATOM 853 OH TYR A 106 33.736 78.681 93.442 1.00 22.52 O +ATOM 854 N ASP A 107 33.912 77.987 99.394 1.00 29.24 N +ATOM 855 CA ASP A 107 32.509 78.013 99.773 1.00 31.29 C +ATOM 856 C ASP A 107 31.755 78.775 98.679 1.00 33.99 C +ATOM 857 O ASP A 107 30.856 79.575 98.959 1.00 27.51 O +ATOM 858 CB ASP A 107 32.354 78.649 101.163 1.00 29.85 C +ATOM 859 CG ASP A 107 31.233 78.018 101.986 1.00 39.37 C +ATOM 860 OD1 ASP A 107 30.604 77.040 101.520 1.00 38.44 O +ATOM 861 OD2 ASP A 107 30.978 78.505 103.114 1.00 34.97 O +ATOM 862 N GLY A 108 32.140 78.508 97.430 1.00 24.35 N +ATOM 863 CA GLY A 108 31.542 79.151 96.272 1.00 21.21 C +ATOM 864 C GLY A 108 30.919 78.186 95.273 1.00 23.49 C +ATOM 865 O GLY A 108 30.871 76.983 95.473 1.00 19.34 O +ATOM 866 N GLU A 109 30.460 78.748 94.168 1.00 17.41 N +ATOM 867 CA GLU A 109 29.776 78.025 93.124 1.00 17.04 C +ATOM 868 C GLU A 109 30.680 76.924 92.560 1.00 20.33 C +ATOM 869 O GLU A 109 31.859 77.153 92.315 1.00 19.73 O +ATOM 870 CB GLU A 109 29.422 79.039 92.041 1.00 18.59 C +ATOM 871 CG GLU A 109 28.570 78.557 90.910 1.00 24.05 C +ATOM 872 CD GLU A 109 28.352 79.678 89.913 1.00 23.86 C +ATOM 873 OE1 GLU A 109 27.369 80.407 90.068 1.00 24.25 O +ATOM 874 OE2 GLU A 109 29.199 79.876 89.019 1.00 26.57 O +ATOM 875 N PHE A 110 30.109 75.742 92.362 1.00 18.38 N +ATOM 876 CA PHE A 110 30.840 74.594 91.824 1.00 19.27 C +ATOM 877 C PHE A 110 30.648 74.621 90.318 1.00 19.11 C +ATOM 878 O PHE A 110 29.894 73.821 89.761 1.00 18.97 O +ATOM 879 CB PHE A 110 30.288 73.280 92.401 1.00 21.15 C +ATOM 880 CG PHE A 110 31.278 72.126 92.373 1.00 22.51 C +ATOM 881 CD1 PHE A 110 32.033 71.856 91.228 1.00 21.34 C +ATOM 882 CD2 PHE A 110 31.453 71.321 93.492 1.00 25.82 C +ATOM 883 CE1 PHE A 110 32.960 70.805 91.202 1.00 21.15 C +ATOM 884 CE2 PHE A 110 32.345 70.252 93.473 1.00 21.09 C +ATOM 885 CZ PHE A 110 33.115 69.999 92.326 1.00 22.57 C +ATOM 886 N SER A 111 31.310 75.574 89.665 1.00 15.44 N +ATOM 887 CA SER A 111 31.291 75.645 88.214 1.00 16.61 C +ATOM 888 C SER A 111 32.716 75.840 87.723 1.00 15.47 C +ATOM 889 O SER A 111 33.575 76.381 88.443 1.00 15.80 O +ATOM 890 CB SER A 111 30.428 76.811 87.733 1.00 21.28 C +ATOM 891 OG SER A 111 31.008 78.036 88.149 1.00 27.84 O +ATOM 892 N ALA A 112 32.967 75.395 86.504 1.00 14.35 N +ATOM 893 CA ALA A 112 34.304 75.527 85.933 1.00 18.66 C +ATOM 894 C ALA A 112 34.712 76.992 85.869 1.00 19.48 C +ATOM 895 O ALA A 112 35.799 77.338 86.282 1.00 15.55 O +ATOM 896 CB ALA A 112 34.375 74.887 84.551 1.00 21.01 C +ATOM 897 N ASP A 113 33.859 77.858 85.341 1.00 17.23 N +ATOM 898 CA AASP A 113 34.134 79.305 85.258 0.55 19.14 C +ATOM 899 CA BASP A 113 34.319 79.235 85.219 0.45 18.90 C +ATOM 900 C ASP A 113 34.624 79.882 86.572 1.00 19.22 C +ATOM 901 O ASP A 113 35.631 80.578 86.669 1.00 18.91 O +ATOM 902 CB AASP A 113 32.838 80.054 84.919 0.55 20.64 C +ATOM 903 CB BASP A 113 33.408 80.102 84.344 0.45 22.09 C +ATOM 904 CG AASP A 113 32.497 80.004 83.459 0.55 25.39 C +ATOM 905 CG BASP A 113 31.978 80.024 84.756 0.45 19.53 C +ATOM 906 OD1AASP A 113 31.449 80.576 83.080 0.55 26.50 O +ATOM 907 OD1BASP A 113 31.728 79.539 85.876 0.45 22.35 O +ATOM 908 OD2AASP A 113 33.273 79.403 82.690 0.55 19.90 O +ATOM 909 OD2BASP A 113 31.109 80.439 83.958 0.45 27.65 O +ATOM 910 N THR A 114 33.833 79.616 87.604 1.00 17.56 N +ATOM 911 CA THR A 114 34.059 80.226 88.908 1.00 17.00 C +ATOM 912 C THR A 114 35.308 79.673 89.578 1.00 20.75 C +ATOM 913 O THR A 114 36.123 80.427 90.119 1.00 16.37 O +ATOM 914 CB THR A 114 32.814 80.090 89.810 1.00 18.32 C +ATOM 915 OG1 THR A 114 31.730 80.797 89.192 1.00 22.49 O +ATOM 916 CG2 THR A 114 33.071 80.697 91.191 1.00 21.35 C +ATOM 917 N LEU A 115 35.472 78.358 89.507 1.00 18.63 N +ATOM 918 CA LEU A 115 36.643 77.713 90.074 1.00 18.32 C +ATOM 919 C LEU A 115 37.932 78.166 89.395 1.00 14.13 C +ATOM 920 O LEU A 115 38.928 78.440 90.071 1.00 14.89 O +ATOM 921 CB LEU A 115 36.491 76.189 90.026 1.00 15.28 C +ATOM 922 CG LEU A 115 35.628 75.603 91.146 1.00 20.37 C +ATOM 923 CD1 LEU A 115 35.263 74.147 90.860 1.00 29.34 C +ATOM 924 CD2 LEU A 115 36.360 75.719 92.490 1.00 27.71 C +ATOM 925 N VAL A 116 37.919 78.248 88.068 1.00 16.37 N +ATOM 926 CA VAL A 116 39.112 78.694 87.345 1.00 15.38 C +ATOM 927 C VAL A 116 39.467 80.137 87.713 1.00 19.50 C +ATOM 928 O VAL A 116 40.619 80.429 88.018 1.00 16.86 O +ATOM 929 CB VAL A 116 38.963 78.521 85.810 1.00 18.90 C +ATOM 930 CG1 VAL A 116 40.068 79.296 85.056 1.00 17.06 C +ATOM 931 CG2 VAL A 116 38.971 77.038 85.451 1.00 16.12 C +ATOM 932 N GLU A 117 38.483 81.031 87.713 1.00 17.41 N +ATOM 933 CA GLU A 117 38.778 82.420 88.099 1.00 25.22 C +ATOM 934 C GLU A 117 39.349 82.479 89.516 1.00 19.44 C +ATOM 935 O GLU A 117 40.353 83.166 89.777 1.00 20.05 O +ATOM 936 CB GLU A 117 37.530 83.314 87.986 1.00 20.43 C +ATOM 937 CG GLU A 117 37.035 83.478 86.568 1.00 30.19 C +ATOM 938 CD GLU A 117 36.153 84.701 86.404 1.00 51.33 C +ATOM 939 OE1 GLU A 117 35.153 84.620 85.660 1.00 40.67 O +ATOM 940 OE2 GLU A 117 36.467 85.743 87.021 1.00 63.65 O +ATOM 941 N PHE A 118 38.715 81.741 90.425 1.00 17.86 N +ATOM 942 CA PHE A 118 39.178 81.662 91.808 1.00 15.43 C +ATOM 943 C PHE A 118 40.626 81.175 91.918 1.00 19.09 C +ATOM 944 O PHE A 118 41.463 81.800 92.574 1.00 19.68 O +ATOM 945 CB PHE A 118 38.230 80.787 92.655 1.00 16.49 C +ATOM 946 CG PHE A 118 38.580 80.776 94.122 1.00 16.98 C +ATOM 947 CD1 PHE A 118 38.353 81.893 94.908 1.00 19.75 C +ATOM 948 CD2 PHE A 118 39.177 79.663 94.705 1.00 19.51 C +ATOM 949 CE1 PHE A 118 38.687 81.886 96.264 1.00 21.31 C +ATOM 950 CE2 PHE A 118 39.514 79.652 96.050 1.00 19.29 C +ATOM 951 CZ PHE A 118 39.274 80.770 96.828 1.00 24.01 C +ATOM 952 N LEU A 119 40.938 80.061 91.265 1.00 19.09 N +ATOM 953 CA LEU A 119 42.286 79.505 91.372 1.00 16.29 C +ATOM 954 C LEU A 119 43.325 80.417 90.727 1.00 18.34 C +ATOM 955 O LEU A 119 44.453 80.506 91.207 1.00 20.80 O +ATOM 956 CB LEU A 119 42.326 78.095 90.773 1.00 18.95 C +ATOM 957 CG LEU A 119 41.476 77.148 91.624 1.00 17.38 C +ATOM 958 CD1 LEU A 119 41.126 75.872 90.883 1.00 16.19 C +ATOM 959 CD2 LEU A 119 42.195 76.845 92.956 1.00 19.61 C +ATOM 960 N LEU A 120 42.952 81.095 89.641 1.00 18.09 N +ATOM 961 CA LEU A 120 43.835 82.122 89.065 1.00 19.70 C +ATOM 962 C LEU A 120 44.121 83.234 90.088 1.00 20.07 C +ATOM 963 O LEU A 120 45.252 83.729 90.197 1.00 17.64 O +ATOM 964 CB LEU A 120 43.245 82.693 87.775 1.00 19.83 C +ATOM 965 CG LEU A 120 43.323 81.730 86.576 1.00 23.08 C +ATOM 966 CD1 LEU A 120 42.435 82.175 85.414 1.00 20.75 C +ATOM 967 CD2 LEU A 120 44.765 81.585 86.120 1.00 24.06 C +ATOM 968 N ASP A 121 43.099 83.622 90.843 1.00 17.26 N +ATOM 969 CA ASP A 121 43.295 84.582 91.935 1.00 22.59 C +ATOM 970 C ASP A 121 44.181 84.005 93.046 1.00 20.97 C +ATOM 971 O ASP A 121 45.027 84.699 93.602 1.00 20.00 O +ATOM 972 CB ASP A 121 41.953 85.033 92.529 1.00 23.04 C +ATOM 973 CG ASP A 121 41.135 85.869 91.563 1.00 23.55 C +ATOM 974 OD1 ASP A 121 41.708 86.458 90.619 1.00 21.38 O +ATOM 975 OD2 ASP A 121 39.911 85.932 91.761 1.00 22.25 O +ATOM 976 N VAL A 122 43.995 82.734 93.383 1.00 16.01 N +ATOM 977 CA VAL A 122 44.851 82.126 94.406 1.00 26.33 C +ATOM 978 C VAL A 122 46.344 82.185 94.005 1.00 23.30 C +ATOM 979 O VAL A 122 47.236 82.468 94.828 1.00 19.08 O +ATOM 980 CB VAL A 122 44.430 80.659 94.696 1.00 21.80 C +ATOM 981 CG1 VAL A 122 45.424 79.979 95.627 1.00 19.98 C +ATOM 982 CG2 VAL A 122 43.039 80.613 95.309 1.00 21.10 C +ATOM 983 N LEU A 123 46.609 81.923 92.733 1.00 21.36 N +ATOM 984 CA LEU A 123 47.981 81.922 92.226 1.00 21.59 C +ATOM 985 C LEU A 123 48.706 83.257 92.397 1.00 31.42 C +ATOM 986 O LEU A 123 49.935 83.297 92.514 1.00 25.74 O +ATOM 987 CB LEU A 123 47.999 81.524 90.755 1.00 21.39 C +ATOM 988 CG LEU A 123 47.897 80.037 90.411 1.00 24.53 C +ATOM 989 CD1 LEU A 123 47.604 79.882 88.927 1.00 24.43 C +ATOM 990 CD2 LEU A 123 49.170 79.273 90.795 1.00 24.97 C +ATOM 991 N GLU A 124 47.954 84.348 92.391 1.00 23.83 N +ATOM 992 CA GLU A 124 48.544 85.679 92.487 1.00 29.72 C +ATOM 993 C GLU A 124 49.183 85.923 93.855 1.00 23.81 C +ATOM 994 O GLU A 124 48.772 85.330 94.856 1.00 23.21 O +ATOM 995 CB GLU A 124 47.485 86.753 92.210 1.00 25.50 C +ATOM 996 CG GLU A 124 47.014 86.798 90.774 1.00 23.90 C +ATOM 997 CD GLU A 124 48.162 87.044 89.798 1.00 48.59 C +ATOM 998 OE1 GLU A 124 48.911 88.022 89.992 1.00 39.87 O +ATOM 999 OE2 GLU A 124 48.328 86.252 88.842 1.00 49.55 O +ATOM 1000 N ASP A 125 50.173 86.812 93.903 1.00 25.85 N +ATOM 1001 CA ASP A 125 50.782 87.190 95.180 1.00 21.38 C +ATOM 1002 C ASP A 125 49.737 87.848 96.070 1.00 23.81 C +ATOM 1003 O ASP A 125 48.853 88.534 95.577 1.00 23.47 O +ATOM 1004 CB ASP A 125 51.963 88.150 94.965 1.00 27.91 C +ATOM 1005 CG ASP A 125 53.156 87.473 94.324 1.00 35.28 C +ATOM 1006 OD1 ASP A 125 53.209 86.227 94.347 1.00 30.81 O +ATOM 1007 OD2 ASP A 125 54.039 88.184 93.803 1.00 34.49 O +ATOM 1008 N PRO A 126 49.839 87.642 97.392 1.00 24.80 N +ATOM 1009 CA PRO A 126 48.791 88.086 98.323 1.00 23.46 C +ATOM 1010 C PRO A 126 48.694 89.604 98.506 1.00 26.80 C +ATOM 1011 O PRO A 126 47.628 90.087 98.864 1.00 24.28 O +ATOM 1012 CB PRO A 126 49.196 87.427 99.647 1.00 26.86 C +ATOM 1013 CG PRO A 126 50.691 87.282 99.538 1.00 33.97 C +ATOM 1014 CD PRO A 126 50.937 86.945 98.079 1.00 26.29 C +ATOM 1015 N VAL A 127 49.780 90.347 98.308 1.00 22.79 N +ATOM 1016 CA VAL A 127 49.702 91.802 98.432 1.00 24.42 C +ATOM 1017 C VAL A 127 49.886 92.461 97.076 1.00 23.06 C +ATOM 1018 O VAL A 127 50.796 92.113 96.329 1.00 22.52 O +ATOM 1019 CB VAL A 127 50.740 92.348 99.457 1.00 19.22 C +ATOM 1020 CG1 VAL A 127 50.770 93.898 99.449 1.00 18.97 C +ATOM 1021 CG2 VAL A 127 50.426 91.810 100.844 1.00 18.54 C +ATOM 1022 N GLU A 128 49.006 93.401 96.749 1.00 20.06 N +ATOM 1023 CA GLU A 128 49.169 94.185 95.543 1.00 24.16 C +ATOM 1024 C GLU A 128 49.829 95.524 95.854 1.00 26.88 C +ATOM 1025 O GLU A 128 49.331 96.326 96.636 1.00 18.93 O +ATOM 1026 CB GLU A 128 47.836 94.381 94.812 1.00 27.10 C +ATOM 1027 CG GLU A 128 47.190 93.066 94.429 1.00 38.95 C +ATOM 1028 CD GLU A 128 45.808 93.247 93.842 1.00 54.68 C +ATOM 1029 OE1 GLU A 128 45.701 94.012 92.859 1.00 51.18 O +ATOM 1030 OE2 GLU A 128 44.841 92.632 94.368 1.00 50.41 O +ATOM 1031 N LEU A 129 50.979 95.753 95.243 1.00 21.63 N +ATOM 1032 CA ALEU A 129 51.717 96.991 95.458 0.57 26.21 C +ATOM 1033 CA BLEU A 129 51.704 96.992 95.478 0.43 26.22 C +ATOM 1034 C LEU A 129 51.192 98.079 94.539 1.00 29.01 C +ATOM 1035 O LEU A 129 50.926 97.825 93.367 1.00 33.62 O +ATOM 1036 CB ALEU A 129 53.208 96.777 95.184 0.57 29.58 C +ATOM 1037 CB BLEU A 129 53.208 96.765 95.295 0.43 29.53 C +ATOM 1038 CG ALEU A 129 54.041 95.923 96.141 0.57 31.69 C +ATOM 1039 CG BLEU A 129 54.190 97.777 95.896 0.43 29.29 C +ATOM 1040 CD1ALEU A 129 54.054 96.548 97.526 0.57 26.68 C +ATOM 1041 CD1BLEU A 129 54.020 99.132 95.263 0.43 36.98 C +ATOM 1042 CD2ALEU A 129 53.557 94.490 96.202 0.57 34.23 C +ATOM 1043 CD2BLEU A 129 54.036 97.871 97.401 0.43 27.11 C +ATOM 1044 N ILE A 130 51.046 99.288 95.071 1.00 24.08 N +ATOM 1045 CA ILE A 130 50.615 100.438 94.286 1.00 25.38 C +ATOM 1046 C ILE A 130 51.796 101.376 94.010 1.00 40.01 C +ATOM 1047 O ILE A 130 52.335 102.007 94.927 1.00 39.63 O +ATOM 1048 CB ILE A 130 49.510 101.237 95.007 1.00 28.69 C +ATOM 1049 CG1 ILE A 130 48.204 100.430 95.056 1.00 29.62 C +ATOM 1050 CG2 ILE A 130 49.278 102.582 94.314 1.00 31.46 C +ATOM 1051 CD1 ILE A 130 47.145 101.037 95.949 1.00 31.43 C +ATOM 1052 N GLU A 131 52.193 101.467 92.747 1.00 38.67 N +ATOM 1053 CA GLU A 131 53.255 102.393 92.351 1.00 45.15 C +ATOM 1054 C GLU A 131 52.740 103.496 91.423 1.00 51.39 C +ATOM 1055 O GLU A 131 52.922 104.686 91.698 1.00 56.38 O +ATOM 1056 CB GLU A 131 54.396 101.634 91.674 1.00 57.52 C +ATOM 1057 CG GLU A 131 55.072 100.613 92.575 1.00 55.35 C +ATOM 1058 CD GLU A 131 55.941 99.641 91.809 1.00 60.08 C +ATOM 1059 OE1 GLU A 131 56.001 98.457 92.203 1.00 55.96 O +ATOM 1060 OE2 GLU A 131 56.570 100.062 90.815 1.00 74.38 O +ATOM 1061 N GLY A 132 52.092 103.097 90.329 1.00 35.31 N +ATOM 1062 CA GLY A 132 51.668 104.038 89.303 1.00 44.47 C +ATOM 1063 C GLY A 132 50.313 104.678 89.538 1.00 49.21 C +ATOM 1064 O GLY A 132 49.564 104.286 90.442 1.00 35.12 O +ATOM 1065 N GLU A 133 49.995 105.679 88.724 1.00 36.55 N +ATOM 1066 CA GLU A 133 48.686 106.313 88.799 1.00 44.38 C +ATOM 1067 C GLU A 133 47.601 105.337 88.365 1.00 36.20 C +ATOM 1068 O GLU A 133 46.525 105.309 88.951 1.00 39.55 O +ATOM 1069 CB GLU A 133 48.638 107.594 87.964 1.00 45.97 C +ATOM 1070 CG GLU A 133 48.619 108.864 88.807 1.00 55.76 C +ATOM 1071 CD GLU A 133 47.329 109.023 89.609 1.00 62.69 C +ATOM 1072 OE1 GLU A 133 46.274 108.519 89.160 1.00 62.47 O +ATOM 1073 OE2 GLU A 133 47.368 109.654 90.690 1.00 59.84 O +ATOM 1074 N ARG A 134 47.892 104.524 87.352 1.00 36.60 N +ATOM 1075 CA ARG A 134 46.943 103.509 86.913 1.00 43.67 C +ATOM 1076 C ARG A 134 46.524 102.626 88.095 1.00 33.38 C +ATOM 1077 O ARG A 134 45.336 102.420 88.338 1.00 27.87 O +ATOM 1078 CB ARG A 134 47.536 102.651 85.787 1.00 41.66 C +ATOM 1079 CG ARG A 134 46.633 101.502 85.338 1.00 47.08 C +ATOM 1080 CD ARG A 134 47.230 100.696 84.174 1.00 47.46 C +ATOM 1081 NE ARG A 134 47.117 101.398 82.895 1.00 39.45 N +ATOM 1082 CZ ARG A 134 48.141 101.908 82.218 1.00 55.52 C +ATOM 1083 NH1 ARG A 134 49.380 101.788 82.686 1.00 48.92 N +ATOM 1084 NH2 ARG A 134 47.924 102.536 81.066 1.00 51.39 N +ATOM 1085 N GLU A 135 47.508 102.118 88.826 1.00 30.38 N +ATOM 1086 CA GLU A 135 47.248 101.202 89.933 1.00 33.33 C +ATOM 1087 C GLU A 135 46.518 101.858 91.097 1.00 29.04 C +ATOM 1088 O GLU A 135 45.654 101.239 91.705 1.00 30.44 O +ATOM 1089 CB GLU A 135 48.548 100.570 90.421 1.00 34.04 C +ATOM 1090 CG GLU A 135 49.265 99.765 89.364 1.00 39.07 C +ATOM 1091 CD GLU A 135 50.562 99.186 89.874 1.00 53.09 C +ATOM 1092 OE1 GLU A 135 50.863 98.026 89.519 1.00 58.06 O +ATOM 1093 OE2 GLU A 135 51.276 99.892 90.630 1.00 48.63 O +ATOM 1094 N LEU A 136 46.868 103.099 91.416 1.00 29.49 N +ATOM 1095 CA LEU A 136 46.171 103.833 92.472 1.00 26.65 C +ATOM 1096 C LEU A 136 44.713 104.042 92.093 1.00 34.51 C +ATOM 1097 O LEU A 136 43.799 103.813 92.894 1.00 27.31 O +ATOM 1098 CB LEU A 136 46.834 105.190 92.726 1.00 29.77 C +ATOM 1099 CG LEU A 136 46.077 106.135 93.668 1.00 25.04 C +ATOM 1100 CD1 LEU A 136 45.967 105.545 95.066 1.00 32.13 C +ATOM 1101 CD2 LEU A 136 46.746 107.523 93.722 1.00 39.44 C +ATOM 1102 N GLN A 137 44.499 104.484 90.861 1.00 25.59 N +ATOM 1103 CA GLN A 137 43.148 104.696 90.375 1.00 32.44 C +ATOM 1104 C GLN A 137 42.346 103.410 90.472 1.00 28.84 C +ATOM 1105 O GLN A 137 41.187 103.427 90.891 1.00 27.58 O +ATOM 1106 CB GLN A 137 43.165 105.198 88.934 1.00 32.24 C +ATOM 1107 CG GLN A 137 43.356 106.681 88.849 1.00 46.56 C +ATOM 1108 CD GLN A 137 42.445 107.405 89.814 1.00 60.34 C +ATOM 1109 OE1 GLN A 137 41.227 107.167 89.838 1.00 54.07 O +ATOM 1110 NE2 GLN A 137 43.028 108.278 90.638 1.00 52.77 N +ATOM 1111 N ALA A 138 42.956 102.303 90.061 1.00 30.44 N +ATOM 1112 CA ALA A 138 42.293 101.009 90.147 1.00 29.45 C +ATOM 1113 C ALA A 138 41.901 100.708 91.591 1.00 27.88 C +ATOM 1114 O ALA A 138 40.779 100.269 91.864 1.00 24.72 O +ATOM 1115 CB ALA A 138 43.171 99.935 89.609 1.00 30.06 C +ATOM 1116 N PHE A 139 42.820 100.946 92.515 1.00 25.68 N +ATOM 1117 CA PHE A 139 42.506 100.739 93.932 1.00 25.18 C +ATOM 1118 C PHE A 139 41.324 101.602 94.355 1.00 23.44 C +ATOM 1119 O PHE A 139 40.378 101.137 95.001 1.00 21.22 O +ATOM 1120 CB PHE A 139 43.696 101.068 94.839 1.00 22.97 C +ATOM 1121 CG PHE A 139 43.313 101.160 96.285 1.00 22.45 C +ATOM 1122 CD1 PHE A 139 43.174 100.004 97.050 1.00 17.39 C +ATOM 1123 CD2 PHE A 139 43.031 102.387 96.865 1.00 22.73 C +ATOM 1124 CE1 PHE A 139 42.791 100.078 98.385 1.00 18.13 C +ATOM 1125 CE2 PHE A 139 42.637 102.472 98.195 1.00 22.43 C +ATOM 1126 CZ PHE A 139 42.511 101.313 98.955 1.00 18.41 C +ATOM 1127 N GLU A 140 41.385 102.881 94.020 1.00 23.50 N +ATOM 1128 CA GLU A 140 40.309 103.783 94.413 1.00 23.86 C +ATOM 1129 C GLU A 140 38.962 103.342 93.828 1.00 26.79 C +ATOM 1130 O GLU A 140 37.929 103.476 94.476 1.00 26.36 O +ATOM 1131 CB GLU A 140 40.651 105.232 94.044 1.00 30.63 C +ATOM 1132 CG GLU A 140 41.813 105.803 94.853 1.00 31.93 C +ATOM 1133 CD GLU A 140 42.314 107.157 94.336 1.00 45.22 C +ATOM 1134 OE1 GLU A 140 42.241 107.412 93.113 1.00 42.19 O +ATOM 1135 OE2 GLU A 140 42.793 107.965 95.161 1.00 50.09 O +ATOM 1136 N ASN A 141 38.968 102.773 92.628 1.00 23.78 N +ATOM 1137 CA ASN A 141 37.699 102.365 91.995 1.00 32.57 C +ATOM 1138 C ASN A 141 37.019 101.097 92.555 1.00 29.41 C +ATOM 1139 O ASN A 141 35.850 100.835 92.274 1.00 26.18 O +ATOM 1140 CB ASN A 141 37.859 102.256 90.474 1.00 31.66 C +ATOM 1141 CG ASN A 141 38.049 103.612 89.813 1.00 48.48 C +ATOM 1142 OD1 ASN A 141 37.603 104.638 90.334 1.00 48.79 O +ATOM 1143 ND2 ASN A 141 38.707 103.623 88.657 1.00 45.75 N +ATOM 1144 N ILE A 142 37.735 100.318 93.355 1.00 22.11 N +ATOM 1145 CA ILE A 142 37.132 99.155 93.992 1.00 18.81 C +ATOM 1146 C ILE A 142 36.088 99.565 95.035 1.00 20.43 C +ATOM 1147 O ILE A 142 36.394 100.342 95.929 1.00 24.54 O +ATOM 1148 CB ILE A 142 38.194 98.294 94.697 1.00 16.91 C +ATOM 1149 CG1 ILE A 142 39.198 97.745 93.682 1.00 23.41 C +ATOM 1150 CG2 ILE A 142 37.531 97.162 95.485 1.00 16.71 C +ATOM 1151 CD1 ILE A 142 40.326 96.977 94.311 1.00 24.10 C +ATOM 1152 N GLU A 143 34.858 99.059 94.916 1.00 19.34 N +ATOM 1153 CA GLU A 143 33.866 99.281 95.971 1.00 24.33 C +ATOM 1154 C GLU A 143 33.057 98.058 96.385 1.00 20.92 C +ATOM 1155 O GLU A 143 32.472 98.056 97.462 1.00 22.95 O +ATOM 1156 CB GLU A 143 32.926 100.430 95.622 1.00 29.51 C +ATOM 1157 CG GLU A 143 32.227 100.255 94.313 1.00 32.25 C +ATOM 1158 CD GLU A 143 31.427 101.483 93.938 0.34 36.36 C +ATOM 1159 OE1 GLU A 143 30.322 101.640 94.479 1.00 31.99 O +ATOM 1160 OE2 GLU A 143 31.904 102.299 93.120 1.00 51.61 O +ATOM 1161 N ASP A 144 33.055 96.999 95.581 1.00 17.71 N +ATOM 1162 CA ASP A 144 32.144 95.887 95.868 1.00 20.08 C +ATOM 1163 C ASP A 144 32.736 94.812 96.760 1.00 25.46 C +ATOM 1164 O ASP A 144 32.166 93.731 96.938 1.00 23.67 O +ATOM 1165 CB ASP A 144 31.543 95.303 94.583 1.00 21.65 C +ATOM 1166 CG ASP A 144 32.535 94.505 93.761 1.00 29.02 C +ATOM 1167 OD1 ASP A 144 33.559 94.047 94.305 1.00 24.52 O +ATOM 1168 OD2 ASP A 144 32.251 94.304 92.565 1.00 23.18 O +ATOM 1169 N GLU A 145 33.894 95.121 97.330 1.00 22.04 N +ATOM 1170 CA GLU A 145 34.494 94.255 98.314 1.00 21.57 C +ATOM 1171 C GLU A 145 35.249 95.130 99.313 1.00 17.63 C +ATOM 1172 O GLU A 145 35.614 96.276 99.013 1.00 17.34 O +ATOM 1173 CB GLU A 145 35.451 93.251 97.651 1.00 21.57 C +ATOM 1174 CG GLU A 145 36.600 93.928 96.887 1.00 24.74 C +ATOM 1175 CD GLU A 145 37.365 92.977 95.951 1.00 29.32 C +ATOM 1176 OE1 GLU A 145 37.270 91.755 96.137 1.00 35.94 O +ATOM 1177 OE2 GLU A 145 38.069 93.468 95.036 1.00 29.38 O +ATOM 1178 N ILE A 146 35.431 94.583 100.503 1.00 15.82 N +ATOM 1179 CA ILE A 146 36.354 95.118 101.498 1.00 16.79 C +ATOM 1180 C ILE A 146 37.742 95.193 100.884 1.00 21.15 C +ATOM 1181 O ILE A 146 38.124 94.308 100.107 1.00 18.59 O +ATOM 1182 CB ILE A 146 36.384 94.155 102.705 1.00 17.49 C +ATOM 1183 CG1 ILE A 146 35.026 94.214 103.439 1.00 20.53 C +ATOM 1184 CG2 ILE A 146 37.597 94.422 103.625 1.00 17.63 C +ATOM 1185 CD1 ILE A 146 34.728 92.988 104.289 1.00 22.98 C +ATOM 1186 N LYS A 147 38.500 96.236 101.229 1.00 16.48 N +ATOM 1187 CA LYS A 147 39.898 96.334 100.784 1.00 16.61 C +ATOM 1188 C LYS A 147 40.712 96.999 101.884 1.00 15.81 C +ATOM 1189 O LYS A 147 40.177 97.776 102.674 1.00 16.19 O +ATOM 1190 CB LYS A 147 40.003 97.150 99.490 1.00 15.94 C +ATOM 1191 CG LYS A 147 39.458 98.591 99.610 1.00 16.29 C +ATOM 1192 CD LYS A 147 39.286 99.269 98.257 1.00 16.33 C +ATOM 1193 CE LYS A 147 38.788 100.714 98.418 1.00 22.01 C +ATOM 1194 NZ LYS A 147 38.608 101.420 97.116 1.00 20.51 N +ATOM 1195 N LEU A 148 41.995 96.668 101.953 1.00 13.45 N +ATOM 1196 CA LEU A 148 42.861 97.282 102.958 1.00 15.98 C +ATOM 1197 C LEU A 148 44.036 97.888 102.230 1.00 16.09 C +ATOM 1198 O LEU A 148 44.474 97.346 101.219 1.00 17.18 O +ATOM 1199 CB LEU A 148 43.375 96.231 103.935 1.00 15.22 C +ATOM 1200 CG LEU A 148 42.384 95.789 105.016 1.00 18.93 C +ATOM 1201 CD1 LEU A 148 41.467 94.657 104.540 1.00 16.31 C +ATOM 1202 CD2 LEU A 148 43.146 95.371 106.234 1.00 17.77 C +ATOM 1203 N ILE A 149 44.560 98.997 102.741 1.00 14.58 N +ATOM 1204 CA ILE A 149 45.746 99.595 102.132 1.00 13.97 C +ATOM 1205 C ILE A 149 46.668 100.075 103.251 1.00 18.90 C +ATOM 1206 O ILE A 149 46.218 100.735 104.187 1.00 19.23 O +ATOM 1207 CB ILE A 149 45.374 100.757 101.157 1.00 15.20 C +ATOM 1208 CG1 ILE A 149 46.624 101.446 100.590 1.00 25.33 C +ATOM 1209 CG2 ILE A 149 44.527 101.839 101.859 1.00 16.41 C +ATOM 1210 CD1 ILE A 149 47.432 100.620 99.666 1.00 26.95 C +ATOM 1211 N GLY A 150 47.940 99.695 103.189 1.00 15.41 N +ATOM 1212 CA GLY A 150 48.905 100.190 104.158 1.00 15.24 C +ATOM 1213 C GLY A 150 50.067 100.902 103.483 1.00 17.15 C +ATOM 1214 O GLY A 150 50.397 100.620 102.343 1.00 17.76 O +ATOM 1215 N TYR A 151 50.683 101.827 104.212 1.00 17.60 N +ATOM 1216 CA TYR A 151 51.879 102.531 103.758 1.00 15.83 C +ATOM 1217 C TYR A 151 53.033 102.086 104.645 1.00 13.57 C +ATOM 1218 O TYR A 151 52.958 102.215 105.874 1.00 15.68 O +ATOM 1219 CB TYR A 151 51.650 104.036 103.907 1.00 16.46 C +ATOM 1220 CG TYR A 151 52.876 104.897 103.728 1.00 20.13 C +ATOM 1221 CD1 TYR A 151 53.890 104.542 102.832 1.00 18.16 C +ATOM 1222 CD2 TYR A 151 53.030 106.066 104.466 1.00 22.13 C +ATOM 1223 CE1 TYR A 151 55.010 105.334 102.677 1.00 24.17 C +ATOM 1224 CE2 TYR A 151 54.151 106.870 104.312 1.00 22.61 C +ATOM 1225 CZ TYR A 151 55.133 106.504 103.414 1.00 31.77 C +ATOM 1226 OH TYR A 151 56.255 107.301 103.266 1.00 28.94 O +ATOM 1227 N PHE A 152 54.092 101.557 104.030 1.00 16.67 N +ATOM 1228 CA PHE A 152 55.267 101.080 104.762 1.00 15.46 C +ATOM 1229 C PHE A 152 56.567 101.594 104.109 1.00 16.91 C +ATOM 1230 O PHE A 152 56.558 102.083 102.989 1.00 18.59 O +ATOM 1231 CB PHE A 152 55.267 99.550 104.831 1.00 14.34 C +ATOM 1232 CG PHE A 152 53.960 98.962 105.321 1.00 16.68 C +ATOM 1233 CD1 PHE A 152 53.673 98.913 106.673 1.00 20.16 C +ATOM 1234 CD2 PHE A 152 53.011 98.495 104.419 1.00 16.69 C +ATOM 1235 CE1 PHE A 152 52.472 98.391 107.125 1.00 17.86 C +ATOM 1236 CE2 PHE A 152 51.820 97.953 104.864 1.00 17.35 C +ATOM 1237 CZ PHE A 152 51.545 97.903 106.213 1.00 18.58 C +ATOM 1238 N LYS A 153 57.672 101.508 104.835 1.00 20.25 N +ATOM 1239 CA LYS A 153 58.931 102.072 104.354 1.00 17.51 C +ATOM 1240 C LYS A 153 59.370 101.397 103.054 1.00 17.65 C +ATOM 1241 O LYS A 153 59.714 102.065 102.072 1.00 20.60 O +ATOM 1242 CB LYS A 153 60.006 101.933 105.439 1.00 21.49 C +ATOM 1243 CG LYS A 153 61.290 102.686 105.120 1.00 25.98 C +ATOM 1244 CD LYS A 153 62.273 102.585 106.272 1.00 22.77 C +ATOM 1245 CE LYS A 153 63.572 103.325 105.909 1.00 25.79 C +ATOM 1246 NZ LYS A 153 64.473 103.303 107.078 1.00 23.16 N +ATOM 1247 N ASN A 154 59.335 100.069 103.069 1.00 20.40 N +ATOM 1248 CA ASN A 154 59.749 99.217 101.943 1.00 20.34 C +ATOM 1249 C ASN A 154 59.429 97.778 102.316 1.00 18.97 C +ATOM 1250 O ASN A 154 58.968 97.531 103.427 1.00 19.81 O +ATOM 1251 CB ASN A 154 61.254 99.373 101.673 1.00 21.40 C +ATOM 1252 CG ASN A 154 62.085 99.151 102.908 1.00 20.14 C +ATOM 1253 OD1 ASN A 154 61.871 98.187 103.653 1.00 22.34 O +ATOM 1254 ND2 ASN A 154 63.054 100.047 103.144 1.00 23.82 N +ATOM 1255 N LYS A 155 59.671 96.832 101.405 1.00 16.56 N +ATOM 1256 CA LYS A 155 59.265 95.437 101.610 1.00 18.18 C +ATOM 1257 C LYS A 155 59.976 94.793 102.802 1.00 23.56 C +ATOM 1258 O LYS A 155 59.610 93.705 103.243 1.00 19.23 O +ATOM 1259 CB LYS A 155 59.562 94.598 100.360 1.00 21.39 C +ATOM 1260 CG LYS A 155 61.077 94.275 100.215 1.00 19.65 C +ATOM 1261 CD LYS A 155 61.379 93.353 99.042 1.00 28.14 C +ATOM 1262 CE LYS A 155 62.894 93.271 98.761 1.00 24.62 C +ATOM 1263 NZ LYS A 155 63.675 92.721 99.900 1.00 24.51 N +ATOM 1264 N ASP A 156 61.010 95.447 103.319 1.00 20.22 N +ATOM 1265 CA ASP A 156 61.776 94.845 104.394 1.00 20.28 C +ATOM 1266 C ASP A 156 61.341 95.360 105.760 1.00 25.08 C +ATOM 1267 O ASP A 156 61.835 94.913 106.792 1.00 27.39 O +ATOM 1268 CB ASP A 156 63.282 95.045 104.141 1.00 22.71 C +ATOM 1269 CG ASP A 156 63.695 94.492 102.790 1.00 21.40 C +ATOM 1270 OD1 ASP A 156 63.566 93.272 102.621 1.00 22.99 O +ATOM 1271 OD2 ASP A 156 64.085 95.265 101.888 1.00 23.71 O +ATOM 1272 N SER A 157 60.399 96.294 105.756 1.00 20.84 N +ATOM 1273 CA SER A 157 59.813 96.772 106.995 1.00 17.79 C +ATOM 1274 C SER A 157 59.169 95.619 107.746 1.00 21.66 C +ATOM 1275 O SER A 157 58.398 94.841 107.177 1.00 22.07 O +ATOM 1276 CB SER A 157 58.748 97.831 106.712 1.00 18.30 C +ATOM 1277 OG SER A 157 58.010 98.103 107.889 1.00 23.87 O +ATOM 1278 N GLU A 158 59.481 95.525 109.032 1.00 17.62 N +ATOM 1279 CA GLU A 158 58.865 94.543 109.910 1.00 21.17 C +ATOM 1280 C GLU A 158 57.330 94.681 109.857 1.00 20.82 C +ATOM 1281 O GLU A 158 56.590 93.705 109.984 1.00 20.19 O +ATOM 1282 CB GLU A 158 59.368 94.773 111.333 1.00 25.60 C +ATOM 1283 CG GLU A 158 58.538 94.164 112.434 1.00 39.76 C +ATOM 1284 CD GLU A 158 58.818 94.811 113.800 1.00 50.95 C +ATOM 1285 OE1 GLU A 158 59.667 95.734 113.875 1.00 48.41 O +ATOM 1286 OE2 GLU A 158 58.181 94.395 114.798 1.00 53.26 O +ATOM 1287 N HIS A 159 56.858 95.899 109.656 1.00 19.35 N +ATOM 1288 CA HIS A 159 55.411 96.127 109.652 1.00 22.71 C +ATOM 1289 C HIS A 159 54.778 95.746 108.322 1.00 19.67 C +ATOM 1290 O HIS A 159 53.603 95.358 108.250 1.00 18.30 O +ATOM 1291 CB HIS A 159 55.122 97.567 110.053 1.00 16.06 C +ATOM 1292 CG HIS A 159 55.803 97.958 111.326 1.00 19.99 C +ATOM 1293 ND1 HIS A 159 55.724 97.189 112.470 1.00 22.81 N +ATOM 1294 CD2 HIS A 159 56.639 98.985 111.619 1.00 23.12 C +ATOM 1295 CE1 HIS A 159 56.448 97.748 113.424 1.00 22.86 C +ATOM 1296 NE2 HIS A 159 57.016 98.837 112.933 1.00 25.29 N +ATOM 1297 N TYR A 160 55.555 95.835 107.256 1.00 18.48 N +ATOM 1298 CA TYR A 160 55.049 95.342 105.979 1.00 18.92 C +ATOM 1299 C TYR A 160 54.953 93.813 106.020 1.00 18.11 C +ATOM 1300 O TYR A 160 53.997 93.214 105.527 1.00 19.28 O +ATOM 1301 CB TYR A 160 55.907 95.819 104.793 1.00 15.63 C +ATOM 1302 CG TYR A 160 55.498 95.111 103.529 1.00 19.90 C +ATOM 1303 CD1 TYR A 160 54.349 95.487 102.850 1.00 19.39 C +ATOM 1304 CD2 TYR A 160 56.237 94.048 103.037 1.00 21.04 C +ATOM 1305 CE1 TYR A 160 53.946 94.828 101.716 1.00 22.64 C +ATOM 1306 CE2 TYR A 160 55.845 93.379 101.900 1.00 24.63 C +ATOM 1307 CZ TYR A 160 54.697 93.767 101.242 1.00 28.35 C +ATOM 1308 OH TYR A 160 54.298 93.099 100.105 1.00 24.08 O +ATOM 1309 N LYS A 161 55.939 93.164 106.617 1.00 17.88 N +ATOM 1310 CA LYS A 161 55.907 91.711 106.681 1.00 20.27 C +ATOM 1311 C LYS A 161 54.722 91.208 107.481 1.00 18.32 C +ATOM 1312 O LYS A 161 54.143 90.171 107.158 1.00 19.44 O +ATOM 1313 CB LYS A 161 57.195 91.172 107.293 1.00 20.97 C +ATOM 1314 CG LYS A 161 58.391 91.348 106.401 1.00 25.41 C +ATOM 1315 CD LYS A 161 59.622 91.087 107.250 1.00 37.05 C +ATOM 1316 CE LYS A 161 60.895 91.253 106.473 1.00 43.23 C +ATOM 1317 NZ LYS A 161 62.050 91.084 107.401 1.00 50.73 N +ATOM 1318 N ALA A 162 54.369 91.937 108.535 1.00 16.81 N +ATOM 1319 CA ALA A 162 53.186 91.585 109.316 1.00 18.94 C +ATOM 1320 C ALA A 162 51.926 91.716 108.457 1.00 18.99 C +ATOM 1321 O ALA A 162 51.047 90.865 108.488 1.00 18.49 O +ATOM 1322 CB ALA A 162 53.077 92.487 110.552 1.00 19.02 C +ATOM 1323 N PHE A 163 51.860 92.802 107.697 1.00 15.88 N +ATOM 1324 CA PHE A 163 50.751 93.073 106.785 1.00 13.87 C +ATOM 1325 C PHE A 163 50.616 91.943 105.747 1.00 19.03 C +ATOM 1326 O PHE A 163 49.519 91.473 105.462 1.00 18.34 O +ATOM 1327 CB PHE A 163 51.010 94.419 106.098 1.00 16.60 C +ATOM 1328 CG PHE A 163 49.876 94.913 105.229 1.00 16.39 C +ATOM 1329 CD1 PHE A 163 48.724 95.444 105.795 1.00 15.32 C +ATOM 1330 CD2 PHE A 163 49.985 94.892 103.850 1.00 17.81 C +ATOM 1331 CE1 PHE A 163 47.694 95.945 104.992 1.00 16.08 C +ATOM 1332 CE2 PHE A 163 48.958 95.395 103.035 1.00 15.76 C +ATOM 1333 CZ PHE A 163 47.811 95.921 103.614 1.00 16.47 C +ATOM 1334 N LYS A 164 51.737 91.511 105.182 1.00 17.80 N +ATOM 1335 CA LYS A 164 51.718 90.424 104.197 1.00 17.53 C +ATOM 1336 C LYS A 164 51.248 89.098 104.790 1.00 17.36 C +ATOM 1337 O LYS A 164 50.452 88.380 104.168 1.00 23.47 O +ATOM 1338 CB LYS A 164 53.098 90.272 103.546 1.00 17.38 C +ATOM 1339 CG LYS A 164 53.172 89.219 102.468 1.00 27.59 C +ATOM 1340 CD LYS A 164 54.534 89.283 101.779 1.00 31.90 C +ATOM 1341 CE LYS A 164 54.766 88.086 100.875 1.00 49.93 C +ATOM 1342 NZ LYS A 164 56.095 88.195 100.193 1.00 60.53 N +ATOM 1343 N GLU A 165 51.722 88.769 105.989 1.00 16.38 N +ATOM 1344 CA GLU A 165 51.217 87.605 106.712 1.00 18.84 C +ATOM 1345 C GLU A 165 49.709 87.675 106.920 1.00 22.08 C +ATOM 1346 O GLU A 165 49.007 86.671 106.771 1.00 21.73 O +ATOM 1347 CB GLU A 165 51.896 87.455 108.072 1.00 24.90 C +ATOM 1348 CG GLU A 165 53.397 87.197 107.994 1.00 26.99 C +ATOM 1349 CD GLU A 165 53.738 85.863 107.356 0.73 33.92 C +ATOM 1350 OE1 GLU A 165 54.781 85.784 106.675 0.66 41.74 O +ATOM 1351 OE2 GLU A 165 52.973 84.892 107.546 0.71 31.51 O +ATOM 1352 N ALA A 166 49.207 88.848 107.294 1.00 18.95 N +ATOM 1353 CA ALA A 166 47.765 89.010 107.480 1.00 18.84 C +ATOM 1354 C ALA A 166 47.032 88.826 106.150 1.00 20.11 C +ATOM 1355 O ALA A 166 45.987 88.174 106.087 1.00 22.83 O +ATOM 1356 CB ALA A 166 47.434 90.380 108.111 1.00 18.02 C +ATOM 1357 N ALA A 167 47.588 89.404 105.092 1.00 19.69 N +ATOM 1358 CA ALA A 167 47.027 89.284 103.754 1.00 20.67 C +ATOM 1359 C ALA A 167 46.857 87.817 103.327 1.00 22.05 C +ATOM 1360 O ALA A 167 45.845 87.439 102.741 1.00 20.25 O +ATOM 1361 CB ALA A 167 47.910 90.022 102.761 1.00 18.89 C +ATOM 1362 N GLU A 168 47.858 87.002 103.625 1.00 21.77 N +ATOM 1363 CA GLU A 168 47.823 85.579 103.285 1.00 25.19 C +ATOM 1364 C GLU A 168 46.677 84.844 103.973 1.00 23.72 C +ATOM 1365 O GLU A 168 46.127 83.898 103.428 1.00 20.76 O +ATOM 1366 CB GLU A 168 49.187 84.917 103.561 1.00 25.06 C +ATOM 1367 CG GLU A 168 50.241 85.320 102.522 1.00 23.43 C +ATOM 1368 CD GLU A 168 51.687 84.997 102.924 1.00 39.67 C +ATOM 1369 OE1 GLU A 168 51.924 84.648 104.095 1.00 34.75 O +ATOM 1370 OE2 GLU A 168 52.595 85.115 102.065 1.00 37.72 O +ATOM 1371 N GLU A 169 46.302 85.298 105.158 1.00 19.93 N +ATOM 1372 CA GLU A 169 45.231 84.674 105.912 1.00 25.00 C +ATOM 1373 C GLU A 169 43.876 84.806 105.195 1.00 28.83 C +ATOM 1374 O GLU A 169 43.016 83.956 105.357 1.00 29.45 O +ATOM 1375 CB GLU A 169 45.172 85.298 107.309 1.00 29.50 C +ATOM 1376 CG GLU A 169 44.251 84.596 108.281 0.40 31.87 C +ATOM 1377 CD GLU A 169 44.674 83.165 108.567 0.40 36.03 C +ATOM 1378 OE1 GLU A 169 45.808 82.941 109.058 1.00 41.32 O +ATOM 1379 OE2 GLU A 169 43.862 82.263 108.291 0.62 38.54 O +ATOM 1380 N PHE A 170 43.689 85.869 104.412 1.00 19.68 N +ATOM 1381 CA PHE A 170 42.392 86.135 103.776 1.00 20.24 C +ATOM 1382 C PHE A 170 42.431 86.011 102.251 1.00 19.17 C +ATOM 1383 O PHE A 170 41.453 86.326 101.569 1.00 21.67 O +ATOM 1384 CB PHE A 170 41.893 87.538 104.129 1.00 21.62 C +ATOM 1385 CG PHE A 170 41.736 87.775 105.597 1.00 20.64 C +ATOM 1386 CD1 PHE A 170 40.610 87.322 106.270 1.00 24.11 C +ATOM 1387 CD2 PHE A 170 42.716 88.447 106.309 1.00 24.52 C +ATOM 1388 CE1 PHE A 170 40.466 87.534 107.625 1.00 27.12 C +ATOM 1389 CE2 PHE A 170 42.569 88.671 107.669 1.00 18.39 C +ATOM 1390 CZ PHE A 170 41.454 88.209 108.322 1.00 17.87 C +ATOM 1391 N HIS A 171 43.575 85.587 101.724 1.00 22.86 N +ATOM 1392 CA HIS A 171 43.810 85.540 100.278 1.00 27.50 C +ATOM 1393 C HIS A 171 43.000 84.392 99.696 1.00 23.66 C +ATOM 1394 O HIS A 171 42.916 83.339 100.314 1.00 26.14 O +ATOM 1395 CB HIS A 171 45.304 85.298 100.035 1.00 23.73 C +ATOM 1396 CG HIS A 171 45.697 85.203 98.589 1.00 19.74 C +ATOM 1397 ND1 HIS A 171 45.725 86.295 97.750 1.00 20.79 N +ATOM 1398 CD2 HIS A 171 46.143 84.154 97.852 1.00 20.95 C +ATOM 1399 CE1 HIS A 171 46.143 85.919 96.552 1.00 22.20 C +ATOM 1400 NE2 HIS A 171 46.414 84.628 96.591 1.00 20.01 N +ATOM 1401 N PRO A 172 42.370 84.593 98.524 1.00 24.43 N +ATOM 1402 CA PRO A 172 42.311 85.809 97.716 1.00 20.40 C +ATOM 1403 C PRO A 172 40.997 86.592 97.894 1.00 20.79 C +ATOM 1404 O PRO A 172 40.687 87.439 97.058 1.00 20.68 O +ATOM 1405 CB PRO A 172 42.374 85.246 96.295 1.00 26.15 C +ATOM 1406 CG PRO A 172 41.556 83.946 96.417 1.00 19.98 C +ATOM 1407 CD PRO A 172 41.749 83.444 97.825 1.00 22.32 C +ATOM 1408 N TYR A 173 40.235 86.315 98.949 1.00 20.45 N +ATOM 1409 CA TYR A 173 38.914 86.943 99.122 1.00 21.50 C +ATOM 1410 C TYR A 173 38.922 88.432 99.446 1.00 23.79 C +ATOM 1411 O TYR A 173 38.016 89.159 99.035 1.00 23.44 O +ATOM 1412 CB TYR A 173 38.142 86.258 100.230 1.00 24.15 C +ATOM 1413 CG TYR A 173 37.857 84.814 99.970 1.00 21.89 C +ATOM 1414 CD1 TYR A 173 36.869 84.428 99.073 1.00 27.28 C +ATOM 1415 CD2 TYR A 173 38.571 83.831 100.640 1.00 29.51 C +ATOM 1416 CE1 TYR A 173 36.597 83.084 98.856 1.00 29.76 C +ATOM 1417 CE2 TYR A 173 38.322 82.507 100.423 1.00 26.98 C +ATOM 1418 CZ TYR A 173 37.339 82.135 99.539 1.00 21.76 C +ATOM 1419 OH TYR A 173 37.110 80.795 99.359 1.00 25.87 O +ATOM 1420 N ILE A 174 39.906 88.881 100.219 1.00 18.41 N +ATOM 1421 CA ILE A 174 39.955 90.301 100.594 1.00 18.87 C +ATOM 1422 C ILE A 174 41.296 90.847 100.149 1.00 20.16 C +ATOM 1423 O ILE A 174 42.319 90.419 100.648 1.00 22.96 O +ATOM 1424 CB ILE A 174 39.825 90.492 102.109 1.00 21.05 C +ATOM 1425 CG1 ILE A 174 38.477 89.972 102.600 1.00 21.53 C +ATOM 1426 CG2 ILE A 174 40.025 91.983 102.492 1.00 18.16 C +ATOM 1427 CD1 ILE A 174 38.306 90.078 104.096 1.00 26.33 C +ATOM 1428 N PRO A 175 41.286 91.772 99.188 1.00 19.66 N +ATOM 1429 CA PRO A 175 42.531 92.302 98.628 1.00 23.30 C +ATOM 1430 C PRO A 175 43.235 93.242 99.589 1.00 21.08 C +ATOM 1431 O PRO A 175 42.577 94.127 100.152 1.00 17.00 O +ATOM 1432 CB PRO A 175 42.062 93.073 97.394 1.00 22.71 C +ATOM 1433 CG PRO A 175 40.647 93.433 97.675 1.00 23.30 C +ATOM 1434 CD PRO A 175 40.090 92.305 98.509 1.00 20.85 C +ATOM 1435 N PHE A 176 44.542 93.022 99.766 1.00 14.62 N +ATOM 1436 CA PHE A 176 45.415 93.838 100.612 1.00 16.21 C +ATOM 1437 C PHE A 176 46.353 94.557 99.647 1.00 17.95 C +ATOM 1438 O PHE A 176 46.963 93.931 98.777 1.00 18.45 O +ATOM 1439 CB PHE A 176 46.269 92.957 101.529 1.00 16.56 C +ATOM 1440 CG PHE A 176 45.579 92.504 102.796 1.00 19.45 C +ATOM 1441 CD1 PHE A 176 44.360 91.845 102.756 1.00 16.57 C +ATOM 1442 CD2 PHE A 176 46.187 92.715 104.032 1.00 19.31 C +ATOM 1443 CE1 PHE A 176 43.751 91.421 103.928 1.00 18.10 C +ATOM 1444 CE2 PHE A 176 45.587 92.285 105.206 1.00 20.60 C +ATOM 1445 CZ PHE A 176 44.354 91.640 105.150 1.00 18.70 C +ATOM 1446 N PHE A 177 46.428 95.873 99.782 1.00 14.22 N +ATOM 1447 CA PHE A 177 47.266 96.694 98.942 1.00 14.98 C +ATOM 1448 C PHE A 177 48.300 97.363 99.828 1.00 20.69 C +ATOM 1449 O PHE A 177 48.026 97.660 100.997 1.00 16.84 O +ATOM 1450 CB PHE A 177 46.417 97.773 98.282 1.00 15.30 C +ATOM 1451 CG PHE A 177 45.399 97.239 97.304 1.00 16.17 C +ATOM 1452 CD1 PHE A 177 44.149 96.801 97.743 1.00 21.58 C +ATOM 1453 CD2 PHE A 177 45.691 97.180 95.949 1.00 25.26 C +ATOM 1454 CE1 PHE A 177 43.210 96.321 96.844 1.00 20.43 C +ATOM 1455 CE2 PHE A 177 44.757 96.698 95.033 1.00 27.07 C +ATOM 1456 CZ PHE A 177 43.513 96.268 95.479 1.00 23.21 C +ATOM 1457 N ALA A 178 49.480 97.623 99.270 1.00 16.47 N +ATOM 1458 CA ALA A 178 50.483 98.397 99.989 1.00 19.73 C +ATOM 1459 C ALA A 178 51.101 99.428 99.070 1.00 21.69 C +ATOM 1460 O ALA A 178 51.097 99.269 97.848 1.00 23.48 O +ATOM 1461 CB ALA A 178 51.559 97.470 100.552 1.00 16.20 C +ATOM 1462 N THR A 179 51.621 100.496 99.662 1.00 23.76 N +ATOM 1463 CA THR A 179 52.507 101.399 98.950 1.00 21.28 C +ATOM 1464 C THR A 179 53.751 101.690 99.784 1.00 22.26 C +ATOM 1465 O THR A 179 53.700 101.698 101.009 1.00 19.24 O +ATOM 1466 CB THR A 179 51.810 102.728 98.583 1.00 23.59 C +ATOM 1467 OG1 THR A 179 52.671 103.498 97.735 1.00 26.42 O +ATOM 1468 CG2 THR A 179 51.457 103.531 99.838 1.00 20.42 C +ATOM 1469 N PHE A 180 54.874 101.892 99.100 1.00 20.25 N +ATOM 1470 CA PHE A 180 56.126 102.315 99.737 1.00 25.94 C +ATOM 1471 C PHE A 180 56.454 103.758 99.328 1.00 27.98 C +ATOM 1472 O PHE A 180 57.496 104.301 99.680 1.00 26.89 O +ATOM 1473 CB PHE A 180 57.273 101.376 99.328 1.00 19.79 C +ATOM 1474 CG PHE A 180 57.018 99.932 99.631 1.00 25.80 C +ATOM 1475 CD1 PHE A 180 56.407 99.550 100.826 1.00 21.90 C +ATOM 1476 CD2 PHE A 180 57.369 98.950 98.716 1.00 23.65 C +ATOM 1477 CE1 PHE A 180 56.160 98.231 101.097 1.00 20.45 C +ATOM 1478 CE2 PHE A 180 57.122 97.620 98.981 1.00 21.19 C +ATOM 1479 CZ PHE A 180 56.525 97.248 100.175 1.00 22.97 C +ATOM 1480 N ASP A 181 55.539 104.368 98.585 1.00 31.80 N +ATOM 1481 CA ASP A 181 55.746 105.685 97.998 1.00 32.68 C +ATOM 1482 C ASP A 181 55.016 106.777 98.766 1.00 27.44 C +ATOM 1483 O ASP A 181 53.799 106.783 98.832 1.00 31.76 O +ATOM 1484 CB ASP A 181 55.265 105.681 96.546 1.00 36.58 C +ATOM 1485 CG ASP A 181 55.575 106.980 95.833 1.00 49.40 C +ATOM 1486 OD1 ASP A 181 54.897 107.283 94.832 1.00 49.38 O +ATOM 1487 OD2 ASP A 181 56.493 107.698 96.284 1.00 47.10 O +ATOM 1488 N SER A 182 55.772 107.714 99.324 1.00 30.98 N +ATOM 1489 CA SER A 182 55.225 108.770 100.166 1.00 33.31 C +ATOM 1490 C SER A 182 54.221 109.643 99.436 1.00 31.98 C +ATOM 1491 O SER A 182 53.310 110.197 100.052 1.00 28.54 O +ATOM 1492 CB SER A 182 56.352 109.646 100.704 1.00 37.22 C +ATOM 1493 OG SER A 182 57.050 110.235 99.625 1.00 33.29 O +ATOM 1494 N LYS A 183 54.383 109.772 98.126 1.00 34.19 N +ATOM 1495 CA LYS A 183 53.452 110.582 97.351 1.00 42.81 C +ATOM 1496 C LYS A 183 52.093 109.890 97.249 1.00 34.63 C +ATOM 1497 O LYS A 183 51.050 110.533 97.334 1.00 32.74 O +ATOM 1498 CB LYS A 183 54.023 110.893 95.967 1.00 44.18 C +ATOM 1499 CG LYS A 183 55.428 111.487 96.020 1.00 54.89 C +ATOM 1500 CD LYS A 183 55.853 112.043 94.670 1.00 71.76 C +ATOM 1501 CE LYS A 183 55.054 113.288 94.305 1.00 79.52 C +ATOM 1502 NZ LYS A 183 55.390 114.449 95.181 1.00 84.20 N +ATOM 1503 N VAL A 184 52.113 108.577 97.066 1.00 35.48 N +ATOM 1504 CA VAL A 184 50.879 107.803 97.031 1.00 30.18 C +ATOM 1505 C VAL A 184 50.227 107.850 98.400 1.00 23.73 C +ATOM 1506 O VAL A 184 49.021 108.064 98.520 1.00 33.91 O +ATOM 1507 CB VAL A 184 51.139 106.329 96.658 1.00 33.75 C +ATOM 1508 CG1 VAL A 184 49.837 105.524 96.697 1.00 32.21 C +ATOM 1509 CG2 VAL A 184 51.807 106.230 95.279 1.00 33.42 C +ATOM 1510 N ALA A 185 51.038 107.654 99.434 1.00 26.41 N +ATOM 1511 CA ALA A 185 50.539 107.655 100.801 1.00 28.42 C +ATOM 1512 C ALA A 185 49.868 108.978 101.095 1.00 33.16 C +ATOM 1513 O ALA A 185 48.842 109.033 101.771 1.00 26.66 O +ATOM 1514 CB ALA A 185 51.670 107.392 101.787 1.00 25.01 C +ATOM 1515 N LYS A 186 50.447 110.052 100.573 1.00 30.48 N +ATOM 1516 CA LYS A 186 49.857 111.365 100.754 1.00 34.64 C +ATOM 1517 C LYS A 186 48.457 111.461 100.136 1.00 24.86 C +ATOM 1518 O LYS A 186 47.535 111.979 100.767 1.00 31.99 O +ATOM 1519 CB LYS A 186 50.779 112.449 100.187 1.00 36.09 C +ATOM 1520 CG LYS A 186 50.234 113.854 100.364 1.00 45.15 C +ATOM 1521 CD LYS A 186 50.050 114.206 101.832 1.00 50.50 C +ATOM 1522 CE LYS A 186 51.386 114.316 102.553 1.00 72.46 C +ATOM 1523 NZ LYS A 186 51.233 114.879 103.928 1.00 67.32 N +ATOM 1524 N LYS A 187 48.297 110.967 98.912 1.00 26.46 N +ATOM 1525 CA LYS A 187 46.996 111.020 98.236 1.00 31.23 C +ATOM 1526 C LYS A 187 45.963 110.176 98.973 1.00 34.82 C +ATOM 1527 O LYS A 187 44.781 110.509 99.013 1.00 33.91 O +ATOM 1528 CB LYS A 187 47.118 110.544 96.792 1.00 34.77 C +ATOM 1529 CG LYS A 187 48.140 111.335 95.968 1.00 47.45 C +ATOM 1530 CD LYS A 187 48.223 110.818 94.537 1.00 54.28 C +ATOM 1531 CE LYS A 187 49.169 111.656 93.684 1.00 61.60 C +ATOM 1532 NZ LYS A 187 49.136 111.226 92.254 1.00 69.21 N +ATOM 1533 N LEU A 188 46.432 109.080 99.555 1.00 28.94 N +ATOM 1534 CA LEU A 188 45.595 108.186 100.345 1.00 28.10 C +ATOM 1535 C LEU A 188 45.397 108.656 101.780 1.00 29.84 C +ATOM 1536 O LEU A 188 44.598 108.078 102.521 1.00 27.41 O +ATOM 1537 CB LEU A 188 46.229 106.804 100.355 1.00 26.30 C +ATOM 1538 CG LEU A 188 46.256 106.110 98.995 1.00 31.52 C +ATOM 1539 CD1 LEU A 188 47.034 104.807 99.078 1.00 31.64 C +ATOM 1540 CD2 LEU A 188 44.843 105.852 98.538 1.00 37.72 C +ATOM 1541 N THR A 189 46.131 109.698 102.172 1.00 28.39 N +ATOM 1542 CA THR A 189 46.152 110.199 103.555 1.00 23.17 C +ATOM 1543 C THR A 189 46.640 109.189 104.613 1.00 26.80 C +ATOM 1544 O THR A 189 46.119 109.140 105.726 1.00 26.98 O +ATOM 1545 CB THR A 189 44.800 110.811 104.007 1.00 35.71 C +ATOM 1546 OG1 THR A 189 43.872 109.770 104.343 1.00 30.50 O +ATOM 1547 CG2 THR A 189 44.219 111.700 102.918 1.00 39.91 C +ATOM 1548 N LEU A 190 47.643 108.394 104.263 1.00 20.32 N +ATOM 1549 CA LEU A 190 48.194 107.410 105.179 1.00 23.55 C +ATOM 1550 C LEU A 190 49.497 107.896 105.803 1.00 22.44 C +ATOM 1551 O LEU A 190 50.399 108.330 105.087 1.00 22.49 O +ATOM 1552 CB LEU A 190 48.500 106.119 104.414 1.00 20.61 C +ATOM 1553 CG LEU A 190 47.321 105.273 103.938 1.00 23.00 C +ATOM 1554 CD1 LEU A 190 47.822 104.164 103.020 1.00 22.04 C +ATOM 1555 CD2 LEU A 190 46.591 104.696 105.139 1.00 21.49 C +ATOM 1556 N LYS A 191 49.600 107.798 107.121 1.00 21.78 N +ATOM 1557 CA LYS A 191 50.891 107.952 107.798 1.00 26.85 C +ATOM 1558 C LYS A 191 51.676 106.659 107.687 1.00 24.61 C +ATOM 1559 O LYS A 191 51.110 105.626 107.359 1.00 18.58 O +ATOM 1560 CB LYS A 191 50.683 108.267 109.268 1.00 23.61 C +ATOM 1561 CG LYS A 191 50.093 109.629 109.510 1.00 29.05 C +ATOM 1562 CD LYS A 191 49.644 109.762 110.944 1.00 33.21 C +ATOM 1563 CE LYS A 191 49.134 111.172 111.219 1.00 31.90 C +ATOM 1564 NZ LYS A 191 48.380 111.200 112.501 1.00 46.27 N +ATOM 1565 N LEU A 192 52.976 106.698 107.976 1.00 19.93 N +ATOM 1566 CA LEU A 192 53.758 105.479 107.899 1.00 21.81 C +ATOM 1567 C LEU A 192 53.238 104.422 108.879 1.00 23.24 C +ATOM 1568 O LEU A 192 53.006 104.701 110.051 1.00 17.73 O +ATOM 1569 CB LEU A 192 55.236 105.764 108.172 1.00 24.57 C +ATOM 1570 CG LEU A 192 56.177 104.607 107.845 1.00 21.15 C +ATOM 1571 CD1 LEU A 192 56.296 104.508 106.339 1.00 17.85 C +ATOM 1572 CD2 LEU A 192 57.533 104.866 108.496 1.00 27.77 C +ATOM 1573 N ASN A 193 53.089 103.204 108.369 1.00 15.49 N +ATOM 1574 CA ASN A 193 52.631 102.040 109.121 1.00 15.99 C +ATOM 1575 C ASN A 193 51.123 102.058 109.383 1.00 18.64 C +ATOM 1576 O ASN A 193 50.582 101.145 110.001 1.00 18.11 O +ATOM 1577 CB ASN A 193 53.414 101.867 110.413 1.00 17.51 C +ATOM 1578 CG ASN A 193 54.873 101.680 110.156 1.00 21.76 C +ATOM 1579 OD1 ASN A 193 55.255 100.989 109.213 1.00 20.69 O +ATOM 1580 ND2 ASN A 193 55.708 102.298 110.980 1.00 19.31 N +ATOM 1581 N GLU A 194 50.457 103.081 108.870 1.00 14.97 N +ATOM 1582 CA GLU A 194 49.017 103.183 109.036 1.00 17.04 C +ATOM 1583 C GLU A 194 48.348 102.268 108.007 1.00 18.00 C +ATOM 1584 O GLU A 194 48.802 102.180 106.864 1.00 16.27 O +ATOM 1585 CB GLU A 194 48.588 104.629 108.855 1.00 21.32 C +ATOM 1586 CG GLU A 194 47.442 105.047 109.713 1.00 31.90 C +ATOM 1587 CD GLU A 194 47.283 106.562 109.763 1.00 25.85 C +ATOM 1588 OE1 GLU A 194 47.309 107.201 108.697 1.00 25.12 O +ATOM 1589 OE2 GLU A 194 47.141 107.098 110.877 1.00 29.86 O +ATOM 1590 N ILE A 195 47.288 101.584 108.430 1.00 15.67 N +ATOM 1591 CA ILE A 195 46.494 100.714 107.541 1.00 16.29 C +ATOM 1592 C ILE A 195 45.047 101.184 107.547 1.00 17.49 C +ATOM 1593 O ILE A 195 44.424 101.235 108.614 1.00 17.93 O +ATOM 1594 CB ILE A 195 46.502 99.245 108.003 1.00 17.90 C +ATOM 1595 CG1 ILE A 195 47.917 98.676 107.977 1.00 13.83 C +ATOM 1596 CG2 ILE A 195 45.596 98.378 107.083 1.00 14.42 C +ATOM 1597 CD1 ILE A 195 48.078 97.387 108.824 1.00 14.88 C +ATOM 1598 N ASP A 196 44.529 101.546 106.373 1.00 16.43 N +ATOM 1599 CA ASP A 196 43.123 101.944 106.242 1.00 17.98 C +ATOM 1600 C ASP A 196 42.293 100.760 105.741 1.00 19.09 C +ATOM 1601 O ASP A 196 42.673 100.103 104.781 1.00 16.75 O +ATOM 1602 CB ASP A 196 42.991 103.112 105.272 1.00 21.23 C +ATOM 1603 CG ASP A 196 43.153 104.468 105.958 1.00 22.40 C +ATOM 1604 OD1 ASP A 196 43.425 104.495 107.177 1.00 21.31 O +ATOM 1605 OD2 ASP A 196 43.010 105.494 105.265 1.00 20.98 O +ATOM 1606 N PHE A 197 41.172 100.509 106.413 1.00 15.41 N +ATOM 1607 CA PHE A 197 40.227 99.443 106.073 1.00 17.31 C +ATOM 1608 C PHE A 197 39.003 100.087 105.417 1.00 14.06 C +ATOM 1609 O PHE A 197 38.360 100.963 106.017 1.00 18.83 O +ATOM 1610 CB PHE A 197 39.800 98.715 107.357 1.00 14.38 C +ATOM 1611 CG PHE A 197 38.778 97.611 107.137 1.00 16.76 C +ATOM 1612 CD1 PHE A 197 37.421 97.918 107.034 1.00 18.52 C +ATOM 1613 CD2 PHE A 197 39.171 96.275 107.089 1.00 17.48 C +ATOM 1614 CE1 PHE A 197 36.460 96.900 106.835 1.00 16.56 C +ATOM 1615 CE2 PHE A 197 38.222 95.253 106.898 1.00 17.96 C +ATOM 1616 CZ PHE A 197 36.862 95.583 106.776 1.00 18.83 C +ATOM 1617 N TYR A 198 38.684 99.678 104.196 1.00 15.10 N +ATOM 1618 CA TYR A 198 37.519 100.224 103.503 1.00 14.30 C +ATOM 1619 C TYR A 198 36.426 99.164 103.437 1.00 20.04 C +ATOM 1620 O TYR A 198 36.571 98.167 102.731 1.00 15.76 O +ATOM 1621 CB TYR A 198 37.855 100.638 102.069 1.00 19.35 C +ATOM 1622 CG TYR A 198 38.692 101.893 101.926 1.00 17.67 C +ATOM 1623 CD1 TYR A 198 40.075 101.860 102.114 1.00 20.27 C +ATOM 1624 CD2 TYR A 198 38.109 103.102 101.560 1.00 19.25 C +ATOM 1625 CE1 TYR A 198 40.848 102.999 101.958 1.00 18.66 C +ATOM 1626 CE2 TYR A 198 38.874 104.253 101.408 1.00 24.52 C +ATOM 1627 CZ TYR A 198 40.234 104.200 101.615 1.00 21.43 C +ATOM 1628 OH TYR A 198 40.999 105.336 101.455 1.00 22.70 O +ATOM 1629 N GLU A 199 35.334 99.388 104.160 1.00 14.71 N +ATOM 1630 CA GLU A 199 34.187 98.495 104.087 1.00 16.99 C +ATOM 1631 C GLU A 199 33.620 98.594 102.683 1.00 14.19 C +ATOM 1632 O GLU A 199 33.626 99.677 102.076 1.00 17.86 O +ATOM 1633 CB GLU A 199 33.134 98.899 105.143 1.00 20.44 C +ATOM 1634 CG GLU A 199 31.837 98.065 105.121 1.00 16.09 C +ATOM 1635 CD GLU A 199 30.811 98.542 106.159 1.00 27.22 C +ATOM 1636 OE1 GLU A 199 31.221 99.151 107.170 1.00 22.41 O +ATOM 1637 OE2 GLU A 199 29.595 98.309 105.960 1.00 25.85 O +ATOM 1638 N ALA A 200 33.144 97.468 102.153 1.00 15.51 N +ATOM 1639 CA ALA A 200 32.484 97.469 100.852 1.00 19.83 C +ATOM 1640 C ALA A 200 31.442 98.584 100.747 1.00 22.39 C +ATOM 1641 O ALA A 200 30.648 98.787 101.664 1.00 20.73 O +ATOM 1642 CB ALA A 200 31.812 96.103 100.600 1.00 17.56 C +ATOM 1643 N PHE A 201 31.464 99.297 99.627 1.00 16.76 N +ATOM 1644 CA PHE A 201 30.483 100.330 99.300 1.00 20.52 C +ATOM 1645 C PHE A 201 30.543 101.553 100.206 1.00 27.03 C +ATOM 1646 O PHE A 201 29.698 102.429 100.100 1.00 25.28 O +ATOM 1647 CB PHE A 201 29.057 99.746 99.260 1.00 21.09 C +ATOM 1648 CG PHE A 201 28.909 98.589 98.287 1.00 18.18 C +ATOM 1649 CD1 PHE A 201 28.867 98.828 96.920 1.00 23.53 C +ATOM 1650 CD2 PHE A 201 28.844 97.280 98.745 1.00 18.09 C +ATOM 1651 CE1 PHE A 201 28.750 97.791 96.023 1.00 18.19 C +ATOM 1652 CE2 PHE A 201 28.725 96.228 97.848 1.00 17.13 C +ATOM 1653 CZ PHE A 201 28.681 96.493 96.483 1.00 18.28 C +ATOM 1654 N MET A 202 31.546 101.621 101.078 1.00 24.87 N +ATOM 1655 CA MET A 202 31.711 102.784 101.954 1.00 25.72 C +ATOM 1656 C MET A 202 32.784 103.723 101.400 1.00 23.21 C +ATOM 1657 O MET A 202 33.842 103.278 100.958 1.00 23.55 O +ATOM 1658 CB MET A 202 32.075 102.362 103.383 1.00 24.73 C +ATOM 1659 CG MET A 202 30.992 101.581 104.119 1.00 27.18 C +ATOM 1660 SD MET A 202 29.541 102.615 104.440 1.00 29.97 S +ATOM 1661 CE MET A 202 28.285 101.361 104.652 1.00 33.36 C +ATOM 1662 N GLU A 203 32.509 105.022 101.428 1.00 22.40 N +ATOM 1663 CA GLU A 203 33.471 106.016 100.954 1.00 32.78 C +ATOM 1664 C GLU A 203 34.630 106.226 101.927 1.00 27.77 C +ATOM 1665 O GLU A 203 35.786 106.354 101.525 1.00 27.47 O +ATOM 1666 CB GLU A 203 32.768 107.351 100.717 1.00 39.65 C +ATOM 1667 CG GLU A 203 31.738 107.302 99.601 1.00 53.20 C +ATOM 1668 CD GLU A 203 32.028 108.304 98.497 1.00 79.84 C +ATOM 1669 OE1 GLU A 203 32.962 109.122 98.663 1.00 83.69 O +ATOM 1670 OE2 GLU A 203 31.322 108.269 97.463 1.00 79.01 O +ATOM 1671 N GLU A 204 34.316 106.285 103.211 1.00 22.46 N +ATOM 1672 CA GLU A 204 35.334 106.616 104.196 1.00 25.83 C +ATOM 1673 C GLU A 204 35.852 105.365 104.881 1.00 21.21 C +ATOM 1674 O GLU A 204 35.063 104.530 105.336 1.00 21.63 O +ATOM 1675 CB GLU A 204 34.773 107.583 105.238 1.00 29.36 C +ATOM 1676 CG GLU A 204 34.436 108.967 104.669 1.00 43.48 C +ATOM 1677 CD GLU A 204 35.631 109.639 103.987 1.00 60.63 C +ATOM 1678 OE1 GLU A 204 35.449 110.202 102.884 1.00 65.03 O +ATOM 1679 OE2 GLU A 204 36.752 109.605 104.548 1.00 58.00 O +ATOM 1680 N PRO A 205 37.184 105.255 105.000 1.00 21.74 N +ATOM 1681 CA PRO A 205 37.781 104.072 105.628 1.00 17.79 C +ATOM 1682 C PRO A 205 37.779 104.193 107.131 1.00 22.58 C +ATOM 1683 O PRO A 205 37.466 105.241 107.660 1.00 24.25 O +ATOM 1684 CB PRO A 205 39.227 104.092 105.096 1.00 21.03 C +ATOM 1685 CG PRO A 205 39.513 105.530 104.843 1.00 22.03 C +ATOM 1686 CD PRO A 205 38.200 106.135 104.382 1.00 24.84 C +ATOM 1687 N VAL A 206 38.107 103.108 107.809 1.00 17.64 N +ATOM 1688 CA VAL A 206 38.347 103.130 109.230 1.00 20.32 C +ATOM 1689 C VAL A 206 39.817 102.733 109.394 1.00 25.81 C +ATOM 1690 O VAL A 206 40.272 101.742 108.812 1.00 21.79 O +ATOM 1691 CB VAL A 206 37.436 102.121 109.966 1.00 23.22 C +ATOM 1692 CG1 VAL A 206 37.798 102.039 111.441 1.00 27.67 C +ATOM 1693 CG2 VAL A 206 35.975 102.490 109.789 1.00 29.68 C +ATOM 1694 N THR A 207 40.578 103.509 110.155 1.00 24.07 N +ATOM 1695 CA THR A 207 42.010 103.207 110.312 1.00 21.55 C +ATOM 1696 C THR A 207 42.191 102.171 111.404 1.00 19.29 C +ATOM 1697 O THR A 207 41.554 102.252 112.458 1.00 18.69 O +ATOM 1698 CB THR A 207 42.824 104.492 110.624 1.00 25.96 C +ATOM 1699 OG1 THR A 207 42.636 105.432 109.567 1.00 24.15 O +ATOM 1700 CG2 THR A 207 44.332 104.190 110.741 1.00 20.02 C +ATOM 1701 N ILE A 208 42.997 101.149 111.151 1.00 15.07 N +ATOM 1702 CA ILE A 208 43.238 100.183 112.209 1.00 17.64 C +ATOM 1703 C ILE A 208 43.954 100.879 113.366 1.00 21.83 C +ATOM 1704 O ILE A 208 44.985 101.531 113.170 1.00 21.44 O +ATOM 1705 CB ILE A 208 43.985 98.942 111.727 1.00 19.29 C +ATOM 1706 CG1 ILE A 208 43.260 98.342 110.516 1.00 16.01 C +ATOM 1707 CG2 ILE A 208 44.071 97.902 112.861 1.00 19.81 C +ATOM 1708 CD1 ILE A 208 43.845 96.977 110.043 1.00 17.72 C +ATOM 1709 N PRO A 209 43.387 100.783 114.579 1.00 23.59 N +ATOM 1710 CA PRO A 209 43.996 101.485 115.721 1.00 24.75 C +ATOM 1711 C PRO A 209 45.318 100.894 116.172 1.00 19.07 C +ATOM 1712 O PRO A 209 45.633 99.739 115.881 1.00 18.12 O +ATOM 1713 CB PRO A 209 42.946 101.339 116.844 1.00 27.79 C +ATOM 1714 CG PRO A 209 42.066 100.239 116.412 1.00 33.46 C +ATOM 1715 CD PRO A 209 42.051 100.257 114.908 1.00 20.50 C +ATOM 1716 N ASP A 210 46.092 101.718 116.872 1.00 21.58 N +ATOM 1717 CA ASP A 210 47.279 101.274 117.593 1.00 22.85 C +ATOM 1718 C ASP A 210 48.451 100.866 116.692 1.00 22.74 C +ATOM 1719 O ASP A 210 49.201 99.954 117.023 1.00 22.79 O +ATOM 1720 CB ASP A 210 46.942 100.150 118.578 1.00 22.84 C +ATOM 1721 CG ASP A 210 45.899 100.573 119.618 1.00 36.59 C +ATOM 1722 OD1 ASP A 210 45.893 101.752 120.031 1.00 31.85 O +ATOM 1723 OD2 ASP A 210 45.074 99.727 120.019 1.00 37.60 O +ATOM 1724 N LYS A 211 48.597 101.547 115.561 1.00 21.88 N +ATOM 1725 CA LYS A 211 49.717 101.264 114.668 1.00 15.55 C +ATOM 1726 C LYS A 211 51.000 101.499 115.454 1.00 28.41 C +ATOM 1727 O LYS A 211 50.997 102.243 116.429 1.00 23.82 O +ATOM 1728 CB LYS A 211 49.677 102.167 113.442 1.00 21.04 C +ATOM 1729 CG LYS A 211 49.842 103.649 113.759 1.00 25.63 C +ATOM 1730 CD LYS A 211 50.488 104.401 112.604 1.00 26.49 C +ATOM 1731 CE LYS A 211 50.912 105.806 113.052 1.00 30.46 C +ATOM 1732 NZ LYS A 211 49.793 106.512 113.768 1.00 37.30 N +ATOM 1733 N PRO A 212 52.093 100.843 115.053 1.00 24.17 N +ATOM 1734 CA PRO A 212 52.124 99.859 113.963 1.00 22.81 C +ATOM 1735 C PRO A 212 51.421 98.581 114.391 1.00 22.56 C +ATOM 1736 O PRO A 212 51.377 98.253 115.581 1.00 23.70 O +ATOM 1737 CB PRO A 212 53.630 99.600 113.748 1.00 21.39 C +ATOM 1738 CG PRO A 212 54.275 100.004 115.018 1.00 32.66 C +ATOM 1739 CD PRO A 212 53.433 101.105 115.612 1.00 25.39 C +ATOM 1740 N ASN A 213 50.881 97.852 113.422 1.00 19.81 N +ATOM 1741 CA ASN A 213 50.013 96.727 113.743 1.00 19.04 C +ATOM 1742 C ASN A 213 50.679 95.389 113.558 1.00 20.98 C +ATOM 1743 O ASN A 213 51.300 95.112 112.520 1.00 21.37 O +ATOM 1744 CB ASN A 213 48.761 96.767 112.878 1.00 17.59 C +ATOM 1745 CG ASN A 213 47.947 98.028 113.088 1.00 20.03 C +ATOM 1746 OD1 ASN A 213 47.700 98.779 112.149 1.00 19.01 O +ATOM 1747 ND2 ASN A 213 47.537 98.268 114.322 1.00 19.16 N +ATOM 1748 N SER A 214 50.514 94.532 114.557 1.00 17.95 N +ATOM 1749 CA SER A 214 50.982 93.171 114.442 1.00 20.59 C +ATOM 1750 C SER A 214 50.085 92.433 113.459 1.00 19.86 C +ATOM 1751 O SER A 214 48.978 92.895 113.126 1.00 17.86 O +ATOM 1752 CB SER A 214 50.920 92.485 115.806 1.00 20.90 C +ATOM 1753 OG SER A 214 49.564 92.393 116.221 1.00 24.20 O +ATOM 1754 N GLU A 215 50.577 91.302 112.979 1.00 16.76 N +ATOM 1755 CA GLU A 215 49.772 90.415 112.152 1.00 22.47 C +ATOM 1756 C GLU A 215 48.447 90.097 112.846 1.00 21.37 C +ATOM 1757 O GLU A 215 47.399 90.146 112.226 1.00 16.99 O +ATOM 1758 CB GLU A 215 50.566 89.138 111.859 1.00 22.44 C +ATOM 1759 CG GLU A 215 49.760 87.978 111.362 1.00 27.15 C +ATOM 1760 CD GLU A 215 50.586 86.708 111.312 1.00 38.15 C +ATOM 1761 OE1 GLU A 215 51.834 86.792 111.438 1.00 34.07 O +ATOM 1762 OE2 GLU A 215 49.986 85.629 111.149 1.00 36.07 O +ATOM 1763 N GLU A 216 48.496 89.780 114.138 1.00 18.92 N +ATOM 1764 CA GLU A 216 47.270 89.448 114.871 1.00 22.74 C +ATOM 1765 C GLU A 216 46.285 90.626 114.984 1.00 19.03 C +ATOM 1766 O GLU A 216 45.066 90.430 114.891 1.00 18.52 O +ATOM 1767 CB GLU A 216 47.607 88.913 116.266 1.00 25.08 C +ATOM 1768 CG GLU A 216 48.329 87.578 116.254 1.00 24.66 C +ATOM 1769 CD GLU A 216 49.828 87.705 116.056 1.00 32.74 C +ATOM 1770 OE1 GLU A 216 50.337 88.844 115.919 1.00 26.62 O +ATOM 1771 OE2 GLU A 216 50.500 86.657 116.037 1.00 35.96 O +ATOM 1772 N GLU A 217 46.801 91.838 115.194 1.00 17.78 N +ATOM 1773 CA GLU A 217 45.938 93.013 115.273 1.00 18.81 C +ATOM 1774 C GLU A 217 45.168 93.201 113.967 1.00 18.56 C +ATOM 1775 O GLU A 217 43.987 93.539 113.971 1.00 15.86 O +ATOM 1776 CB GLU A 217 46.748 94.276 115.585 1.00 17.75 C +ATOM 1777 CG GLU A 217 46.995 94.507 117.059 1.00 23.90 C +ATOM 1778 CD GLU A 217 48.030 95.590 117.321 1.00 30.53 C +ATOM 1779 OE1 GLU A 217 48.692 96.033 116.370 1.00 25.28 O +ATOM 1780 OE2 GLU A 217 48.199 95.998 118.483 1.00 40.23 O +ATOM 1781 N ILE A 218 45.841 92.967 112.848 1.00 18.65 N +ATOM 1782 CA ILE A 218 45.202 93.146 111.545 1.00 16.54 C +ATOM 1783 C ILE A 218 44.141 92.086 111.333 1.00 16.66 C +ATOM 1784 O ILE A 218 42.990 92.394 110.982 1.00 15.67 O +ATOM 1785 CB ILE A 218 46.242 93.095 110.411 1.00 15.87 C +ATOM 1786 CG1 ILE A 218 47.315 94.164 110.655 1.00 14.98 C +ATOM 1787 CG2 ILE A 218 45.566 93.291 109.046 1.00 17.76 C +ATOM 1788 CD1 ILE A 218 48.541 94.032 109.733 1.00 15.20 C +ATOM 1789 N VAL A 219 44.528 90.836 111.553 1.00 16.85 N +ATOM 1790 CA VAL A 219 43.586 89.718 111.415 1.00 17.05 C +ATOM 1791 C VAL A 219 42.377 89.890 112.330 1.00 17.41 C +ATOM 1792 O VAL A 219 41.256 89.663 111.889 1.00 17.32 O +ATOM 1793 CB VAL A 219 44.270 88.342 111.651 1.00 17.46 C +ATOM 1794 CG1 VAL A 219 43.236 87.214 111.757 1.00 21.29 C +ATOM 1795 CG2 VAL A 219 45.304 88.055 110.551 1.00 18.95 C +ATOM 1796 N ASN A 220 42.586 90.263 113.597 1.00 20.12 N +ATOM 1797 CA ASN A 220 41.456 90.496 114.518 1.00 17.85 C +ATOM 1798 C ASN A 220 40.515 91.566 113.978 1.00 20.77 C +ATOM 1799 O ASN A 220 39.297 91.427 114.016 1.00 18.66 O +ATOM 1800 CB ASN A 220 41.946 90.979 115.888 1.00 20.77 C +ATOM 1801 CG ASN A 220 42.570 89.873 116.717 1.00 39.50 C +ATOM 1802 OD1 ASN A 220 42.276 88.693 116.521 1.00 44.27 O +ATOM 1803 ND2 ASN A 220 43.437 90.252 117.664 1.00 37.85 N +ATOM 1804 N PHE A 221 41.090 92.667 113.507 1.00 18.05 N +ATOM 1805 CA PHE A 221 40.297 93.771 112.988 1.00 13.59 C +ATOM 1806 C PHE A 221 39.482 93.343 111.773 1.00 16.90 C +ATOM 1807 O PHE A 221 38.288 93.663 111.655 1.00 20.18 O +ATOM 1808 CB PHE A 221 41.200 94.958 112.617 1.00 15.98 C +ATOM 1809 CG PHE A 221 40.438 96.189 112.255 1.00 20.46 C +ATOM 1810 CD1 PHE A 221 40.191 97.169 113.205 1.00 21.55 C +ATOM 1811 CD2 PHE A 221 39.930 96.357 110.970 1.00 17.36 C +ATOM 1812 CE1 PHE A 221 39.477 98.300 112.879 1.00 22.25 C +ATOM 1813 CE2 PHE A 221 39.217 97.490 110.639 1.00 20.40 C +ATOM 1814 CZ PHE A 221 38.990 98.465 111.601 1.00 22.02 C +ATOM 1815 N VAL A 222 40.112 92.620 110.857 1.00 16.20 N +ATOM 1816 CA VAL A 222 39.396 92.210 109.643 1.00 19.87 C +ATOM 1817 C VAL A 222 38.257 91.254 110.010 1.00 19.92 C +ATOM 1818 O VAL A 222 37.132 91.387 109.515 1.00 17.46 O +ATOM 1819 CB VAL A 222 40.348 91.583 108.604 1.00 20.57 C +ATOM 1820 CG1 VAL A 222 39.574 90.986 107.419 1.00 17.94 C +ATOM 1821 CG2 VAL A 222 41.358 92.654 108.124 1.00 18.09 C +ATOM 1822 N GLU A 223 38.535 90.317 110.908 1.00 19.34 N +ATOM 1823 CA GLU A 223 37.487 89.386 111.341 1.00 21.95 C +ATOM 1824 C GLU A 223 36.313 90.111 111.966 1.00 23.26 C +ATOM 1825 O GLU A 223 35.159 89.828 111.633 1.00 22.19 O +ATOM 1826 CB GLU A 223 38.030 88.308 112.281 1.00 23.06 C +ATOM 1827 CG GLU A 223 38.838 87.248 111.553 1.00 32.46 C +ATOM 1828 CD GLU A 223 37.977 86.417 110.594 1.00 30.39 C +ATOM 1829 OE1 GLU A 223 36.736 86.502 110.671 1.00 39.86 O +ATOM 1830 OE2 GLU A 223 38.547 85.679 109.769 1.00 47.93 O +ATOM 1831 N GLU A 224 36.594 91.046 112.862 1.00 20.69 N +ATOM 1832 CA GLU A 224 35.527 91.809 113.480 1.00 24.44 C +ATOM 1833 C GLU A 224 34.738 92.613 112.454 1.00 31.22 C +ATOM 1834 O GLU A 224 33.571 92.917 112.670 1.00 29.28 O +ATOM 1835 CB GLU A 224 36.044 92.744 114.575 1.00 26.47 C +ATOM 1836 CG GLU A 224 34.968 93.732 114.997 1.00 39.73 C +ATOM 1837 CD GLU A 224 35.295 94.480 116.269 1.00 53.05 C +ATOM 1838 OE1 GLU A 224 36.336 94.175 116.881 1.00 51.54 O +ATOM 1839 OE2 GLU A 224 34.504 95.370 116.654 1.00 54.03 O +ATOM 1840 N HIS A 225 35.364 92.948 111.332 1.00 21.83 N +ATOM 1841 CA HIS A 225 34.697 93.772 110.321 1.00 23.22 C +ATOM 1842 C HIS A 225 34.391 92.989 109.048 1.00 22.85 C +ATOM 1843 O HIS A 225 34.258 93.557 107.968 1.00 23.46 O +ATOM 1844 CB HIS A 225 35.554 94.994 109.989 1.00 21.14 C +ATOM 1845 CG HIS A 225 35.690 95.955 111.127 1.00 21.27 C +ATOM 1846 ND1 HIS A 225 36.577 95.760 112.166 1.00 24.39 N +ATOM 1847 CD2 HIS A 225 35.044 97.115 111.396 1.00 31.63 C +ATOM 1848 CE1 HIS A 225 36.471 96.759 113.023 1.00 28.56 C +ATOM 1849 NE2 HIS A 225 35.552 97.597 112.576 1.00 32.97 N +ATOM 1850 N ARG A 226 34.261 91.680 109.197 1.00 19.84 N +ATOM 1851 CA ARG A 226 34.094 90.781 108.066 1.00 23.64 C +ATOM 1852 C ARG A 226 32.786 91.034 107.303 1.00 21.33 C +ATOM 1853 O ARG A 226 32.741 90.897 106.088 1.00 23.19 O +ATOM 1854 CB ARG A 226 34.146 89.328 108.563 1.00 26.54 C +ATOM 1855 CG ARG A 226 34.346 88.306 107.488 1.00 36.03 C +ATOM 1856 CD ARG A 226 35.752 88.408 106.934 1.00 37.91 C +ATOM 1857 NE ARG A 226 35.978 87.447 105.862 1.00 45.53 N +ATOM 1858 CZ ARG A 226 36.460 86.221 106.051 1.00 54.64 C +ATOM 1859 NH1 ARG A 226 36.773 85.807 107.275 1.00 43.86 N +ATOM 1860 NH2 ARG A 226 36.638 85.412 105.013 1.00 58.74 N +ATOM 1861 N ARG A 227 31.726 91.409 108.017 1.00 21.39 N +ATOM 1862 CA ARG A 227 30.412 91.573 107.385 1.00 20.08 C +ATOM 1863 C ARG A 227 30.091 93.025 107.061 1.00 21.58 C +ATOM 1864 O ARG A 227 29.833 93.817 107.968 1.00 18.07 O +ATOM 1865 CB ARG A 227 29.308 90.993 108.293 1.00 23.07 C +ATOM 1866 CG ARG A 227 27.922 90.974 107.647 1.00 20.34 C +ATOM 1867 CD ARG A 227 26.824 90.624 108.649 1.00 22.85 C +ATOM 1868 NE ARG A 227 26.996 89.286 109.206 1.00 26.57 N +ATOM 1869 CZ ARG A 227 27.141 89.026 110.505 1.00 46.00 C +ATOM 1870 NH1 ARG A 227 27.140 90.015 111.395 1.00 42.21 N +ATOM 1871 NH2 ARG A 227 27.283 87.775 110.921 1.00 41.86 N +ATOM 1872 N SER A 228 30.084 93.374 105.776 1.00 18.34 N +ATOM 1873 CA SER A 228 29.736 94.734 105.367 1.00 18.58 C +ATOM 1874 C SER A 228 28.222 94.929 105.462 1.00 23.25 C +ATOM 1875 O SER A 228 27.438 93.982 105.307 1.00 18.49 O +ATOM 1876 CB SER A 228 30.193 95.019 103.931 1.00 15.94 C +ATOM 1877 OG SER A 228 31.605 94.878 103.803 1.00 21.84 O +ATOM 1878 N THR A 229 27.824 96.167 105.714 1.00 19.72 N +ATOM 1879 CA THR A 229 26.415 96.524 105.814 1.00 18.48 C +ATOM 1880 C THR A 229 25.697 96.217 104.504 1.00 16.67 C +ATOM 1881 O THR A 229 24.581 95.728 104.513 1.00 19.82 O +ATOM 1882 CB THR A 229 26.264 98.010 106.173 1.00 20.81 C +ATOM 1883 OG1 THR A 229 26.919 98.243 107.423 1.00 20.11 O +ATOM 1884 CG2 THR A 229 24.781 98.399 106.295 1.00 18.01 C +ATOM 1885 N LEU A 230 26.354 96.498 103.378 1.00 17.26 N +ATOM 1886 CA LEU A 230 25.870 96.056 102.076 1.00 14.90 C +ATOM 1887 C LEU A 230 26.938 95.131 101.504 1.00 16.43 C +ATOM 1888 O LEU A 230 28.099 95.526 101.395 1.00 15.75 O +ATOM 1889 CB LEU A 230 25.696 97.259 101.147 1.00 13.66 C +ATOM 1890 CG LEU A 230 25.222 97.007 99.711 1.00 18.39 C +ATOM 1891 CD1 LEU A 230 23.902 96.229 99.727 1.00 20.73 C +ATOM 1892 CD2 LEU A 230 25.060 98.294 98.921 1.00 19.43 C +ATOM 1893 N ARG A 231 26.571 93.900 101.176 1.00 16.72 N +ATOM 1894 CA ARG A 231 27.557 92.994 100.583 1.00 19.12 C +ATOM 1895 C ARG A 231 27.003 92.350 99.324 1.00 19.90 C +ATOM 1896 O ARG A 231 25.810 92.081 99.236 1.00 16.84 O +ATOM 1897 CB ARG A 231 28.003 91.935 101.592 1.00 18.00 C +ATOM 1898 CG ARG A 231 26.867 91.212 102.259 1.00 20.61 C +ATOM 1899 CD ARG A 231 27.400 90.300 103.385 1.00 23.11 C +ATOM 1900 NE ARG A 231 26.295 89.790 104.192 1.00 25.92 N +ATOM 1901 CZ ARG A 231 26.381 88.764 105.025 1.00 25.06 C +ATOM 1902 NH1 ARG A 231 27.517 88.106 105.150 1.00 20.53 N +ATOM 1903 NH2 ARG A 231 25.318 88.392 105.720 1.00 26.93 N +ATOM 1904 N LYS A 232 27.862 92.140 98.330 1.00 14.80 N +ATOM 1905 CA LYS A 232 27.402 91.540 97.083 1.00 16.25 C +ATOM 1906 C LYS A 232 27.493 90.014 97.115 1.00 18.31 C +ATOM 1907 O LYS A 232 28.492 89.465 97.563 1.00 19.50 O +ATOM 1908 CB LYS A 232 28.226 92.070 95.917 1.00 16.34 C +ATOM 1909 CG LYS A 232 27.654 91.703 94.544 1.00 15.06 C +ATOM 1910 CD LYS A 232 28.474 92.406 93.442 1.00 18.72 C +ATOM 1911 CE LYS A 232 27.831 92.151 92.084 1.00 18.53 C +ATOM 1912 NZ LYS A 232 28.496 92.901 90.989 1.00 21.62 N +ATOM 1913 N LEU A 233 26.458 89.327 96.637 1.00 14.01 N +ATOM 1914 CA LEU A 233 26.540 87.878 96.472 1.00 14.78 C +ATOM 1915 C LEU A 233 27.421 87.631 95.264 1.00 17.99 C +ATOM 1916 O LEU A 233 27.104 88.080 94.156 1.00 18.68 O +ATOM 1917 CB LEU A 233 25.176 87.263 96.193 1.00 15.59 C +ATOM 1918 CG LEU A 233 25.128 85.740 96.390 1.00 16.69 C +ATOM 1919 CD1 LEU A 233 25.254 85.402 97.866 1.00 21.18 C +ATOM 1920 CD2 LEU A 233 23.851 85.167 95.826 1.00 17.39 C +ATOM 1921 N LYS A 234 28.528 86.930 95.475 1.00 18.16 N +ATOM 1922 CA LYS A 234 29.465 86.643 94.392 1.00 17.04 C +ATOM 1923 C LYS A 234 29.610 85.134 94.245 1.00 14.44 C +ATOM 1924 O LYS A 234 29.656 84.423 95.244 1.00 16.95 O +ATOM 1925 CB LYS A 234 30.845 87.242 94.725 1.00 15.64 C +ATOM 1926 CG LYS A 234 30.803 88.770 94.871 1.00 23.31 C +ATOM 1927 CD LYS A 234 32.202 89.344 94.967 1.00 28.90 C +ATOM 1928 CE LYS A 234 32.163 90.872 95.047 1.00 23.25 C +ATOM 1929 NZ LYS A 234 33.546 91.406 95.275 1.00 27.42 N +ATOM 1930 N PRO A 235 29.679 84.643 92.997 1.00 18.15 N +ATOM 1931 CA PRO A 235 29.787 83.192 92.762 1.00 16.78 C +ATOM 1932 C PRO A 235 30.883 82.529 93.617 1.00 18.46 C +ATOM 1933 O PRO A 235 30.673 81.466 94.190 1.00 21.05 O +ATOM 1934 CB PRO A 235 30.127 83.120 91.269 1.00 20.53 C +ATOM 1935 CG PRO A 235 29.330 84.293 90.691 1.00 21.03 C +ATOM 1936 CD PRO A 235 29.590 85.396 91.735 1.00 20.42 C +ATOM 1937 N GLU A 236 32.029 83.182 93.737 1.00 20.23 N +ATOM 1938 CA GLU A 236 33.168 82.592 94.449 1.00 21.17 C +ATOM 1939 C GLU A 236 32.920 82.418 95.954 1.00 21.79 C +ATOM 1940 O GLU A 236 33.632 81.657 96.629 1.00 21.49 O +ATOM 1941 CB GLU A 236 34.409 83.463 94.219 1.00 19.12 C +ATOM 1942 CG GLU A 236 34.285 84.847 94.868 1.00 26.54 C +ATOM 1943 CD GLU A 236 35.586 85.647 94.888 1.00 40.96 C +ATOM 1944 OE1 GLU A 236 35.612 86.743 95.512 1.00 34.99 O +ATOM 1945 OE2 GLU A 236 36.580 85.185 94.287 1.00 42.04 O +ATOM 1946 N SER A 237 31.917 83.114 96.488 1.00 20.67 N +ATOM 1947 CA SER A 237 31.700 83.134 97.937 1.00 20.47 C +ATOM 1948 C SER A 237 30.237 82.995 98.333 1.00 19.75 C +ATOM 1949 O SER A 237 29.900 83.192 99.497 1.00 19.88 O +ATOM 1950 CB SER A 237 32.284 84.417 98.570 1.00 16.36 C +ATOM 1951 OG SER A 237 31.806 85.591 97.932 1.00 17.84 O +ATOM 1952 N MET A 238 29.375 82.634 97.385 1.00 16.53 N +ATOM 1953 CA MET A 238 27.939 82.726 97.627 1.00 19.22 C +ATOM 1954 C MET A 238 27.453 81.944 98.845 1.00 21.09 C +ATOM 1955 O MET A 238 26.555 82.403 99.555 1.00 17.95 O +ATOM 1956 CB MET A 238 27.139 82.318 96.386 1.00 18.47 C +ATOM 1957 CG MET A 238 27.368 80.876 95.972 1.00 20.05 C +ATOM 1958 SD MET A 238 26.740 80.540 94.332 1.00 20.00 S +ATOM 1959 CE MET A 238 25.009 80.955 94.550 1.00 19.24 C +ATOM 1960 N TYR A 239 28.029 80.773 99.100 1.00 19.34 N +ATOM 1961 CA TYR A 239 27.503 79.933 100.179 1.00 22.60 C +ATOM 1962 C TYR A 239 27.863 80.481 101.561 1.00 22.92 C +ATOM 1963 O TYR A 239 27.054 80.430 102.493 1.00 21.56 O +ATOM 1964 CB TYR A 239 27.931 78.464 100.003 1.00 23.11 C +ATOM 1965 CG TYR A 239 27.412 77.851 98.721 1.00 22.90 C +ATOM 1966 CD1 TYR A 239 26.060 77.600 98.549 1.00 29.22 C +ATOM 1967 CD2 TYR A 239 28.271 77.544 97.672 1.00 26.79 C +ATOM 1968 CE1 TYR A 239 25.574 77.059 97.377 1.00 33.57 C +ATOM 1969 CE2 TYR A 239 27.790 76.992 96.491 1.00 21.35 C +ATOM 1970 CZ TYR A 239 26.442 76.759 96.352 1.00 30.70 C +ATOM 1971 OH TYR A 239 25.949 76.220 95.189 1.00 28.79 O +ATOM 1972 N GLU A 240 29.068 81.023 101.680 1.00 23.93 N +ATOM 1973 CA GLU A 240 29.512 81.653 102.919 1.00 22.25 C +ATOM 1974 C GLU A 240 28.639 82.860 103.223 1.00 24.23 C +ATOM 1975 O GLU A 240 28.191 83.027 104.349 1.00 24.51 O +ATOM 1976 CB GLU A 240 30.962 82.117 102.833 1.00 25.94 C +ATOM 1977 CG GLU A 240 31.384 82.952 104.064 1.00 29.25 C +ATOM 1978 CD GLU A 240 32.669 83.729 103.856 1.00 43.29 C +ATOM 1979 OE1 GLU A 240 32.612 84.830 103.272 1.00 39.55 O +ATOM 1980 OE2 GLU A 240 33.740 83.241 104.278 1.00 53.35 O +ATOM 1981 N THR A 241 28.403 83.700 102.216 1.00 21.10 N +ATOM 1982 CA THR A 241 27.514 84.842 102.397 1.00 20.68 C +ATOM 1983 C THR A 241 26.104 84.415 102.805 1.00 16.25 C +ATOM 1984 O THR A 241 25.572 84.916 103.786 1.00 23.63 O +ATOM 1985 CB THR A 241 27.457 85.721 101.130 1.00 23.40 C +ATOM 1986 OG1 THR A 241 28.783 86.153 100.817 1.00 21.14 O +ATOM 1987 CG2 THR A 241 26.576 86.951 101.353 1.00 19.27 C +ATOM 1988 N TRP A 242 25.486 83.509 102.050 1.00 16.90 N +ATOM 1989 CA TRP A 242 24.126 83.091 102.378 1.00 20.04 C +ATOM 1990 C TRP A 242 24.024 82.406 103.744 1.00 24.02 C +ATOM 1991 O TRP A 242 23.046 82.587 104.471 1.00 22.37 O +ATOM 1992 CB TRP A 242 23.512 82.199 101.292 1.00 22.41 C +ATOM 1993 CG TRP A 242 22.041 82.041 101.515 1.00 24.39 C +ATOM 1994 CD1 TRP A 242 21.400 80.958 102.044 1.00 24.00 C +ATOM 1995 CD2 TRP A 242 21.033 83.030 101.272 1.00 19.12 C +ATOM 1996 NE1 TRP A 242 20.037 81.213 102.132 1.00 25.71 N +ATOM 1997 CE2 TRP A 242 19.795 82.478 101.661 1.00 21.39 C +ATOM 1998 CE3 TRP A 242 21.059 84.329 100.754 1.00 22.46 C +ATOM 1999 CZ2 TRP A 242 18.587 83.182 101.548 1.00 21.31 C +ATOM 2000 CZ3 TRP A 242 19.851 85.031 100.639 1.00 23.01 C +ATOM 2001 CH2 TRP A 242 18.638 84.452 101.034 1.00 23.22 C +ATOM 2002 N GLU A 243 25.034 81.627 104.106 1.00 27.16 N +ATOM 2003 CA GLU A 243 24.961 80.911 105.377 1.00 31.47 C +ATOM 2004 C GLU A 243 25.161 81.845 106.577 1.00 28.14 C +ATOM 2005 O GLU A 243 24.821 81.490 107.699 1.00 29.21 O +ATOM 2006 CB GLU A 243 25.907 79.697 105.377 1.00 32.35 C +ATOM 2007 CG GLU A 243 25.421 78.607 104.403 1.00 36.81 C +ATOM 2008 CD GLU A 243 26.460 77.521 104.107 1.00 48.36 C +ATOM 2009 OE1 GLU A 243 26.246 76.732 103.160 1.00 40.91 O +ATOM 2010 OE2 GLU A 243 27.482 77.448 104.815 1.00 49.09 O +ATOM 2011 N ASP A 244 25.654 83.058 106.320 1.00 23.46 N +ATOM 2012 CA ASP A 244 25.863 84.069 107.362 1.00 20.85 C +ATOM 2013 C ASP A 244 24.588 84.905 107.584 1.00 27.96 C +ATOM 2014 O ASP A 244 24.598 86.134 107.439 1.00 27.57 O +ATOM 2015 CB ASP A 244 27.028 84.989 106.980 1.00 26.23 C +ATOM 2016 CG ASP A 244 27.415 85.955 108.097 1.00 32.46 C +ATOM 2017 OD1 ASP A 244 27.858 87.082 107.782 1.00 25.11 O +ATOM 2018 OD2 ASP A 244 27.291 85.593 109.288 1.00 27.11 O +ATOM 2019 N ASP A 245 23.496 84.234 107.935 1.00 28.23 N +ATOM 2020 CA ASP A 245 22.207 84.913 108.089 1.00 30.37 C +ATOM 2021 C ASP A 245 22.164 85.787 109.338 1.00 33.61 C +ATOM 2022 O ASP A 245 22.941 85.601 110.273 1.00 28.87 O +ATOM 2023 CB ASP A 245 21.064 83.895 108.134 1.00 26.17 C +ATOM 2024 CG ASP A 245 21.179 82.953 109.312 1.00 35.21 C +ATOM 2025 OD1 ASP A 245 20.570 83.234 110.364 1.00 32.47 O +ATOM 2026 OD2 ASP A 245 21.902 81.946 109.195 1.00 37.48 O +ATOM 2027 N MET A 246 21.227 86.728 109.353 1.00 28.95 N +ATOM 2028 CA MET A 246 21.048 87.614 110.486 1.00 28.81 C +ATOM 2029 C MET A 246 19.826 87.146 111.259 1.00 32.26 C +ATOM 2030 O MET A 246 18.723 87.555 110.952 1.00 28.54 O +ATOM 2031 CB MET A 246 20.832 89.043 109.987 1.00 27.49 C +ATOM 2032 CG MET A 246 21.863 89.480 108.963 0.49 30.57 C +ATOM 2033 SD MET A 246 23.515 89.475 109.690 0.45 29.05 S +ATOM 2034 CE MET A 246 23.335 90.800 110.883 1.00 33.08 C +ATOM 2035 N ASP A 247 20.026 86.267 112.236 1.00 28.93 N +ATOM 2036 CA ASP A 247 18.922 85.727 113.022 1.00 33.78 C +ATOM 2037 C ASP A 247 17.860 85.068 112.165 1.00 34.19 C +ATOM 2038 O ASP A 247 16.676 85.240 112.433 1.00 33.80 O +ATOM 2039 CB ASP A 247 18.236 86.823 113.839 1.00 41.23 C +ATOM 2040 CG ASP A 247 19.067 87.292 115.009 1.00 51.60 C +ATOM 2041 OD1 ASP A 247 19.907 86.508 115.503 1.00 52.11 O +ATOM 2042 OD2 ASP A 247 18.867 88.450 115.439 1.00 56.30 O +ATOM 2043 N GLY A 248 18.270 84.348 111.123 1.00 25.13 N +ATOM 2044 CA GLY A 248 17.347 83.507 110.379 1.00 23.66 C +ATOM 2045 C GLY A 248 16.730 84.133 109.137 1.00 23.13 C +ATOM 2046 O GLY A 248 15.927 83.494 108.454 1.00 23.55 O +ATOM 2047 N ILE A 249 17.089 85.379 108.855 1.00 23.92 N +ATOM 2048 CA ILE A 249 16.623 86.054 107.638 1.00 24.80 C +ATOM 2049 C ILE A 249 17.766 86.795 106.968 1.00 23.45 C +ATOM 2050 O ILE A 249 18.801 87.028 107.581 1.00 20.26 O +ATOM 2051 CB ILE A 249 15.552 87.121 107.931 1.00 26.13 C +ATOM 2052 CG1 ILE A 249 16.125 88.185 108.865 1.00 27.16 C +ATOM 2053 CG2 ILE A 249 14.262 86.487 108.478 1.00 30.36 C +ATOM 2054 CD1 ILE A 249 15.178 89.309 109.152 1.00 36.67 C +ATOM 2055 N HIS A 250 17.549 87.181 105.711 1.00 20.04 N +ATOM 2056 CA HIS A 250 18.427 88.088 105.003 1.00 20.60 C +ATOM 2057 C HIS A 250 17.529 89.137 104.387 1.00 20.75 C +ATOM 2058 O HIS A 250 16.474 88.810 103.852 1.00 20.15 O +ATOM 2059 CB HIS A 250 19.126 87.393 103.823 1.00 17.84 C +ATOM 2060 CG HIS A 250 20.315 86.565 104.200 1.00 19.98 C +ATOM 2061 ND1 HIS A 250 21.454 87.107 104.760 1.00 19.42 N +ATOM 2062 CD2 HIS A 250 20.558 85.240 104.061 1.00 20.27 C +ATOM 2063 CE1 HIS A 250 22.340 86.149 104.965 1.00 19.62 C +ATOM 2064 NE2 HIS A 250 21.821 85.006 104.552 1.00 20.82 N +ATOM 2065 N ILE A 251 17.967 90.383 104.417 1.00 18.23 N +ATOM 2066 CA ILE A 251 17.401 91.367 103.523 1.00 17.33 C +ATOM 2067 C ILE A 251 18.121 91.200 102.190 1.00 22.86 C +ATOM 2068 O ILE A 251 19.353 91.231 102.146 1.00 19.25 O +ATOM 2069 CB ILE A 251 17.607 92.774 104.069 1.00 17.49 C +ATOM 2070 CG1 ILE A 251 16.956 92.879 105.456 1.00 23.58 C +ATOM 2071 CG2 ILE A 251 17.032 93.809 103.112 1.00 18.11 C +ATOM 2072 CD1 ILE A 251 17.390 94.120 106.221 1.00 23.73 C +ATOM 2073 N VAL A 252 17.353 91.000 101.118 1.00 17.74 N +ATOM 2074 CA VAL A 252 17.921 90.737 99.795 1.00 18.24 C +ATOM 2075 C VAL A 252 17.471 91.808 98.813 1.00 21.03 C +ATOM 2076 O VAL A 252 16.283 92.118 98.719 1.00 17.23 O +ATOM 2077 CB VAL A 252 17.471 89.370 99.240 1.00 16.55 C +ATOM 2078 CG1 VAL A 252 18.048 89.157 97.825 1.00 20.60 C +ATOM 2079 CG2 VAL A 252 17.899 88.257 100.160 1.00 18.06 C +ATOM 2080 N ALA A 253 18.420 92.394 98.099 1.00 13.61 N +ATOM 2081 CA ALA A 253 18.080 93.340 97.046 1.00 12.20 C +ATOM 2082 C ALA A 253 18.587 92.861 95.687 1.00 18.56 C +ATOM 2083 O ALA A 253 19.765 92.526 95.550 1.00 18.73 O +ATOM 2084 CB ALA A 253 18.656 94.691 97.352 1.00 18.05 C +ATOM 2085 N PHE A 254 17.702 92.835 94.689 1.00 16.81 N +ATOM 2086 CA PHE A 254 18.078 92.494 93.316 1.00 15.58 C +ATOM 2087 C PHE A 254 18.211 93.773 92.516 1.00 18.17 C +ATOM 2088 O PHE A 254 17.292 94.616 92.479 1.00 18.42 O +ATOM 2089 CB PHE A 254 17.007 91.616 92.625 1.00 15.22 C +ATOM 2090 CG PHE A 254 16.964 90.198 93.111 1.00 14.55 C +ATOM 2091 CD1 PHE A 254 17.841 89.239 92.599 1.00 14.61 C +ATOM 2092 CD2 PHE A 254 16.032 89.811 94.062 1.00 16.69 C +ATOM 2093 CE1 PHE A 254 17.802 87.938 93.020 1.00 15.75 C +ATOM 2094 CE2 PHE A 254 15.985 88.498 94.509 1.00 16.32 C +ATOM 2095 CZ PHE A 254 16.859 87.553 93.984 1.00 15.19 C +ATOM 2096 N ALA A 255 19.342 93.913 91.842 1.00 16.46 N +ATOM 2097 CA ALA A 255 19.586 95.098 91.039 1.00 19.24 C +ATOM 2098 C ALA A 255 20.591 94.768 89.947 1.00 18.57 C +ATOM 2099 O ALA A 255 21.712 94.325 90.229 1.00 18.08 O +ATOM 2100 CB ALA A 255 20.114 96.238 91.915 1.00 18.98 C +ATOM 2101 N GLU A 256 20.182 94.981 88.703 1.00 16.59 N +ATOM 2102 CA GLU A 256 21.066 94.749 87.564 1.00 15.23 C +ATOM 2103 C GLU A 256 21.874 96.013 87.303 1.00 17.97 C +ATOM 2104 O GLU A 256 21.362 97.019 86.822 1.00 19.84 O +ATOM 2105 CB GLU A 256 20.257 94.339 86.327 1.00 19.09 C +ATOM 2106 CG GLU A 256 21.139 93.928 85.169 1.00 30.87 C +ATOM 2107 CD GLU A 256 20.347 93.489 83.960 1.00 50.56 C +ATOM 2108 OE1 GLU A 256 19.113 93.266 84.103 1.00 30.15 O +ATOM 2109 OE2 GLU A 256 20.971 93.377 82.875 1.00 39.08 O +ATOM 2110 N GLU A 257 23.153 95.957 87.632 1.00 20.66 N +ATOM 2111 CA GLU A 257 23.967 97.160 87.658 1.00 21.15 C +ATOM 2112 C GLU A 257 24.012 97.805 86.270 1.00 19.92 C +ATOM 2113 O GLU A 257 24.110 99.022 86.147 1.00 23.33 O +ATOM 2114 CB GLU A 257 25.376 96.795 88.126 1.00 20.52 C +ATOM 2115 CG GLU A 257 26.337 97.945 88.216 1.00 22.87 C +ATOM 2116 CD GLU A 257 27.698 97.482 88.688 1.00 24.04 C +ATOM 2117 OE1 GLU A 257 28.066 96.313 88.421 1.00 23.54 O +ATOM 2118 OE2 GLU A 257 28.382 98.273 89.352 1.00 26.34 O +ATOM 2119 N ALA A 258 23.927 96.978 85.237 1.00 20.07 N +ATOM 2120 CA ALA A 258 24.099 97.445 83.860 1.00 25.31 C +ATOM 2121 C ALA A 258 22.839 98.102 83.320 1.00 27.00 C +ATOM 2122 O ALA A 258 22.836 98.648 82.227 1.00 30.46 O +ATOM 2123 CB ALA A 258 24.545 96.290 82.947 1.00 24.35 C +ATOM 2124 N ASP A 259 21.778 98.064 84.119 1.00 22.54 N +ATOM 2125 CA ASP A 259 20.471 98.560 83.726 1.00 24.80 C +ATOM 2126 C ASP A 259 20.252 99.882 84.445 1.00 28.31 C +ATOM 2127 O ASP A 259 20.702 100.043 85.575 1.00 27.24 O +ATOM 2128 CB ASP A 259 19.423 97.515 84.124 1.00 22.48 C +ATOM 2129 CG ASP A 259 18.014 98.012 83.977 1.00 31.75 C +ATOM 2130 OD1 ASP A 259 17.398 97.727 82.927 1.00 29.70 O +ATOM 2131 OD2 ASP A 259 17.524 98.674 84.918 1.00 24.22 O +ATOM 2132 N PRO A 260 19.596 100.851 83.781 1.00 25.14 N +ATOM 2133 CA PRO A 260 19.475 102.198 84.353 1.00 27.88 C +ATOM 2134 C PRO A 260 18.762 102.183 85.688 1.00 18.39 C +ATOM 2135 O PRO A 260 19.186 102.861 86.623 1.00 24.82 O +ATOM 2136 CB PRO A 260 18.604 102.945 83.331 1.00 31.88 C +ATOM 2137 CG PRO A 260 18.747 102.192 82.076 1.00 33.87 C +ATOM 2138 CD PRO A 260 18.993 100.757 82.443 1.00 33.37 C +ATOM 2139 N ASP A 261 17.675 101.430 85.776 1.00 21.82 N +ATOM 2140 CA ASP A 261 16.921 101.379 87.024 1.00 25.09 C +ATOM 2141 C ASP A 261 17.718 100.602 88.074 1.00 23.26 C +ATOM 2142 O ASP A 261 17.745 100.976 89.246 1.00 23.24 O +ATOM 2143 CB ASP A 261 15.563 100.721 86.803 1.00 22.43 C +ATOM 2144 CG ASP A 261 14.707 101.491 85.816 1.00 31.40 C +ATOM 2145 OD1 ASP A 261 14.609 102.720 85.968 1.00 33.02 O +ATOM 2146 OD2 ASP A 261 14.182 100.873 84.874 1.00 35.52 O +ATOM 2147 N GLY A 262 18.357 99.519 87.642 1.00 21.80 N +ATOM 2148 CA GLY A 262 19.140 98.695 88.558 1.00 20.96 C +ATOM 2149 C GLY A 262 20.268 99.516 89.153 1.00 20.52 C +ATOM 2150 O GLY A 262 20.546 99.456 90.354 1.00 18.97 O +ATOM 2151 N TYR A 263 20.906 100.308 88.298 1.00 18.92 N +ATOM 2152 CA TYR A 263 21.983 101.200 88.724 1.00 19.64 C +ATOM 2153 C TYR A 263 21.485 102.249 89.722 1.00 19.61 C +ATOM 2154 O TYR A 263 22.107 102.478 90.768 1.00 21.74 O +ATOM 2155 CB TYR A 263 22.637 101.895 87.522 1.00 26.31 C +ATOM 2156 CG TYR A 263 23.677 102.916 87.949 1.00 25.43 C +ATOM 2157 CD1 TYR A 263 24.988 102.534 88.203 1.00 35.93 C +ATOM 2158 CD2 TYR A 263 23.334 104.251 88.135 1.00 29.64 C +ATOM 2159 CE1 TYR A 263 25.944 103.463 88.605 1.00 38.52 C +ATOM 2160 CE2 TYR A 263 24.285 105.190 88.542 1.00 34.08 C +ATOM 2161 CZ TYR A 263 25.587 104.782 88.774 1.00 37.51 C +ATOM 2162 OH TYR A 263 26.538 105.697 89.178 1.00 45.84 O +ATOM 2163 N GLU A 264 20.366 102.890 89.408 1.00 20.63 N +ATOM 2164 CA GLU A 264 19.807 103.889 90.322 1.00 19.49 C +ATOM 2165 C GLU A 264 19.474 103.249 91.671 1.00 23.73 C +ATOM 2166 O GLU A 264 19.713 103.842 92.726 1.00 22.43 O +ATOM 2167 CB GLU A 264 18.548 104.538 89.730 1.00 21.20 C +ATOM 2168 CG GLU A 264 17.869 105.537 90.687 0.71 26.51 C +ATOM 2169 CD GLU A 264 16.626 106.207 90.104 0.61 32.92 C +ATOM 2170 OE1 GLU A 264 16.107 107.140 90.753 0.71 48.09 O +ATOM 2171 OE2 GLU A 264 16.163 105.809 89.011 1.00 35.76 O +ATOM 2172 N PHE A 265 18.931 102.032 91.631 1.00 20.41 N +ATOM 2173 CA PHE A 265 18.538 101.345 92.862 1.00 19.73 C +ATOM 2174 C PHE A 265 19.768 101.011 93.692 1.00 17.24 C +ATOM 2175 O PHE A 265 19.755 101.158 94.910 1.00 18.76 O +ATOM 2176 CB PHE A 265 17.711 100.077 92.566 1.00 17.08 C +ATOM 2177 CG PHE A 265 16.923 99.570 93.755 1.00 19.38 C +ATOM 2178 CD1 PHE A 265 15.996 100.387 94.395 1.00 20.37 C +ATOM 2179 CD2 PHE A 265 17.101 98.277 94.227 1.00 18.43 C +ATOM 2180 CE1 PHE A 265 15.259 99.929 95.479 1.00 20.75 C +ATOM 2181 CE2 PHE A 265 16.362 97.804 95.307 1.00 19.39 C +ATOM 2182 CZ PHE A 265 15.438 98.633 95.935 1.00 20.86 C +ATOM 2183 N LEU A 266 20.831 100.565 93.025 1.00 17.81 N +ATOM 2184 CA LEU A 266 22.092 100.292 93.699 1.00 18.21 C +ATOM 2185 C LEU A 266 22.606 101.548 94.413 1.00 17.99 C +ATOM 2186 O LEU A 266 23.087 101.476 95.538 1.00 16.90 O +ATOM 2187 CB LEU A 266 23.133 99.784 92.699 1.00 18.57 C +ATOM 2188 CG LEU A 266 24.527 99.545 93.263 1.00 19.24 C +ATOM 2189 CD1 LEU A 266 24.473 98.553 94.421 1.00 21.26 C +ATOM 2190 CD2 LEU A 266 25.452 99.033 92.145 1.00 23.73 C +ATOM 2191 N GLU A 267 22.498 102.705 93.770 1.00 17.98 N +ATOM 2192 CA GLU A 267 22.957 103.932 94.433 1.00 21.34 C +ATOM 2193 C GLU A 267 22.134 104.232 95.693 1.00 18.92 C +ATOM 2194 O GLU A 267 22.666 104.692 96.708 1.00 18.75 O +ATOM 2195 CB GLU A 267 22.956 105.121 93.467 1.00 23.81 C +ATOM 2196 CG GLU A 267 24.024 105.000 92.376 1.00 28.21 C +ATOM 2197 CD GLU A 267 25.442 104.974 92.942 1.00 30.62 C +ATOM 2198 OE1 GLU A 267 25.831 105.951 93.619 1.00 37.23 O +ATOM 2199 OE2 GLU A 267 26.162 103.974 92.728 1.00 34.52 O +ATOM 2200 N ILE A 268 20.842 103.938 95.632 1.00 19.65 N +ATOM 2201 CA ILE A 268 19.974 104.095 96.788 1.00 18.91 C +ATOM 2202 C ILE A 268 20.370 103.136 97.902 1.00 23.02 C +ATOM 2203 O ILE A 268 20.488 103.545 99.059 1.00 18.90 O +ATOM 2204 CB ILE A 268 18.479 103.911 96.415 1.00 21.10 C +ATOM 2205 CG1 ILE A 268 18.048 105.002 95.433 1.00 24.16 C +ATOM 2206 CG2 ILE A 268 17.585 103.991 97.680 1.00 16.56 C +ATOM 2207 CD1 ILE A 268 16.735 104.696 94.716 1.00 24.26 C +ATOM 2208 N LEU A 269 20.578 101.862 97.557 1.00 17.50 N +ATOM 2209 CA LEU A 269 21.032 100.870 98.542 1.00 16.10 C +ATOM 2210 C LEU A 269 22.337 101.311 99.200 1.00 15.39 C +ATOM 2211 O LEU A 269 22.521 101.133 100.398 1.00 15.63 O +ATOM 2212 CB LEU A 269 21.246 99.501 97.888 1.00 18.95 C +ATOM 2213 CG LEU A 269 20.018 98.848 97.258 1.00 20.50 C +ATOM 2214 CD1 LEU A 269 20.449 97.600 96.462 1.00 19.12 C +ATOM 2215 CD2 LEU A 269 18.990 98.494 98.348 1.00 20.14 C +ATOM 2216 N LYS A 270 23.253 101.865 98.418 1.00 16.36 N +ATOM 2217 CA LYS A 270 24.513 102.363 98.996 1.00 17.50 C +ATOM 2218 C LYS A 270 24.278 103.494 99.998 1.00 20.65 C +ATOM 2219 O LYS A 270 24.935 103.554 101.036 1.00 18.51 O +ATOM 2220 CB LYS A 270 25.483 102.811 97.898 1.00 17.28 C +ATOM 2221 CG LYS A 270 26.042 101.620 97.074 1.00 19.65 C +ATOM 2222 CD LYS A 270 26.591 102.075 95.719 1.00 26.46 C +ATOM 2223 CE LYS A 270 27.698 103.072 95.897 1.00 28.51 C +ATOM 2224 NZ LYS A 270 28.260 103.590 94.612 1.00 33.36 N +ATOM 2225 N SER A 271 23.354 104.393 99.680 1.00 21.76 N +ATOM 2226 CA SER A 271 22.949 105.438 100.635 1.00 21.89 C +ATOM 2227 C SER A 271 22.362 104.844 101.924 1.00 19.96 C +ATOM 2228 O SER A 271 22.676 105.290 103.028 1.00 22.82 O +ATOM 2229 CB SER A 271 21.919 106.370 99.997 1.00 26.62 C +ATOM 2230 OG SER A 271 22.475 107.055 98.891 1.00 34.70 O +ATOM 2231 N VAL A 272 21.482 103.854 101.786 1.00 20.16 N +ATOM 2232 CA VAL A 272 20.896 103.194 102.954 1.00 18.42 C +ATOM 2233 C VAL A 272 22.000 102.589 103.798 1.00 21.42 C +ATOM 2234 O VAL A 272 22.003 102.726 105.031 1.00 21.87 O +ATOM 2235 CB VAL A 272 19.907 102.076 102.564 1.00 24.03 C +ATOM 2236 CG1 VAL A 272 19.515 101.250 103.799 1.00 24.50 C +ATOM 2237 CG2 VAL A 272 18.658 102.668 101.884 1.00 23.42 C +ATOM 2238 N ALA A 273 22.947 101.930 103.127 1.00 17.81 N +ATOM 2239 CA ALA A 273 24.068 101.296 103.819 1.00 18.93 C +ATOM 2240 C ALA A 273 24.870 102.335 104.580 1.00 19.13 C +ATOM 2241 O ALA A 273 25.178 102.168 105.763 1.00 22.21 O +ATOM 2242 CB ALA A 273 24.974 100.544 102.801 1.00 21.05 C +ATOM 2243 N GLN A 274 25.213 103.410 103.885 1.00 18.62 N +ATOM 2244 CA GLN A 274 26.061 104.445 104.470 1.00 22.30 C +ATOM 2245 C GLN A 274 25.398 105.069 105.693 1.00 27.86 C +ATOM 2246 O GLN A 274 26.059 105.359 106.696 1.00 25.52 O +ATOM 2247 CB GLN A 274 26.414 105.504 103.428 1.00 20.39 C +ATOM 2248 CG GLN A 274 27.669 105.139 102.626 1.00 48.58 C +ATOM 2249 CD GLN A 274 27.588 105.491 101.146 1.00 47.98 C +ATOM 2250 OE1 GLN A 274 27.046 106.536 100.762 1.00 47.20 O +ATOM 2251 NE2 GLN A 274 28.135 104.612 100.302 1.00 29.66 N +ATOM 2252 N ASP A 275 24.080 105.217 105.637 1.00 23.23 N +ATOM 2253 CA ASP A 275 23.363 105.870 106.727 1.00 22.26 C +ATOM 2254 C ASP A 275 23.170 104.939 107.920 1.00 30.92 C +ATOM 2255 O ASP A 275 22.789 105.373 109.001 1.00 25.86 O +ATOM 2256 CB ASP A 275 22.013 106.394 106.237 1.00 27.19 C +ATOM 2257 CG ASP A 275 21.424 107.432 107.182 1.00 35.30 C +ATOM 2258 OD1 ASP A 275 22.209 108.210 107.779 1.00 30.02 O +ATOM 2259 OD2 ASP A 275 20.187 107.444 107.353 1.00 44.26 O +ATOM 2260 N ASN A 276 23.416 103.649 107.718 1.00 20.08 N +ATOM 2261 CA ASN A 276 23.234 102.678 108.791 1.00 25.70 C +ATOM 2262 C ASN A 276 24.480 101.861 109.073 1.00 26.92 C +ATOM 2263 O ASN A 276 24.403 100.763 109.614 1.00 26.85 O +ATOM 2264 CB ASN A 276 22.089 101.725 108.450 1.00 25.11 C +ATOM 2265 CG ASN A 276 20.748 102.415 108.438 1.00 30.18 C +ATOM 2266 OD1 ASN A 276 20.139 102.624 109.486 1.00 31.14 O +ATOM 2267 ND2 ASN A 276 20.281 102.783 107.249 1.00 25.72 N +ATOM 2268 N THR A 277 25.636 102.395 108.710 1.00 27.35 N +ATOM 2269 CA THR A 277 26.825 101.565 108.682 1.00 29.57 C +ATOM 2270 C THR A 277 27.228 101.050 110.061 1.00 36.34 C +ATOM 2271 O THR A 277 27.803 99.967 110.168 1.00 29.56 O +ATOM 2272 CB THR A 277 28.003 102.261 107.980 1.00 34.20 C +ATOM 2273 OG1 THR A 277 29.043 101.299 107.751 1.00 33.29 O +ATOM 2274 CG2 THR A 277 28.518 103.448 108.813 1.00 28.81 C +ATOM 2275 N ASP A 278 26.895 101.794 111.116 1.00 29.50 N +ATOM 2276 CA ASP A 278 27.295 101.379 112.462 1.00 39.70 C +ATOM 2277 C ASP A 278 26.293 100.443 113.132 1.00 41.42 C +ATOM 2278 O ASP A 278 26.521 99.956 114.247 1.00 36.05 O +ATOM 2279 CB ASP A 278 27.594 102.601 113.334 0.61 41.44 C +ATOM 2280 CG ASP A 278 28.848 103.334 112.883 0.76 38.30 C +ATOM 2281 OD1 ASP A 278 29.840 102.653 112.545 1.00 49.75 O +ATOM 2282 OD2 ASP A 278 28.830 104.581 112.846 0.81 48.87 O +ATOM 2283 N ASN A 279 25.193 100.174 112.440 1.00 30.79 N +ATOM 2284 CA ASN A 279 24.184 99.254 112.946 1.00 32.68 C +ATOM 2285 C ASN A 279 24.571 97.802 112.672 1.00 37.53 C +ATOM 2286 O ASN A 279 24.425 97.322 111.550 1.00 39.15 O +ATOM 2287 CB ASN A 279 22.829 99.567 112.293 1.00 29.39 C +ATOM 2288 CG ASN A 279 21.713 98.683 112.816 1.00 43.16 C +ATOM 2289 OD1 ASN A 279 21.961 97.650 113.444 1.00 39.86 O +ATOM 2290 ND2 ASN A 279 20.472 99.079 112.546 1.00 43.80 N +ATOM 2291 N PRO A 280 25.034 97.081 113.701 1.00 34.77 N +ATOM 2292 CA PRO A 280 25.574 95.740 113.464 1.00 38.37 C +ATOM 2293 C PRO A 280 24.480 94.728 113.116 1.00 39.09 C +ATOM 2294 O PRO A 280 24.781 93.609 112.691 1.00 41.04 O +ATOM 2295 CB PRO A 280 26.189 95.386 114.815 1.00 47.00 C +ATOM 2296 CG PRO A 280 25.296 96.076 115.796 1.00 42.37 C +ATOM 2297 CD PRO A 280 24.895 97.373 115.138 1.00 39.53 C +ATOM 2298 N ASP A 281 23.224 95.114 113.300 1.00 38.26 N +ATOM 2299 CA ASP A 281 22.111 94.204 113.037 1.00 38.30 C +ATOM 2300 C ASP A 281 21.654 94.263 111.581 1.00 42.74 C +ATOM 2301 O ASP A 281 20.798 93.486 111.163 1.00 35.86 O +ATOM 2302 CB ASP A 281 20.932 94.503 113.967 1.00 46.52 C +ATOM 2303 CG ASP A 281 21.234 94.185 115.429 1.00 48.87 C +ATOM 2304 OD1 ASP A 281 22.097 93.317 115.702 1.00 49.31 O +ATOM 2305 OD2 ASP A 281 20.592 94.806 116.306 1.00 47.86 O +ATOM 2306 N LEU A 282 22.227 95.180 110.809 1.00 36.00 N +ATOM 2307 CA LEU A 282 21.846 95.339 109.412 1.00 25.39 C +ATOM 2308 C LEU A 282 22.884 94.803 108.433 1.00 28.23 C +ATOM 2309 O LEU A 282 24.028 95.260 108.409 1.00 29.20 O +ATOM 2310 CB LEU A 282 21.577 96.808 109.096 1.00 26.58 C +ATOM 2311 CG LEU A 282 21.195 97.069 107.642 1.00 25.50 C +ATOM 2312 CD1 LEU A 282 19.853 96.389 107.300 1.00 28.26 C +ATOM 2313 CD2 LEU A 282 21.117 98.561 107.377 1.00 27.73 C +ATOM 2314 N SER A 283 22.486 93.836 107.618 1.00 27.59 N +ATOM 2315 CA SER A 283 23.269 93.500 106.435 1.00 23.73 C +ATOM 2316 C SER A 283 22.313 93.206 105.274 1.00 21.40 C +ATOM 2317 O SER A 283 21.322 92.490 105.427 1.00 29.65 O +ATOM 2318 CB SER A 283 24.231 92.322 106.680 1.00 30.45 C +ATOM 2319 OG SER A 283 25.138 92.153 105.569 1.00 27.30 O +ATOM 2320 N ILE A 284 22.585 93.817 104.137 1.00 13.80 N +ATOM 2321 CA ILE A 284 21.762 93.640 102.981 1.00 15.54 C +ATOM 2322 C ILE A 284 22.621 92.912 101.972 1.00 19.23 C +ATOM 2323 O ILE A 284 23.777 93.273 101.767 1.00 16.69 O +ATOM 2324 CB ILE A 284 21.359 94.989 102.404 1.00 19.32 C +ATOM 2325 CG1 ILE A 284 20.508 95.766 103.423 1.00 22.57 C +ATOM 2326 CG2 ILE A 284 20.611 94.804 101.076 1.00 16.78 C +ATOM 2327 CD1 ILE A 284 20.281 97.211 103.004 1.00 23.66 C +ATOM 2328 N ILE A 285 22.063 91.883 101.355 1.00 15.66 N +ATOM 2329 CA ILE A 285 22.761 91.188 100.281 1.00 12.36 C +ATOM 2330 C ILE A 285 22.284 91.722 98.943 1.00 16.48 C +ATOM 2331 O ILE A 285 21.090 91.653 98.634 1.00 15.97 O +ATOM 2332 CB ILE A 285 22.519 89.684 100.319 1.00 16.56 C +ATOM 2333 CG1 ILE A 285 23.128 89.079 101.596 1.00 20.75 C +ATOM 2334 CG2 ILE A 285 23.117 89.030 99.054 1.00 17.18 C +ATOM 2335 CD1 ILE A 285 22.837 87.580 101.749 1.00 21.99 C +ATOM 2336 N TRP A 286 23.211 92.267 98.161 1.00 13.77 N +ATOM 2337 CA TRP A 286 22.888 92.699 96.821 1.00 14.68 C +ATOM 2338 C TRP A 286 23.149 91.560 95.864 1.00 16.12 C +ATOM 2339 O TRP A 286 24.261 91.059 95.799 1.00 13.47 O +ATOM 2340 CB TRP A 286 23.762 93.879 96.408 1.00 14.49 C +ATOM 2341 CG TRP A 286 23.713 94.146 94.924 1.00 16.24 C +ATOM 2342 CD1 TRP A 286 22.644 93.920 94.064 1.00 16.16 C +ATOM 2343 CD2 TRP A 286 24.772 94.657 94.117 1.00 16.30 C +ATOM 2344 NE1 TRP A 286 22.995 94.274 92.790 1.00 15.65 N +ATOM 2345 CE2 TRP A 286 24.296 94.726 92.794 1.00 17.67 C +ATOM 2346 CE3 TRP A 286 26.092 95.056 94.384 1.00 15.50 C +ATOM 2347 CZ2 TRP A 286 25.087 95.185 91.742 1.00 16.26 C +ATOM 2348 CZ3 TRP A 286 26.875 95.529 93.338 1.00 16.68 C +ATOM 2349 CH2 TRP A 286 26.365 95.589 92.031 1.00 17.04 C +ATOM 2350 N ILE A 287 22.127 91.152 95.120 1.00 13.81 N +ATOM 2351 CA ILE A 287 22.319 90.176 94.063 1.00 14.83 C +ATOM 2352 C ILE A 287 22.097 90.826 92.720 1.00 19.27 C +ATOM 2353 O ILE A 287 21.030 91.413 92.481 1.00 15.53 O +ATOM 2354 CB ILE A 287 21.323 89.000 94.184 1.00 12.55 C +ATOM 2355 CG1 ILE A 287 21.533 88.299 95.529 1.00 15.77 C +ATOM 2356 CG2 ILE A 287 21.495 88.023 92.989 1.00 16.16 C +ATOM 2357 CD1 ILE A 287 20.512 87.182 95.806 1.00 20.08 C +ATOM 2358 N ASP A 288 23.091 90.738 91.835 1.00 16.35 N +ATOM 2359 CA ASP A 288 22.871 91.164 90.454 1.00 13.14 C +ATOM 2360 C ASP A 288 22.458 89.935 89.663 1.00 16.29 C +ATOM 2361 O ASP A 288 23.233 88.999 89.521 1.00 19.99 O +ATOM 2362 CB ASP A 288 24.134 91.788 89.849 1.00 16.34 C +ATOM 2363 CG ASP A 288 23.880 92.426 88.486 1.00 19.38 C +ATOM 2364 OD1 ASP A 288 23.026 91.913 87.730 1.00 18.11 O +ATOM 2365 OD2 ASP A 288 24.540 93.441 88.163 1.00 18.04 O +ATOM 2366 N PRO A 289 21.215 89.916 89.163 1.00 16.55 N +ATOM 2367 CA PRO A 289 20.738 88.710 88.462 1.00 15.27 C +ATOM 2368 C PRO A 289 21.618 88.302 87.278 1.00 17.85 C +ATOM 2369 O PRO A 289 21.654 87.132 86.910 1.00 17.90 O +ATOM 2370 CB PRO A 289 19.353 89.123 87.926 1.00 22.11 C +ATOM 2371 CG PRO A 289 18.977 90.366 88.629 1.00 26.18 C +ATOM 2372 CD PRO A 289 20.258 91.034 89.096 1.00 15.61 C +ATOM 2373 N ASP A 290 22.278 89.266 86.658 1.00 19.88 N +ATOM 2374 CA AASP A 290 23.123 88.952 85.514 0.49 21.72 C +ATOM 2375 CA BASP A 290 23.171 89.018 85.530 0.51 21.76 C +ATOM 2376 C ASP A 290 24.273 88.023 85.907 1.00 21.58 C +ATOM 2377 O ASP A 290 24.808 87.306 85.065 1.00 19.52 O +ATOM 2378 CB AASP A 290 23.659 90.226 84.851 0.49 21.34 C +ATOM 2379 CB BASP A 290 23.817 90.338 85.070 0.51 20.78 C +ATOM 2380 CG AASP A 290 24.338 89.944 83.512 0.49 25.57 C +ATOM 2381 CG BASP A 290 22.894 91.183 84.198 0.51 25.81 C +ATOM 2382 OD1AASP A 290 25.562 90.149 83.402 0.49 26.64 O +ATOM 2383 OD1BASP A 290 21.857 90.654 83.737 0.51 32.90 O +ATOM 2384 OD2AASP A 290 23.644 89.492 82.577 0.49 27.45 O +ATOM 2385 OD2BASP A 290 23.223 92.373 83.953 0.51 26.75 O +ATOM 2386 N ASP A 291 24.633 88.009 87.185 1.00 17.98 N +ATOM 2387 CA ASP A 291 25.722 87.155 87.669 1.00 20.76 C +ATOM 2388 C ASP A 291 25.322 85.691 87.843 1.00 20.30 C +ATOM 2389 O ASP A 291 26.200 84.817 87.999 1.00 16.55 O +ATOM 2390 CB ASP A 291 26.281 87.667 89.011 1.00 17.35 C +ATOM 2391 CG ASP A 291 27.050 88.979 88.875 1.00 25.85 C +ATOM 2392 OD1 ASP A 291 27.508 89.298 87.766 1.00 22.28 O +ATOM 2393 OD2 ASP A 291 27.183 89.700 89.884 1.00 20.94 O +ATOM 2394 N PHE A 292 24.011 85.432 87.864 1.00 19.08 N +ATOM 2395 CA PHE A 292 23.504 84.098 88.190 1.00 16.42 C +ATOM 2396 C PHE A 292 22.386 83.674 87.241 1.00 20.17 C +ATOM 2397 O PHE A 292 21.260 83.440 87.678 1.00 16.31 O +ATOM 2398 CB PHE A 292 22.983 84.059 89.634 1.00 17.13 C +ATOM 2399 CG PHE A 292 24.039 84.319 90.676 1.00 17.42 C +ATOM 2400 CD1 PHE A 292 24.785 83.270 91.194 1.00 15.26 C +ATOM 2401 CD2 PHE A 292 24.265 85.611 91.159 1.00 17.64 C +ATOM 2402 CE1 PHE A 292 25.759 83.500 92.178 1.00 22.13 C +ATOM 2403 CE2 PHE A 292 25.229 85.845 92.137 1.00 19.59 C +ATOM 2404 CZ PHE A 292 25.979 84.776 92.640 1.00 18.04 C +ATOM 2405 N PRO A 293 22.699 83.562 85.936 1.00 20.46 N +ATOM 2406 CA PRO A 293 21.673 83.285 84.929 1.00 22.01 C +ATOM 2407 C PRO A 293 20.906 82.001 85.193 1.00 23.34 C +ATOM 2408 O PRO A 293 19.723 81.958 84.862 1.00 21.76 O +ATOM 2409 CB PRO A 293 22.470 83.170 83.619 1.00 23.20 C +ATOM 2410 CG PRO A 293 23.891 82.893 84.039 1.00 24.22 C +ATOM 2411 CD PRO A 293 24.054 83.609 85.356 1.00 21.97 C +ATOM 2412 N LEU A 294 21.554 81.001 85.782 1.00 19.53 N +ATOM 2413 CA LEU A 294 20.929 79.701 86.038 1.00 19.89 C +ATOM 2414 C LEU A 294 19.953 79.690 87.218 1.00 22.09 C +ATOM 2415 O LEU A 294 19.169 78.752 87.362 1.00 24.07 O +ATOM 2416 CB LEU A 294 21.985 78.607 86.210 1.00 19.88 C +ATOM 2417 CG LEU A 294 22.908 78.419 84.997 1.00 22.19 C +ATOM 2418 CD1 LEU A 294 23.878 77.275 85.253 1.00 24.47 C +ATOM 2419 CD2 LEU A 294 22.079 78.153 83.746 1.00 18.43 C +ATOM 2420 N LEU A 295 19.973 80.745 88.030 1.00 16.27 N +ATOM 2421 CA LEU A 295 19.078 80.848 89.185 1.00 16.02 C +ATOM 2422 C LEU A 295 17.908 81.807 88.967 1.00 18.04 C +ATOM 2423 O LEU A 295 16.977 81.870 89.768 1.00 17.41 O +ATOM 2424 CB LEU A 295 19.865 81.287 90.441 1.00 15.90 C +ATOM 2425 CG LEU A 295 20.770 80.205 91.041 1.00 20.33 C +ATOM 2426 CD1 LEU A 295 21.674 80.735 92.170 1.00 18.35 C +ATOM 2427 CD2 LEU A 295 19.928 79.058 91.550 1.00 18.44 C +ATOM 2428 N VAL A 296 17.945 82.582 87.899 1.00 15.64 N +ATOM 2429 CA VAL A 296 16.883 83.568 87.707 1.00 15.90 C +ATOM 2430 C VAL A 296 15.488 82.928 87.605 1.00 19.17 C +ATOM 2431 O VAL A 296 14.554 83.397 88.240 1.00 18.09 O +ATOM 2432 CB VAL A 296 17.183 84.529 86.524 1.00 18.16 C +ATOM 2433 CG1 VAL A 296 15.959 85.368 86.183 1.00 17.51 C +ATOM 2434 CG2 VAL A 296 18.361 85.442 86.877 1.00 17.76 C +ATOM 2435 N PRO A 297 15.332 81.845 86.823 1.00 21.99 N +ATOM 2436 CA PRO A 297 13.978 81.254 86.795 1.00 21.23 C +ATOM 2437 C PRO A 297 13.526 80.802 88.183 1.00 17.84 C +ATOM 2438 O PRO A 297 12.399 81.047 88.592 1.00 19.55 O +ATOM 2439 CB PRO A 297 14.144 80.050 85.848 1.00 20.42 C +ATOM 2440 CG PRO A 297 15.207 80.528 84.876 1.00 21.62 C +ATOM 2441 CD PRO A 297 16.210 81.265 85.792 1.00 18.80 C +ATOM 2442 N TYR A 298 14.412 80.141 88.913 1.00 16.69 N +ATOM 2443 CA TYR A 298 14.100 79.728 90.265 1.00 17.11 C +ATOM 2444 C TYR A 298 13.690 80.912 91.168 1.00 22.04 C +ATOM 2445 O TYR A 298 12.697 80.834 91.907 1.00 19.65 O +ATOM 2446 CB TYR A 298 15.295 78.996 90.857 1.00 20.74 C +ATOM 2447 CG TYR A 298 15.196 78.794 92.346 1.00 25.04 C +ATOM 2448 CD1 TYR A 298 14.479 77.726 92.881 1.00 27.19 C +ATOM 2449 CD2 TYR A 298 15.829 79.672 93.225 1.00 24.61 C +ATOM 2450 CE1 TYR A 298 14.392 77.544 94.246 1.00 27.70 C +ATOM 2451 CE2 TYR A 298 15.750 79.493 94.578 1.00 25.24 C +ATOM 2452 CZ TYR A 298 15.033 78.433 95.086 1.00 29.82 C +ATOM 2453 OH TYR A 298 14.969 78.270 96.447 1.00 39.70 O +ATOM 2454 N TRP A 299 14.447 82.007 91.113 1.00 21.40 N +ATOM 2455 CA TRP A 299 14.139 83.175 91.948 1.00 16.88 C +ATOM 2456 C TRP A 299 12.789 83.783 91.580 1.00 21.14 C +ATOM 2457 O TRP A 299 11.956 84.099 92.447 1.00 19.43 O +ATOM 2458 CB TRP A 299 15.239 84.229 91.811 1.00 16.51 C +ATOM 2459 CG TRP A 299 16.494 83.875 92.571 1.00 19.69 C +ATOM 2460 CD1 TRP A 299 16.588 83.141 93.731 1.00 16.70 C +ATOM 2461 CD2 TRP A 299 17.827 84.232 92.209 1.00 15.78 C +ATOM 2462 NE1 TRP A 299 17.917 83.033 94.109 1.00 20.88 N +ATOM 2463 CE2 TRP A 299 18.690 83.699 93.190 1.00 22.75 C +ATOM 2464 CE3 TRP A 299 18.375 84.955 91.148 1.00 17.32 C +ATOM 2465 CZ2 TRP A 299 20.084 83.872 93.133 1.00 15.94 C +ATOM 2466 CZ3 TRP A 299 19.749 85.119 91.093 1.00 17.62 C +ATOM 2467 CH2 TRP A 299 20.582 84.590 92.081 1.00 13.04 C +ATOM 2468 N GLU A 300 12.571 83.940 90.286 1.00 19.18 N +ATOM 2469 CA GLU A 300 11.319 84.528 89.832 1.00 19.77 C +ATOM 2470 C GLU A 300 10.120 83.662 90.258 1.00 20.72 C +ATOM 2471 O GLU A 300 9.111 84.186 90.726 1.00 21.72 O +ATOM 2472 CB GLU A 300 11.368 84.800 88.324 1.00 19.13 C +ATOM 2473 CG GLU A 300 12.231 86.014 87.990 1.00 20.09 C +ATOM 2474 CD GLU A 300 12.224 86.386 86.523 1.00 22.83 C +ATOM 2475 OE1 GLU A 300 11.951 85.504 85.680 1.00 27.78 O +ATOM 2476 OE2 GLU A 300 12.514 87.556 86.206 1.00 24.51 O +ATOM 2477 N LYS A 301 10.252 82.347 90.140 1.00 21.86 N +ATOM 2478 CA LYS A 301 9.188 81.435 90.559 1.00 27.21 C +ATOM 2479 C LYS A 301 9.009 81.416 92.073 1.00 24.04 C +ATOM 2480 O LYS A 301 7.899 81.534 92.580 1.00 24.91 O +ATOM 2481 CB LYS A 301 9.471 80.016 90.059 1.00 28.88 C +ATOM 2482 CG LYS A 301 8.458 78.965 90.521 1.00 35.83 C +ATOM 2483 CD LYS A 301 8.807 77.586 89.964 1.00 40.78 C +ATOM 2484 CE LYS A 301 7.874 76.495 90.492 1.00 42.50 C +ATOM 2485 NZ LYS A 301 8.284 75.143 90.011 1.00 44.05 N +ATOM 2486 N THR A 302 10.112 81.288 92.797 1.00 21.06 N +ATOM 2487 CA THR A 302 10.077 81.133 94.243 1.00 22.37 C +ATOM 2488 C THR A 302 9.614 82.394 94.979 1.00 27.92 C +ATOM 2489 O THR A 302 8.831 82.324 95.931 1.00 24.12 O +ATOM 2490 CB THR A 302 11.474 80.725 94.768 1.00 24.71 C +ATOM 2491 OG1 THR A 302 11.888 79.524 94.113 1.00 27.25 O +ATOM 2492 CG2 THR A 302 11.449 80.487 96.263 1.00 26.01 C +ATOM 2493 N PHE A 303 10.100 83.545 94.530 1.00 21.62 N +ATOM 2494 CA PHE A 303 9.800 84.818 95.178 1.00 22.90 C +ATOM 2495 C PHE A 303 8.624 85.533 94.510 1.00 22.64 C +ATOM 2496 O PHE A 303 8.143 86.538 95.016 1.00 23.29 O +ATOM 2497 CB PHE A 303 11.041 85.734 95.149 1.00 21.18 C +ATOM 2498 CG PHE A 303 12.225 85.181 95.895 1.00 18.93 C +ATOM 2499 CD1 PHE A 303 12.050 84.425 97.046 1.00 24.11 C +ATOM 2500 CD2 PHE A 303 13.517 85.403 95.439 1.00 19.98 C +ATOM 2501 CE1 PHE A 303 13.149 83.909 97.734 1.00 26.48 C +ATOM 2502 CE2 PHE A 303 14.614 84.894 96.118 1.00 20.32 C +ATOM 2503 CZ PHE A 303 14.435 84.143 97.265 1.00 21.39 C +ATOM 2504 N ASP A 304 8.198 85.030 93.354 1.00 23.99 N +ATOM 2505 CA ASP A 304 7.111 85.651 92.600 1.00 22.96 C +ATOM 2506 C ASP A 304 7.424 87.118 92.278 1.00 29.26 C +ATOM 2507 O ASP A 304 6.637 88.016 92.569 1.00 27.88 O +ATOM 2508 CB ASP A 304 5.790 85.528 93.383 1.00 27.94 C +ATOM 2509 CG ASP A 304 4.568 85.847 92.538 1.00 38.67 C +ATOM 2510 OD1 ASP A 304 3.535 86.251 93.121 1.00 43.06 O +ATOM 2511 OD2 ASP A 304 4.633 85.701 91.297 1.00 36.36 O +ATOM 2512 N ILE A 305 8.577 87.358 91.666 1.00 19.43 N +ATOM 2513 CA ILE A 305 8.968 88.708 91.296 1.00 18.75 C +ATOM 2514 C ILE A 305 9.519 88.723 89.879 1.00 19.99 C +ATOM 2515 O ILE A 305 9.874 87.684 89.339 1.00 23.09 O +ATOM 2516 CB ILE A 305 10.035 89.278 92.288 1.00 21.58 C +ATOM 2517 CG1 ILE A 305 11.225 88.325 92.407 1.00 22.57 C +ATOM 2518 CG2 ILE A 305 9.409 89.507 93.658 1.00 23.54 C +ATOM 2519 CD1 ILE A 305 12.285 88.787 93.449 1.00 20.18 C +ATOM 2520 N ASP A 306 9.562 89.903 89.274 1.00 21.26 N +ATOM 2521 CA ASP A 306 10.112 90.068 87.938 1.00 23.19 C +ATOM 2522 C ASP A 306 11.514 90.638 88.083 1.00 21.34 C +ATOM 2523 O ASP A 306 11.665 91.787 88.459 1.00 19.83 O +ATOM 2524 CB ASP A 306 9.237 91.040 87.158 1.00 28.14 C +ATOM 2525 CG ASP A 306 9.736 91.291 85.754 1.00 35.76 C +ATOM 2526 OD1 ASP A 306 10.882 90.893 85.418 1.00 23.85 O +ATOM 2527 OD2 ASP A 306 8.963 91.911 84.986 1.00 36.99 O +ATOM 2528 N LEU A 307 12.533 89.834 87.790 1.00 20.27 N +ATOM 2529 CA LEU A 307 13.912 90.263 88.004 1.00 20.91 C +ATOM 2530 C LEU A 307 14.422 91.190 86.908 1.00 22.36 C +ATOM 2531 O LEU A 307 15.575 91.596 86.918 1.00 24.25 O +ATOM 2532 CB LEU A 307 14.865 89.068 88.209 1.00 19.43 C +ATOM 2533 CG LEU A 307 14.693 88.344 89.551 1.00 19.02 C +ATOM 2534 CD1 LEU A 307 15.851 87.382 89.848 1.00 21.89 C +ATOM 2535 CD2 LEU A 307 14.558 89.342 90.667 1.00 21.65 C +ATOM 2536 N SER A 308 13.571 91.555 85.965 1.00 21.69 N +ATOM 2537 CA SER A 308 13.971 92.635 85.080 1.00 27.65 C +ATOM 2538 C SER A 308 13.746 94.001 85.754 1.00 23.77 C +ATOM 2539 O SER A 308 14.090 95.042 85.186 1.00 25.48 O +ATOM 2540 CB SER A 308 13.252 92.538 83.732 1.00 34.49 C +ATOM 2541 OG SER A 308 11.902 92.914 83.879 1.00 33.57 O +ATOM 2542 N ALA A 309 13.186 94.000 86.968 1.00 18.02 N +ATOM 2543 CA ALA A 309 13.050 95.236 87.752 1.00 18.85 C +ATOM 2544 C ALA A 309 13.812 95.088 89.062 1.00 18.16 C +ATOM 2545 O ALA A 309 13.929 93.993 89.559 1.00 19.06 O +ATOM 2546 CB ALA A 309 11.580 95.518 88.069 1.00 19.19 C +ATOM 2547 N PRO A 310 14.290 96.205 89.635 1.00 19.12 N +ATOM 2548 CA PRO A 310 14.915 96.160 90.965 1.00 22.44 C +ATOM 2549 C PRO A 310 13.912 95.620 91.979 1.00 20.34 C +ATOM 2550 O PRO A 310 12.703 95.826 91.803 1.00 19.26 O +ATOM 2551 CB PRO A 310 15.202 97.639 91.266 1.00 23.47 C +ATOM 2552 CG PRO A 310 15.261 98.299 89.911 1.00 24.62 C +ATOM 2553 CD PRO A 310 14.216 97.576 89.106 1.00 23.39 C +ATOM 2554 N GLN A 311 14.387 94.940 93.014 1.00 16.04 N +ATOM 2555 CA GLN A 311 13.495 94.405 94.030 1.00 16.48 C +ATOM 2556 C GLN A 311 14.205 94.495 95.367 1.00 21.99 C +ATOM 2557 O GLN A 311 15.430 94.466 95.417 1.00 18.55 O +ATOM 2558 CB GLN A 311 13.175 92.929 93.744 1.00 19.81 C +ATOM 2559 CG GLN A 311 12.676 92.632 92.338 1.00 16.51 C +ATOM 2560 CD GLN A 311 11.224 93.018 92.151 1.00 22.73 C +ATOM 2561 OE1 GLN A 311 10.528 93.332 93.119 1.00 23.10 O +ATOM 2562 NE2 GLN A 311 10.759 93.002 90.902 1.00 18.51 N +ATOM 2563 N ILE A 312 13.454 94.598 96.460 1.00 17.04 N +ATOM 2564 CA ILE A 312 14.070 94.428 97.767 1.00 12.78 C +ATOM 2565 C ILE A 312 13.086 93.692 98.647 1.00 20.08 C +ATOM 2566 O ILE A 312 11.866 93.917 98.572 1.00 17.47 O +ATOM 2567 CB ILE A 312 14.519 95.762 98.402 1.00 12.72 C +ATOM 2568 CG1 ILE A 312 15.325 95.480 99.674 1.00 18.68 C +ATOM 2569 CG2 ILE A 312 13.302 96.666 98.693 1.00 17.90 C +ATOM 2570 CD1 ILE A 312 15.988 96.680 100.279 1.00 18.57 C +ATOM 2571 N GLY A 313 13.598 92.773 99.448 1.00 16.26 N +ATOM 2572 CA GLY A 313 12.716 91.926 100.216 1.00 18.12 C +ATOM 2573 C GLY A 313 13.410 91.345 101.416 1.00 17.98 C +ATOM 2574 O GLY A 313 14.591 91.601 101.656 1.00 17.75 O +ATOM 2575 N VAL A 314 12.660 90.545 102.161 1.00 18.51 N +ATOM 2576 CA VAL A 314 13.193 89.834 103.298 1.00 19.17 C +ATOM 2577 C VAL A 314 12.900 88.360 103.090 1.00 22.22 C +ATOM 2578 O VAL A 314 11.773 87.993 102.769 1.00 20.46 O +ATOM 2579 CB VAL A 314 12.569 90.337 104.605 1.00 23.72 C +ATOM 2580 CG1 VAL A 314 13.117 89.549 105.768 1.00 21.59 C +ATOM 2581 CG2 VAL A 314 12.863 91.820 104.782 1.00 20.28 C +ATOM 2582 N VAL A 315 13.923 87.525 103.252 1.00 18.62 N +ATOM 2583 CA VAL A 315 13.827 86.100 102.959 1.00 18.25 C +ATOM 2584 C VAL A 315 14.111 85.267 104.206 1.00 29.62 C +ATOM 2585 O VAL A 315 15.112 85.480 104.878 1.00 21.90 O +ATOM 2586 CB VAL A 315 14.849 85.702 101.840 1.00 22.19 C +ATOM 2587 CG1 VAL A 315 14.773 84.211 101.545 1.00 21.68 C +ATOM 2588 CG2 VAL A 315 14.600 86.528 100.565 1.00 21.75 C +ATOM 2589 N ASN A 316 13.220 84.324 104.510 1.00 24.18 N +ATOM 2590 CA ASN A 316 13.421 83.357 105.587 1.00 26.51 C +ATOM 2591 C ASN A 316 14.335 82.218 105.105 1.00 22.19 C +ATOM 2592 O ASN A 316 13.990 81.491 104.172 1.00 25.02 O +ATOM 2593 CB ASN A 316 12.041 82.812 106.009 1.00 26.43 C +ATOM 2594 CG ASN A 316 12.102 81.877 107.208 1.00 36.30 C +ATOM 2595 OD1 ASN A 316 13.088 81.168 107.409 1.00 31.07 O +ATOM 2596 ND2 ASN A 316 11.019 81.863 108.008 1.00 32.33 N +ATOM 2597 N VAL A 317 15.511 82.074 105.718 1.00 26.48 N +ATOM 2598 CA VAL A 317 16.482 81.098 105.225 1.00 27.56 C +ATOM 2599 C VAL A 317 16.068 79.648 105.453 1.00 30.58 C +ATOM 2600 O VAL A 317 16.578 78.743 104.790 1.00 29.84 O +ATOM 2601 CB VAL A 317 17.903 81.316 105.803 1.00 26.11 C +ATOM 2602 CG1 VAL A 317 18.383 82.724 105.506 1.00 21.84 C +ATOM 2603 CG2 VAL A 317 17.930 81.020 107.295 1.00 31.78 C +ATOM 2604 N THR A 318 15.145 79.416 106.380 1.00 27.50 N +ATOM 2605 CA THR A 318 14.706 78.040 106.637 1.00 29.06 C +ATOM 2606 C THR A 318 13.903 77.439 105.484 1.00 32.51 C +ATOM 2607 O THR A 318 14.128 76.287 105.108 1.00 31.24 O +ATOM 2608 CB THR A 318 13.870 77.938 107.924 1.00 34.90 C +ATOM 2609 OG1 THR A 318 14.574 78.568 108.999 1.00 29.65 O +ATOM 2610 CG2 THR A 318 13.595 76.472 108.262 1.00 33.92 C +ATOM 2611 N ASP A 319 12.984 78.225 104.920 1.00 29.19 N +ATOM 2612 CA ASP A 319 12.024 77.730 103.930 1.00 31.93 C +ATOM 2613 C ASP A 319 11.893 78.606 102.682 1.00 31.00 C +ATOM 2614 O ASP A 319 11.068 78.337 101.811 1.00 30.31 O +ATOM 2615 CB ASP A 319 10.642 77.580 104.577 1.00 37.00 C +ATOM 2616 CG ASP A 319 10.085 78.903 105.096 1.00 42.74 C +ATOM 2617 OD1 ASP A 319 10.772 79.946 105.002 1.00 34.33 O +ATOM 2618 OD2 ASP A 319 8.956 78.891 105.624 1.00 36.80 O +ATOM 2619 N ALA A 320 12.693 79.661 102.605 1.00 28.10 N +ATOM 2620 CA ALA A 320 12.663 80.550 101.444 1.00 26.05 C +ATOM 2621 C ALA A 320 11.384 81.371 101.357 1.00 23.78 C +ATOM 2622 O ALA A 320 11.107 81.963 100.317 1.00 26.05 O +ATOM 2623 CB ALA A 320 12.871 79.763 100.146 1.00 24.28 C +ATOM 2624 N ASP A 321 10.591 81.381 102.425 1.00 25.29 N +ATOM 2625 CA ASP A 321 9.438 82.276 102.494 1.00 27.76 C +ATOM 2626 C ASP A 321 9.989 83.696 102.435 1.00 29.70 C +ATOM 2627 O ASP A 321 11.113 83.934 102.866 1.00 25.23 O +ATOM 2628 CB ASP A 321 8.668 82.083 103.800 1.00 28.40 C +ATOM 2629 CG ASP A 321 7.289 82.743 103.770 1.00 33.63 C +ATOM 2630 OD1 ASP A 321 6.786 83.050 102.664 1.00 32.53 O +ATOM 2631 OD2 ASP A 321 6.715 82.961 104.854 1.00 40.79 O +ATOM 2632 N SER A 322 9.214 84.635 101.906 1.00 27.17 N +ATOM 2633 CA SER A 322 9.748 85.973 101.656 1.00 23.66 C +ATOM 2634 C SER A 322 8.646 86.997 101.481 1.00 26.56 C +ATOM 2635 O SER A 322 7.505 86.653 101.190 1.00 24.72 O +ATOM 2636 CB SER A 322 10.606 85.978 100.384 1.00 22.04 C +ATOM 2637 OG SER A 322 9.820 85.748 99.220 1.00 21.19 O +ATOM 2638 N VAL A 323 9.006 88.264 101.628 1.00 19.45 N +ATOM 2639 CA VAL A 323 8.087 89.354 101.318 1.00 20.26 C +ATOM 2640 C VAL A 323 8.887 90.405 100.569 1.00 23.00 C +ATOM 2641 O VAL A 323 10.065 90.646 100.895 1.00 20.07 O +ATOM 2642 CB VAL A 323 7.454 89.958 102.591 1.00 21.37 C +ATOM 2643 CG1 VAL A 323 8.529 90.440 103.537 1.00 22.64 C +ATOM 2644 CG2 VAL A 323 6.534 91.108 102.234 1.00 26.00 C +ATOM 2645 N TRP A 324 8.259 91.013 99.567 1.00 16.06 N +ATOM 2646 CA TRP A 324 8.945 91.931 98.664 1.00 20.78 C +ATOM 2647 C TRP A 324 8.226 93.255 98.595 1.00 19.24 C +ATOM 2648 O TRP A 324 6.997 93.301 98.583 1.00 21.39 O +ATOM 2649 CB TRP A 324 9.099 91.310 97.262 1.00 19.33 C +ATOM 2650 CG TRP A 324 9.910 90.092 97.359 1.00 23.10 C +ATOM 2651 CD1 TRP A 324 9.467 88.832 97.629 1.00 21.89 C +ATOM 2652 CD2 TRP A 324 11.338 90.011 97.277 1.00 18.10 C +ATOM 2653 NE1 TRP A 324 10.527 87.968 97.697 1.00 20.89 N +ATOM 2654 CE2 TRP A 324 11.688 88.668 97.495 1.00 20.02 C +ATOM 2655 CE3 TRP A 324 12.350 90.943 97.037 1.00 16.83 C +ATOM 2656 CZ2 TRP A 324 13.008 88.232 97.479 1.00 20.16 C +ATOM 2657 CZ3 TRP A 324 13.666 90.502 97.013 1.00 19.68 C +ATOM 2658 CH2 TRP A 324 13.984 89.164 97.246 1.00 17.54 C +ATOM 2659 N MET A 325 9.000 94.331 98.541 1.00 16.05 N +ATOM 2660 CA MET A 325 8.449 95.678 98.542 1.00 19.05 C +ATOM 2661 C MET A 325 7.783 96.003 97.207 1.00 25.17 C +ATOM 2662 O MET A 325 8.380 95.836 96.138 1.00 21.34 O +ATOM 2663 CB MET A 325 9.548 96.695 98.829 1.00 18.34 C +ATOM 2664 CG MET A 325 9.035 98.104 99.033 1.00 22.26 C +ATOM 2665 SD MET A 325 10.388 99.262 99.277 1.00 24.74 S +ATOM 2666 CE MET A 325 9.443 100.761 99.570 1.00 24.90 C +ATOM 2667 N GLU A 326 6.540 96.468 97.270 1.00 19.08 N +ATOM 2668 CA GLU A 326 5.855 96.903 96.059 1.00 21.93 C +ATOM 2669 C GLU A 326 6.440 98.220 95.561 1.00 24.05 C +ATOM 2670 O GLU A 326 6.484 99.212 96.288 1.00 25.48 O +ATOM 2671 CB GLU A 326 4.357 97.070 96.329 1.00 29.84 C +ATOM 2672 CG GLU A 326 3.616 97.738 95.187 1.00 31.63 C +ATOM 2673 CD GLU A 326 3.663 96.918 93.911 1.00 39.36 C +ATOM 2674 OE1 GLU A 326 3.776 95.675 94.004 1.00 44.61 O +ATOM 2675 OE2 GLU A 326 3.596 97.522 92.817 1.00 50.57 O +ATOM 2676 N MET A 327 6.906 98.215 94.321 1.00 23.67 N +ATOM 2677 CA MET A 327 7.396 99.423 93.674 1.00 30.43 C +ATOM 2678 C MET A 327 6.759 99.572 92.292 1.00 38.53 C +ATOM 2679 O MET A 327 6.841 98.678 91.447 1.00 46.30 O +ATOM 2680 CB MET A 327 8.919 99.393 93.558 1.00 34.21 C +ATOM 2681 CG MET A 327 9.641 99.355 94.892 1.00 28.10 C +ATOM 2682 SD MET A 327 11.451 99.403 94.714 1.00 36.88 S +ATOM 2683 CE MET A 327 11.860 97.686 94.468 1.00 30.23 C +ATOM 2684 N ASP A 328 6.113 100.708 92.081 1.00 37.86 N +ATOM 2685 CA ASP A 328 5.442 101.016 90.830 1.00 34.80 C +ATOM 2686 C ASP A 328 6.460 101.531 89.824 1.00 35.06 C +ATOM 2687 O ASP A 328 7.059 102.580 90.034 1.00 35.99 O +ATOM 2688 CB ASP A 328 4.391 102.092 91.097 1.00 44.31 C +ATOM 2689 CG ASP A 328 3.643 102.504 89.851 1.00 58.16 C +ATOM 2690 OD1 ASP A 328 2.880 103.492 89.931 1.00 61.91 O +ATOM 2691 OD2 ASP A 328 3.824 101.850 88.799 1.00 55.56 O +ATOM 2692 N ASP A 329 6.656 100.806 88.727 1.00 38.54 N +ATOM 2693 CA ASP A 329 7.718 101.174 87.790 1.00 50.11 C +ATOM 2694 C ASP A 329 7.353 102.355 86.894 1.00 57.16 C +ATOM 2695 O ASP A 329 8.152 102.761 86.048 1.00 51.24 O +ATOM 2696 CB ASP A 329 8.174 99.977 86.952 1.00 55.60 C +ATOM 2697 CG ASP A 329 7.073 99.421 86.090 1.00 67.53 C +ATOM 2698 OD1 ASP A 329 6.342 98.524 86.568 1.00 76.67 O +ATOM 2699 OD2 ASP A 329 6.938 99.883 84.938 1.00 66.81 O +ATOM 2700 N GLU A 330 6.152 102.904 87.083 1.00 39.16 N +ATOM 2701 CA GLU A 330 5.765 104.130 86.389 1.00 48.62 C +ATOM 2702 C GLU A 330 6.063 105.358 87.238 1.00 54.74 C +ATOM 2703 O GLU A 330 5.796 106.487 86.828 1.00 56.31 O +ATOM 2704 CB GLU A 330 4.287 104.109 86.000 1.00 50.03 C +ATOM 2705 CG GLU A 330 3.950 103.124 84.887 1.00 52.01 C +ATOM 2706 CD GLU A 330 2.488 103.186 84.477 1.00 70.81 C +ATOM 2707 OE1 GLU A 330 1.679 103.774 85.230 1.00 70.48 O +ATOM 2708 OE2 GLU A 330 2.150 102.652 83.400 1.00 67.56 O +ATOM 2709 N GLU A 331 6.610 105.139 88.429 1.00 47.08 N +ATOM 2710 CA GLU A 331 7.074 106.255 89.242 1.00 46.92 C +ATOM 2711 C GLU A 331 8.537 106.078 89.660 1.00 48.77 C +ATOM 2712 O GLU A 331 9.146 105.039 89.390 1.00 43.74 O +ATOM 2713 CB GLU A 331 6.153 106.502 90.441 1.00 48.36 C +ATOM 2714 CG GLU A 331 5.997 105.343 91.414 1.00 55.20 C +ATOM 2715 CD GLU A 331 5.040 105.682 92.556 1.00 69.93 C +ATOM 2716 OE1 GLU A 331 5.103 105.025 93.623 1.00 63.33 O +ATOM 2717 OE2 GLU A 331 4.224 106.617 92.383 1.00 71.61 O +ATOM 2718 N ASP A 332 9.104 107.102 90.293 1.00 39.37 N +ATOM 2719 CA ASP A 332 10.503 107.047 90.701 1.00 45.61 C +ATOM 2720 C ASP A 332 10.706 105.922 91.702 1.00 38.14 C +ATOM 2721 O ASP A 332 9.780 105.551 92.412 1.00 30.67 O +ATOM 2722 CB ASP A 332 10.936 108.376 91.322 1.00 45.05 C +ATOM 2723 CG ASP A 332 10.774 109.544 90.367 1.00 59.30 C +ATOM 2724 OD1 ASP A 332 10.603 109.298 89.153 1.00 58.76 O +ATOM 2725 OD2 ASP A 332 10.824 110.704 90.830 1.00 55.07 O +ATOM 2726 N LEU A 333 11.922 105.389 91.769 1.00 30.40 N +ATOM 2727 CA LEU A 333 12.240 104.385 92.770 1.00 27.08 C +ATOM 2728 C LEU A 333 12.108 104.983 94.174 1.00 25.49 C +ATOM 2729 O LEU A 333 12.298 106.182 94.359 1.00 29.35 O +ATOM 2730 CB LEU A 333 13.662 103.860 92.531 1.00 25.95 C +ATOM 2731 CG LEU A 333 13.771 102.983 91.278 1.00 29.36 C +ATOM 2732 CD1 LEU A 333 15.226 102.717 90.885 1.00 32.06 C +ATOM 2733 CD2 LEU A 333 13.029 101.675 91.513 1.00 28.53 C +ATOM 2734 N PRO A 334 11.788 104.147 95.172 1.00 23.33 N +ATOM 2735 CA PRO A 334 11.682 104.657 96.543 1.00 27.03 C +ATOM 2736 C PRO A 334 12.997 105.302 96.972 1.00 28.14 C +ATOM 2737 O PRO A 334 14.059 104.861 96.540 1.00 25.71 O +ATOM 2738 CB PRO A 334 11.413 103.397 97.371 1.00 33.92 C +ATOM 2739 CG PRO A 334 10.867 102.404 96.404 1.00 38.93 C +ATOM 2740 CD PRO A 334 11.534 102.701 95.091 1.00 29.43 C +ATOM 2741 N SER A 335 12.918 106.336 97.799 1.00 29.63 N +ATOM 2742 CA SER A 335 14.105 106.997 98.314 1.00 28.84 C +ATOM 2743 C SER A 335 14.691 106.097 99.382 1.00 25.99 C +ATOM 2744 O SER A 335 14.049 105.134 99.805 1.00 22.35 O +ATOM 2745 CB SER A 335 13.738 108.356 98.920 1.00 30.80 C +ATOM 2746 OG SER A 335 13.000 108.173 100.113 1.00 28.76 O +ATOM 2747 N ALA A 336 15.915 106.392 99.811 1.00 27.73 N +ATOM 2748 CA ALA A 336 16.544 105.620 100.867 1.00 22.14 C +ATOM 2749 C ALA A 336 15.690 105.619 102.132 1.00 23.28 C +ATOM 2750 O ALA A 336 15.579 104.605 102.825 1.00 20.96 O +ATOM 2751 CB ALA A 336 17.946 106.180 101.172 1.00 23.89 C +ATOM 2752 N GLU A 337 15.089 106.762 102.438 1.00 26.90 N +ATOM 2753 CA GLU A 337 14.220 106.868 103.612 1.00 28.42 C +ATOM 2754 C GLU A 337 12.990 105.946 103.522 1.00 25.76 C +ATOM 2755 O GLU A 337 12.564 105.331 104.508 1.00 22.98 O +ATOM 2756 CB GLU A 337 13.798 108.328 103.812 1.00 31.62 C +ATOM 2757 CG GLU A 337 14.945 109.267 104.216 1.00 37.30 C +ATOM 2758 CD GLU A 337 15.845 109.737 103.050 1.00 36.70 C +ATOM 2759 OE1 GLU A 337 15.610 109.370 101.874 1.00 31.38 O +ATOM 2760 OE2 GLU A 337 16.798 110.506 103.324 1.00 48.03 O +ATOM 2761 N GLU A 338 12.425 105.844 102.332 1.00 22.13 N +ATOM 2762 CA GLU A 338 11.297 104.941 102.120 1.00 25.24 C +ATOM 2763 C GLU A 338 11.687 103.465 102.257 1.00 21.98 C +ATOM 2764 O GLU A 338 10.945 102.660 102.856 1.00 20.33 O +ATOM 2765 CB GLU A 338 10.714 105.172 100.739 1.00 25.17 C +ATOM 2766 CG GLU A 338 10.157 106.554 100.494 1.00 36.25 C +ATOM 2767 CD GLU A 338 9.855 106.745 99.023 1.00 34.74 C +ATOM 2768 OE1 GLU A 338 10.455 107.637 98.391 1.00 42.16 O +ATOM 2769 OE2 GLU A 338 9.045 105.963 98.490 1.00 43.70 O +ATOM 2770 N LEU A 339 12.844 103.099 101.692 1.00 18.84 N +ATOM 2771 CA LEU A 339 13.365 101.737 101.870 1.00 22.54 C +ATOM 2772 C LEU A 339 13.562 101.418 103.345 1.00 19.80 C +ATOM 2773 O LEU A 339 13.170 100.354 103.821 1.00 18.99 O +ATOM 2774 CB LEU A 339 14.699 101.522 101.123 1.00 20.29 C +ATOM 2775 CG LEU A 339 14.696 101.636 99.599 1.00 27.18 C +ATOM 2776 CD1 LEU A 339 15.948 100.956 99.042 1.00 24.20 C +ATOM 2777 CD2 LEU A 339 13.441 101.006 99.006 1.00 25.10 C +ATOM 2778 N GLU A 340 14.173 102.339 104.080 1.00 22.37 N +ATOM 2779 CA GLU A 340 14.417 102.079 105.490 1.00 22.14 C +ATOM 2780 C GLU A 340 13.096 101.932 106.244 1.00 20.17 C +ATOM 2781 O GLU A 340 12.946 101.047 107.074 1.00 21.39 O +ATOM 2782 CB GLU A 340 15.268 103.180 106.101 1.00 22.51 C +ATOM 2783 CG GLU A 340 16.649 103.253 105.464 1.00 25.17 C +ATOM 2784 CD GLU A 340 17.538 104.309 106.083 1.00 42.41 C +ATOM 2785 OE1 GLU A 340 18.189 105.036 105.304 1.00 34.80 O +ATOM 2786 OE2 GLU A 340 17.604 104.385 107.335 1.00 41.26 O +ATOM 2787 N ASP A 341 12.155 102.811 105.928 1.00 25.93 N +ATOM 2788 CA ASP A 341 10.814 102.793 106.514 1.00 20.19 C +ATOM 2789 C ASP A 341 10.136 101.450 106.245 1.00 21.56 C +ATOM 2790 O ASP A 341 9.507 100.860 107.127 1.00 25.19 O +ATOM 2791 CB ASP A 341 10.026 103.916 105.851 1.00 22.87 C +ATOM 2792 CG ASP A 341 8.773 104.288 106.605 1.00 46.56 C +ATOM 2793 OD1 ASP A 341 8.865 104.600 107.815 1.00 43.47 O +ATOM 2794 OD2 ASP A 341 7.693 104.281 105.967 1.00 40.22 O +ATOM 2795 N TRP A 342 10.240 100.977 105.006 1.00 21.59 N +ATOM 2796 CA TRP A 342 9.646 99.697 104.648 1.00 22.64 C +ATOM 2797 C TRP A 342 10.306 98.561 105.415 1.00 25.81 C +ATOM 2798 O TRP A 342 9.631 97.687 105.956 1.00 20.09 O +ATOM 2799 CB TRP A 342 9.708 99.455 103.130 1.00 21.00 C +ATOM 2800 CG TRP A 342 8.962 98.221 102.736 1.00 20.53 C +ATOM 2801 CD1 TRP A 342 7.610 98.110 102.554 1.00 23.71 C +ATOM 2802 CD2 TRP A 342 9.509 96.913 102.490 1.00 17.73 C +ATOM 2803 NE1 TRP A 342 7.284 96.818 102.211 1.00 22.96 N +ATOM 2804 CE2 TRP A 342 8.428 96.063 102.164 1.00 17.52 C +ATOM 2805 CE3 TRP A 342 10.806 96.379 102.513 1.00 18.49 C +ATOM 2806 CZ2 TRP A 342 8.601 94.708 101.869 1.00 24.22 C +ATOM 2807 CZ3 TRP A 342 10.975 95.041 102.216 1.00 20.71 C +ATOM 2808 CH2 TRP A 342 9.880 94.215 101.902 1.00 24.03 C +ATOM 2809 N LEU A 343 11.637 98.566 105.474 1.00 20.45 N +ATOM 2810 CA LEU A 343 12.329 97.529 106.209 1.00 20.56 C +ATOM 2811 C LEU A 343 11.887 97.526 107.679 1.00 21.28 C +ATOM 2812 O LEU A 343 11.636 96.471 108.253 1.00 24.40 O +ATOM 2813 CB LEU A 343 13.852 97.696 106.078 1.00 16.65 C +ATOM 2814 CG LEU A 343 14.406 97.381 104.674 1.00 24.57 C +ATOM 2815 CD1 LEU A 343 15.911 97.715 104.582 1.00 23.20 C +ATOM 2816 CD2 LEU A 343 14.161 95.908 104.280 1.00 18.10 C +ATOM 2817 N GLU A 344 11.780 98.712 108.273 1.00 23.42 N +ATOM 2818 CA GLU A 344 11.309 98.825 109.654 1.00 24.53 C +ATOM 2819 C GLU A 344 9.933 98.189 109.827 1.00 23.22 C +ATOM 2820 O GLU A 344 9.710 97.391 110.749 1.00 28.68 O +ATOM 2821 CB GLU A 344 11.282 100.296 110.102 1.00 26.83 C +ATOM 2822 CG GLU A 344 12.661 100.900 110.342 1.00 29.39 C +ATOM 2823 CD GLU A 344 12.609 102.375 110.746 1.00 49.20 C +ATOM 2824 OE1 GLU A 344 11.534 102.848 111.176 1.00 50.78 O +ATOM 2825 OE2 GLU A 344 13.652 103.059 110.630 1.00 60.26 O +ATOM 2826 N ASP A 345 9.018 98.541 108.931 1.00 27.96 N +ATOM 2827 CA ASP A 345 7.655 98.009 108.964 1.00 24.00 C +ATOM 2828 C ASP A 345 7.651 96.498 108.919 1.00 27.12 C +ATOM 2829 O ASP A 345 6.934 95.840 109.668 1.00 27.03 O +ATOM 2830 CB ASP A 345 6.866 98.507 107.755 1.00 24.57 C +ATOM 2831 CG ASP A 345 6.460 99.960 107.877 1.00 32.79 C +ATOM 2832 OD1 ASP A 345 6.626 100.534 108.980 1.00 26.96 O +ATOM 2833 OD2 ASP A 345 5.974 100.511 106.861 1.00 29.21 O +ATOM 2834 N VAL A 346 8.422 95.934 108.001 1.00 21.87 N +ATOM 2835 CA VAL A 346 8.410 94.489 107.832 1.00 19.26 C +ATOM 2836 C VAL A 346 9.093 93.780 109.005 1.00 26.21 C +ATOM 2837 O VAL A 346 8.608 92.762 109.495 1.00 26.81 O +ATOM 2838 CB VAL A 346 9.117 94.072 106.516 1.00 28.32 C +ATOM 2839 CG1 VAL A 346 9.430 92.572 106.522 1.00 29.87 C +ATOM 2840 CG2 VAL A 346 8.255 94.448 105.327 1.00 31.03 C +ATOM 2841 N LEU A 347 10.224 94.312 109.452 1.00 26.54 N +ATOM 2842 CA LEU A 347 11.022 93.597 110.448 1.00 30.00 C +ATOM 2843 C LEU A 347 10.518 93.762 111.887 1.00 42.74 C +ATOM 2844 O LEU A 347 10.876 92.972 112.764 1.00 43.13 O +ATOM 2845 CB LEU A 347 12.500 93.980 110.343 1.00 30.64 C +ATOM 2846 CG LEU A 347 13.151 93.584 109.012 1.00 35.29 C +ATOM 2847 CD1 LEU A 347 14.628 93.867 109.021 1.00 42.88 C +ATOM 2848 CD2 LEU A 347 12.890 92.120 108.734 1.00 40.37 C +ATOM 2849 N GLU A 348 9.691 94.778 112.128 1.00 41.22 N +ATOM 2850 CA GLU A 348 9.082 94.962 113.446 1.00 53.49 C +ATOM 2851 C GLU A 348 7.914 93.994 113.660 1.00 56.15 C +ATOM 2852 O GLU A 348 7.765 93.418 114.742 1.00 60.80 O +ATOM 2853 CB GLU A 348 8.609 96.406 113.646 1.00 49.50 C +ATOM 2854 CG GLU A 348 7.244 96.710 113.042 0.77 45.95 C +ATOM 2855 CD GLU A 348 6.668 98.024 113.532 0.00 48.81 C +ATOM 2856 OE1 GLU A 348 7.288 98.648 114.419 1.00 64.90 O +ATOM 2857 OE2 GLU A 348 5.596 98.430 113.033 1.00 45.80 O +ATOM 2858 N GLY A 349 7.099 93.817 112.620 0.77 52.21 N +ATOM 2859 CA GLY A 349 5.922 92.966 112.685 0.77 56.23 C +ATOM 2860 C GLY A 349 6.255 91.498 112.874 0.77 65.30 C +ATOM 2861 O GLY A 349 5.722 90.840 113.772 0.77 68.03 O +ATOM 2862 N GLU A 350 7.137 90.981 112.023 0.40 58.26 N +ATOM 2863 CA GLU A 350 7.573 89.592 112.119 0.85 60.72 C +ATOM 2864 C GLU A 350 8.880 89.487 112.898 0.49 60.99 C +ATOM 2865 O GLU A 350 9.210 90.364 113.699 0.83 61.21 O +ATOM 2866 CB GLU A 350 7.736 88.979 110.726 1.00 69.58 C +TER 2867 GLU A 350 +HETATM 2868 C1 NAG B 1 11.023 80.768 108.893 1.00 35.29 C +HETATM 2869 C2 NAG B 1 10.445 81.296 110.205 1.00 46.42 C +HETATM 2870 C3 NAG B 1 10.288 80.207 111.260 1.00 54.67 C +HETATM 2871 C4 NAG B 1 9.588 78.984 110.690 1.00 56.99 C +HETATM 2872 C5 NAG B 1 10.074 78.590 109.296 1.00 49.18 C +HETATM 2873 C6 NAG B 1 9.056 77.616 108.699 1.00 53.03 C +HETATM 2874 C7 NAG B 1 10.737 83.585 110.865 1.00 43.85 C +HETATM 2875 C8 NAG B 1 9.285 83.744 110.513 1.00 49.30 C +HETATM 2876 N2 NAG B 1 11.255 82.366 110.745 1.00 40.98 N +HETATM 2877 O3 NAG B 1 9.526 80.716 112.333 1.00 50.80 O +HETATM 2878 O4 NAG B 1 9.824 77.899 111.564 1.00 74.11 O +HETATM 2879 O5 NAG B 1 10.217 79.699 108.422 1.00 42.36 O +HETATM 2880 O6 NAG B 1 9.620 76.866 107.647 1.00 54.21 O +HETATM 2881 O7 NAG B 1 11.394 84.550 111.246 1.00 48.61 O +HETATM 2882 C1 NAG B 2 8.594 77.396 112.126 1.00 71.83 C +HETATM 2883 C2 NAG B 2 8.906 76.085 112.848 1.00 70.27 C +HETATM 2884 C3 NAG B 2 7.685 75.525 113.567 1.00 87.29 C +HETATM 2885 C4 NAG B 2 7.025 76.612 114.405 1.00 91.87 C +HETATM 2886 C5 NAG B 2 6.757 77.841 113.539 1.00 83.99 C +HETATM 2887 C6 NAG B 2 6.095 78.960 114.334 1.00 86.69 C +HETATM 2888 C7 NAG B 2 10.728 74.901 111.749 1.00 71.74 C +HETATM 2889 C8 NAG B 2 11.659 75.665 112.648 1.00 72.16 C +HETATM 2890 N2 NAG B 2 9.420 75.111 111.906 1.00 68.13 N +HETATM 2891 O3 NAG B 2 8.064 74.443 114.394 1.00 92.07 O +HETATM 2892 O4 NAG B 2 5.821 76.121 114.957 1.00 94.37 O +HETATM 2893 O5 NAG B 2 7.968 78.320 112.991 1.00 73.71 O +HETATM 2894 O6 NAG B 2 5.854 80.056 113.478 1.00 87.62 O +HETATM 2895 O7 NAG B 2 11.181 74.124 110.907 1.00 68.26 O +HETATM 2896 C1 MPD A 403 19.206 79.453 99.259 1.00 28.29 C +HETATM 2897 C2 MPD A 403 17.903 79.909 98.613 1.00 31.08 C +HETATM 2898 O2 MPD A 403 17.777 79.337 97.289 1.00 28.09 O +HETATM 2899 CM MPD A 403 16.742 79.400 99.462 1.00 37.07 C +HETATM 2900 C3 MPD A 403 17.826 81.422 98.476 1.00 30.99 C +HETATM 2901 C4 MPD A 403 18.914 81.991 97.564 1.00 29.40 C +HETATM 2902 O4 MPD A 403 18.836 81.451 96.261 1.00 27.74 O +HETATM 2903 C5 MPD A 403 18.782 83.499 97.473 1.00 33.12 C +HETATM 2904 C1 MPD A 404 16.177 100.622 110.957 1.00 39.73 C +HETATM 2905 C2 MPD A 404 16.621 99.633 109.885 1.00 47.56 C +HETATM 2906 O2 MPD A 404 15.518 98.756 109.554 1.00 54.65 O +HETATM 2907 CM MPD A 404 17.018 100.381 108.616 1.00 46.62 C +HETATM 2908 C3 MPD A 404 17.789 98.789 110.385 1.00 54.82 C +HETATM 2909 C4 MPD A 404 17.348 97.625 111.271 1.00 59.81 C +HETATM 2910 O4 MPD A 404 16.005 97.784 111.668 1.00 65.08 O +HETATM 2911 C5 MPD A 404 17.497 96.286 110.558 1.00 48.49 C +HETATM 2912 C1 MRD A 405 23.210 75.558 88.295 1.00 28.06 C +HETATM 2913 C2 MRD A 405 22.770 75.360 89.735 1.00 30.35 C +HETATM 2914 O2 MRD A 405 22.288 76.635 90.222 1.00 30.56 O +HETATM 2915 CM MRD A 405 23.962 74.922 90.573 1.00 30.81 C +HETATM 2916 C3 MRD A 405 21.661 74.321 89.893 1.00 26.27 C +HETATM 2917 C4 MRD A 405 20.444 74.503 88.989 1.00 34.87 C +HETATM 2918 O4 MRD A 405 19.753 75.704 89.260 1.00 26.04 O +HETATM 2919 C5 MRD A 405 19.481 73.336 89.207 1.00 31.79 C +HETATM 2920 CA CA A 406 41.108 59.590 96.329 0.63 35.80 CA2+ +HETATM 2921 CA CA A 407 29.052 98.991 108.247 0.52 23.76 CA2+ +HETATM 2922 CA CA A 408 44.162 109.024 106.784 0.57 36.83 CA2+ +HETATM 2923 CA CA A 409 49.982 97.775 117.479 0.55 29.96 CA2+ +HETATM 2924 NA NA A 410 39.774 88.282 95.308 1.00 32.90 NA1+ +HETATM 2925 NA NA A 411 14.880 80.847 109.829 1.00 43.66 NA1+ +HETATM 2926 O HOH A 501 38.726 59.371 95.416 1.00 35.12 O +HETATM 2927 O HOH A 502 28.591 98.260 103.454 1.00 17.86 O +HETATM 2928 O HOH A 503 27.052 93.759 88.751 1.00 18.06 O +HETATM 2929 O HOH A 504 10.687 94.482 95.572 1.00 16.87 O +HETATM 2930 O HOH A 505 57.481 100.675 107.743 1.00 19.86 O +HETATM 2931 O HOH A 506 46.855 101.306 111.313 1.00 18.92 O +HETATM 2932 O HOH A 507 24.563 94.172 85.564 1.00 21.92 O +HETATM 2933 O HOH A 508 29.285 86.567 98.153 1.00 17.11 O +HETATM 2934 O HOH A 509 63.837 96.921 99.628 1.00 19.73 O +HETATM 2935 O HOH A 510 51.481 96.140 109.799 1.00 17.31 O +HETATM 2936 O HOH A 511 40.765 67.068 82.248 1.00 20.81 O +HETATM 2937 O HOH A 512 16.496 92.976 89.189 1.00 19.59 O +HETATM 2938 O HOH A 513 23.916 80.910 87.552 1.00 21.18 O +HETATM 2939 O HOH A 514 43.054 94.990 115.990 1.00 21.84 O +HETATM 2940 O HOH A 515 44.145 76.660 79.090 1.00 21.64 O +HETATM 2941 O HOH A 516 51.572 98.697 110.942 1.00 19.33 O +HETATM 2942 O HOH A 517 25.601 89.471 92.322 1.00 16.23 O +HETATM 2943 O HOH A 518 30.822 74.454 84.925 1.00 16.41 O +HETATM 2944 O HOH A 519 5.747 89.804 98.482 1.00 21.34 O +HETATM 2945 O HOH A 520 44.761 106.898 107.622 1.00 26.15 O +HETATM 2946 O HOH A 521 17.410 95.615 88.383 1.00 19.46 O +HETATM 2947 O HOH A 522 46.513 103.478 114.230 1.00 21.77 O +HETATM 2948 O HOH A 523 60.957 97.418 98.919 1.00 19.39 O +HETATM 2949 O HOH A 524 38.515 64.166 81.688 1.00 22.32 O +HETATM 2950 O HOH A 525 33.088 95.266 106.136 1.00 23.43 O +HETATM 2951 O HOH A 526 16.692 78.730 87.975 1.00 21.57 O +HETATM 2952 O HOH A 527 34.138 97.221 92.919 1.00 21.33 O +HETATM 2953 O HOH A 528 53.182 90.422 113.631 1.00 19.84 O +HETATM 2954 O HOH A 529 40.920 85.351 87.981 1.00 26.56 O +HETATM 2955 O HOH A 530 36.988 60.728 105.951 1.00 33.33 O +HETATM 2956 O HOH A 531 31.559 76.914 83.916 1.00 24.69 O +HETATM 2957 O HOH A 532 54.000 95.122 113.241 1.00 21.98 O +HETATM 2958 O HOH A 533 24.722 106.383 96.855 1.00 26.15 O +HETATM 2959 O HOH A 534 43.358 105.458 102.606 1.00 25.66 O +HETATM 2960 O HOH A 535 46.180 89.242 95.715 1.00 26.01 O +HETATM 2961 O HOH A 536 59.768 95.894 96.832 1.00 31.86 O +HETATM 2962 O HOH A 537 16.068 96.849 86.459 1.00 24.33 O +HETATM 2963 O HOH A 538 46.898 76.822 82.209 1.00 26.42 O +HETATM 2964 O HOH A 539 33.358 73.547 98.473 1.00 26.76 O +HETATM 2965 O HOH A 540 20.643 86.513 84.255 1.00 25.83 O +HETATM 2966 O HOH A 541 34.756 101.195 99.093 1.00 27.96 O +HETATM 2967 O HOH A 542 61.235 97.380 110.153 1.00 26.56 O +HETATM 2968 O HOH A 543 44.577 97.203 116.517 1.00 31.40 O +HETATM 2969 O HOH A 544 32.218 98.233 91.064 1.00 27.37 O +HETATM 2970 O HOH A 545 39.452 105.773 111.533 1.00 25.92 O +HETATM 2971 O HOH A 546 25.934 96.682 109.378 1.00 25.98 O +HETATM 2972 O HOH A 547 38.485 104.148 97.718 1.00 29.69 O +HETATM 2973 O HOH A 548 35.968 98.852 99.723 1.00 20.81 O +HETATM 2974 O HOH A 549 9.116 83.061 98.922 1.00 23.47 O +HETATM 2975 O HOH A 550 29.960 95.104 91.597 1.00 18.04 O +HETATM 2976 O HOH A 551 26.912 62.430 94.807 1.00 26.24 O +HETATM 2977 O HOH A 552 32.857 97.000 108.528 1.00 26.25 O +HETATM 2978 O HOH A 553 34.611 80.521 99.003 1.00 28.25 O +HETATM 2979 O HOH A 554 29.568 97.766 91.707 1.00 26.61 O +HETATM 2980 O HOH A 555 26.496 67.711 90.553 1.00 24.64 O +HETATM 2981 O HOH A 556 55.093 101.592 96.417 1.00 28.78 O +HETATM 2982 O HOH A 557 7.733 91.941 90.321 1.00 25.57 O +HETATM 2983 O HOH A 558 24.040 78.829 89.395 1.00 29.85 O +HETATM 2984 O HOH A 559 20.023 107.769 97.490 1.00 33.24 O +HETATM 2985 O HOH A 560 10.424 81.184 86.690 1.00 25.15 O +HETATM 2986 O HOH A 561 36.511 76.934 73.571 1.00 32.01 O +HETATM 2987 O HOH A 562 25.367 84.417 110.905 1.00 37.42 O +HETATM 2988 O HOH A 563 54.234 106.360 111.744 1.00 33.77 O +HETATM 2989 O HOH A 564 46.949 84.063 88.165 1.00 24.82 O +HETATM 2990 O HOH A 565 30.820 89.748 98.770 1.00 26.04 O +HETATM 2991 O HOH A 566 61.465 99.886 108.579 1.00 27.81 O +HETATM 2992 O HOH A 567 28.034 70.467 92.961 1.00 30.89 O +HETATM 2993 O HOH A 568 62.650 98.731 106.378 1.00 25.50 O +HETATM 2994 O HOH A 569 49.445 103.849 117.775 1.00 31.12 O +HETATM 2995 O HOH A 570 34.498 71.651 75.217 1.00 31.37 O +HETATM 2996 O HOH A 571 29.974 75.236 99.920 1.00 29.80 O +HETATM 2997 O HOH A 572 30.223 88.380 104.266 1.00 31.17 O +HETATM 2998 O HOH A 573 39.241 98.912 90.145 1.00 29.40 O +HETATM 2999 O HOH A 574 30.608 95.481 88.972 1.00 23.89 O +HETATM 3000 O HOH A 575 34.456 68.453 73.923 1.00 25.81 O +HETATM 3001 O HOH A 576 32.615 96.932 88.942 1.00 33.04 O +HETATM 3002 O HOH A 577 35.125 74.341 71.198 1.00 35.23 O +HETATM 3003 O HOH A 578 43.556 108.082 110.017 1.00 32.25 O +HETATM 3004 O HOH A 579 30.913 91.216 103.947 1.00 28.72 O +HETATM 3005 O HOH A 580 41.922 68.940 72.412 1.00 36.49 O +HETATM 3006 O HOH A 581 42.151 107.836 106.231 1.00 32.49 O +HETATM 3007 O HOH A 582 45.021 67.657 88.066 1.00 26.27 O +HETATM 3008 O HOH A 583 44.272 87.397 93.946 1.00 28.41 O +HETATM 3009 O HOH A 584 25.196 77.568 93.111 1.00 34.24 O +HETATM 3010 O HOH A 585 31.185 75.052 97.414 1.00 27.98 O +HETATM 3011 O HOH A 586 58.293 90.744 99.746 1.00 37.02 O +HETATM 3012 O HOH A 587 38.791 61.193 107.791 1.00 34.87 O +HETATM 3013 O HOH A 588 28.972 81.630 106.462 1.00 29.32 O +HETATM 3014 O HOH A 589 45.470 70.450 85.941 1.00 25.06 O +HETATM 3015 O HOH A 590 18.182 57.824 92.071 1.00 34.91 O +HETATM 3016 O HOH A 591 35.778 75.353 66.787 1.00 34.92 O +HETATM 3017 O HOH A 592 7.868 93.169 93.516 1.00 27.54 O +HETATM 3018 O HOH A 593 21.485 80.970 106.143 1.00 31.52 O +HETATM 3019 O HOH A 594 25.386 79.559 91.392 1.00 28.01 O +HETATM 3020 O HOH A 595 10.864 103.104 88.351 1.00 41.39 O +HETATM 3021 O HOH A 596 18.293 79.089 102.851 1.00 31.66 O +HETATM 3022 O HOH A 597 27.600 73.562 88.185 1.00 25.32 O +HETATM 3023 O HOH A 598 19.703 106.593 92.832 1.00 33.35 O +HETATM 3024 O HOH A 599 49.261 64.625 88.025 1.00 37.11 O +HETATM 3025 O HOH A 600 54.609 104.067 113.464 1.00 30.99 O +HETATM 3026 O HOH A 601 48.332 78.538 80.456 1.00 28.14 O +HETATM 3027 O HOH A 602 37.466 84.620 92.075 1.00 32.71 O +HETATM 3028 O HOH A 603 55.703 88.436 105.552 1.00 30.07 O +HETATM 3029 O HOH A 604 27.110 82.412 88.240 1.00 27.87 O +HETATM 3030 O HOH A 605 34.976 101.728 105.869 1.00 28.13 O +HETATM 3031 O HOH A 606 33.687 95.038 90.237 1.00 32.90 O +HETATM 3032 O HOH A 607 8.904 103.138 92.499 1.00 37.95 O +HETATM 3033 O HOH A 608 27.221 75.827 89.341 1.00 31.37 O +HETATM 3034 O HOH A 609 46.486 74.209 80.067 1.00 31.26 O +HETATM 3035 O HOH A 610 30.000 63.352 98.011 1.00 32.15 O +HETATM 3036 O HOH A 611 23.502 107.998 103.291 1.00 33.00 O +HETATM 3037 O HOH A 612 58.589 102.161 111.318 1.00 28.77 O +HETATM 3038 O HOH A 613 5.503 99.401 98.990 1.00 30.72 O +HETATM 3039 O HOH A 614 43.430 93.292 118.308 1.00 25.25 O +HETATM 3040 O HOH A 615 53.901 95.556 115.952 1.00 31.20 O +HETATM 3041 O HOH A 616 53.589 60.216 97.842 1.00 35.97 O +HETATM 3042 O HOH A 617 59.154 91.238 102.453 1.00 32.35 O +HETATM 3043 O HOH A 618 29.098 89.023 91.510 1.00 34.53 O +HETATM 3044 O HOH A 619 44.584 59.015 89.823 1.00 29.54 O +HETATM 3045 O HOH A 620 19.642 90.715 106.854 1.00 30.04 O +HETATM 3046 O HOH A 621 46.429 109.711 108.510 1.00 35.28 O +HETATM 3047 O HOH A 622 27.982 59.233 96.976 1.00 44.26 O +HETATM 3048 O HOH A 623 59.684 101.802 109.008 1.00 32.99 O +HETATM 3049 O HOH A 624 52.199 83.927 95.414 1.00 32.84 O +HETATM 3050 O HOH A 625 43.284 102.478 86.526 1.00 35.84 O +HETATM 3051 O HOH A 626 49.347 83.746 98.790 1.00 28.79 O +HETATM 3052 O HOH A 627 32.915 77.776 78.275 1.00 31.80 O +HETATM 3053 O HOH A 628 27.971 100.883 89.477 1.00 41.79 O +HETATM 3054 O HOH A 629 5.957 93.206 95.889 1.00 30.49 O +HETATM 3055 O HOH A 630 43.518 99.882 85.870 1.00 42.16 O +HETATM 3056 O HOH A 631 46.956 105.859 113.344 1.00 30.05 O +HETATM 3057 O HOH A 632 40.917 96.768 90.218 1.00 40.50 O +HETATM 3058 O HOH A 633 28.757 85.204 86.991 1.00 31.19 O +HETATM 3059 O HOH A 634 31.908 88.606 101.022 1.00 40.60 O +HETATM 3060 O HOH A 635 31.310 92.128 110.816 1.00 26.27 O +HETATM 3061 O HOH A 636 29.579 70.098 96.304 1.00 34.77 O +HETATM 3062 O HOH A 637 44.106 56.195 100.640 1.00 35.24 O +HETATM 3063 O HOH A 638 45.562 98.562 91.821 1.00 35.66 O +HETATM 3064 O HOH A 639 27.787 65.219 94.467 1.00 37.21 O +HETATM 3065 O HOH A 640 37.970 100.549 115.302 1.00 37.44 O +HETATM 3066 O HOH A 641 60.737 104.531 108.844 1.00 35.61 O +HETATM 3067 O HOH A 642 20.531 105.328 86.123 1.00 34.45 O +HETATM 3068 O HOH A 643 40.672 105.740 98.457 1.00 39.03 O +HETATM 3069 O HOH A 644 35.627 83.079 91.035 1.00 28.70 O +HETATM 3070 O HOH A 645 18.910 84.104 83.329 1.00 25.63 O +HETATM 3071 O HOH A 646 44.759 82.068 102.063 1.00 34.34 O +HETATM 3072 O HOH A 647 27.597 72.577 94.800 1.00 39.33 O +HETATM 3073 O HOH A 648 26.703 85.617 84.301 1.00 32.20 O +HETATM 3074 O HOH A 649 40.354 72.019 69.878 1.00 39.34 O +HETATM 3075 O HOH A 650 37.609 90.054 115.498 1.00 32.01 O +HETATM 3076 O HOH A 651 13.483 106.128 107.326 1.00 38.46 O +HETATM 3077 O HOH A 652 46.347 63.449 82.068 1.00 31.70 O +HETATM 3078 O HOH A 653 51.809 83.746 99.898 1.00 32.76 O +HETATM 3079 O HOH A 654 32.772 74.430 102.167 1.00 42.73 O +HETATM 3080 O HOH A 655 52.205 94.140 93.307 1.00 35.82 O +HETATM 3081 O HOH A 656 55.937 89.140 110.267 1.00 39.80 O +HETATM 3082 O HOH A 657 14.419 88.003 84.051 1.00 38.21 O +HETATM 3083 O HOH A 658 50.985 88.151 91.542 1.00 33.26 O +HETATM 3084 O HOH A 659 40.026 67.356 71.955 1.00 37.15 O +HETATM 3085 O HOH A 660 51.537 95.946 117.644 1.00 35.36 O +HETATM 3086 O HOH A 661 8.729 83.215 107.542 1.00 36.45 O +HETATM 3087 O HOH A 662 30.837 98.722 87.942 1.00 30.47 O +HETATM 3088 O HOH A 663 28.116 88.725 85.230 1.00 36.11 O +HETATM 3089 O HOH A 664 52.282 59.745 100.195 1.00 38.83 O +HETATM 3090 O HOH A 665 30.896 86.488 102.267 1.00 35.52 O +HETATM 3091 O HOH A 666 53.532 110.879 102.691 1.00 31.59 O +HETATM 3092 O HOH A 667 56.533 103.238 115.067 1.00 42.00 O +HETATM 3093 O HOH A 668 30.478 86.982 88.590 1.00 35.90 O +HETATM 3094 O HOH A 669 16.219 108.778 95.909 1.00 38.88 O +HETATM 3095 O HOH A 670 24.949 63.558 96.134 1.00 39.35 O +HETATM 3096 O HOH A 671 22.157 100.306 79.854 1.00 42.48 O +HETATM 3097 O HOH A 672 50.783 105.974 116.477 1.00 34.81 O +HETATM 3098 O HOH A 673 49.863 72.993 97.727 1.00 31.10 O +HETATM 3099 O HOH A 674 29.128 80.437 86.568 1.00 33.58 O +HETATM 3100 O HOH A 675 31.790 91.945 114.681 1.00 41.63 O +HETATM 3101 O HOH A 676 45.648 71.361 78.921 1.00 36.85 O +HETATM 3102 O HOH A 677 24.113 107.916 109.967 1.00 32.07 O +HETATM 3103 O HOH A 678 46.965 64.336 86.269 1.00 34.40 O +HETATM 3104 O HOH A 679 53.393 104.935 115.743 1.00 38.63 O +HETATM 3105 O HOH A 680 17.480 108.281 98.092 1.00 34.04 O +HETATM 3106 O HOH A 681 60.943 102.467 99.444 1.00 32.96 O +HETATM 3107 O HOH A 682 31.505 95.306 109.811 1.00 35.06 O +HETATM 3108 O HOH A 683 29.277 72.904 96.624 1.00 40.80 O +HETATM 3109 O HOH A 684 37.981 95.708 115.557 1.00 37.30 O +HETATM 3110 O HOH A 685 13.663 106.350 89.600 1.00 41.38 O +HETATM 3111 O HOH A 686 25.808 73.233 93.118 1.00 37.50 O +HETATM 3112 O HOH A 687 28.217 92.015 87.307 1.00 30.37 O +HETATM 3113 O HOH A 688 10.128 83.590 85.053 1.00 31.13 O +HETATM 3114 O HOH A 689 60.580 106.021 106.540 1.00 41.27 O +HETATM 3115 O HOH A 690 31.855 83.199 87.990 1.00 34.71 O +HETATM 3116 O HOH A 691 34.871 84.995 101.841 1.00 42.54 O +HETATM 3117 O HOH A 692 15.102 99.142 83.046 1.00 41.00 O +HETATM 3118 O HOH A 693 20.961 78.629 105.291 1.00 38.74 O +HETATM 3119 O HOH A 694 27.909 97.538 111.818 1.00 41.29 O +HETATM 3120 O HOH A 695 44.985 97.207 119.077 1.00 35.70 O +HETATM 3121 O HOH A 696 41.405 71.630 72.276 1.00 37.19 O +HETATM 3122 O HOH A 697 29.253 58.263 93.106 1.00 42.21 O +HETATM 3123 O HOH A 698 25.974 71.576 88.636 1.00 35.57 O +HETATM 3124 O HOH A 699 47.712 64.541 83.829 1.00 38.22 O +HETATM 3125 O HOH A 700 43.391 73.650 72.445 1.00 44.05 O +HETATM 3126 O HOH A 701 35.073 77.516 65.119 1.00 38.44 O +HETATM 3127 O HOH A 702 40.854 107.376 108.508 1.00 40.10 O +HETATM 3128 O HOH A 703 47.940 82.323 100.495 1.00 35.17 O +HETATM 3129 O HOH A 704 40.527 103.991 113.943 1.00 36.20 O +HETATM 3130 O HOH A 705 50.020 70.771 85.717 1.00 42.76 O +HETATM 3131 O HOH A 706 40.281 108.133 102.142 1.00 42.68 O +HETATM 3132 O HOH A 707 53.898 88.654 111.866 1.00 36.54 O +HETATM 3133 O HOH A 708 20.551 107.931 94.991 1.00 39.90 O +HETATM 3134 O HOH A 709 19.437 91.496 112.811 1.00 39.29 O +HETATM 3135 O HOH A 710 14.357 104.153 83.659 1.00 37.00 O +HETATM 3136 O HOH A 711 50.841 113.396 96.613 1.00 43.98 O +HETATM 3137 O HOH A 712 26.941 58.415 94.741 1.00 40.54 O +HETATM 3138 O HOH A 713 8.172 94.516 89.727 1.00 39.10 O +HETATM 3139 O HOH A 714 11.878 110.329 101.478 1.00 38.99 O +HETATM 3140 O HOH A 715 38.226 60.183 88.189 1.00 43.57 O +HETATM 3141 O HOH A 716 53.763 107.619 115.855 1.00 42.96 O +HETATM 3142 O HOH A 717 54.375 66.562 100.245 1.00 40.87 O +HETATM 3143 O HOH A 718 17.713 108.057 93.127 1.00 38.33 O +HETATM 3144 O HOH A 719 31.195 72.549 83.056 1.00 22.08 O +HETATM 3145 O HOH A 720 28.205 74.142 85.730 1.00 22.91 O +HETATM 3146 O HOH A 721 51.206 81.164 82.754 1.00 36.60 O +HETATM 3147 O HOH A 722 43.454 97.019 91.623 1.00 41.25 O +HETATM 3148 O HOH A 723 58.067 88.955 103.474 1.00 39.66 O +HETATM 3149 O HOH A 724 47.621 111.970 107.172 1.00 41.55 O +HETATM 3150 O HOH A 725 56.046 65.118 93.070 1.00 43.18 O +HETATM 3151 O HOH A 726 32.783 64.138 101.543 1.00 31.17 O +HETATM 3152 O HOH A 727 31.427 106.255 104.097 1.00 31.04 O +HETATM 3153 O HOH A 728 34.100 81.763 101.258 1.00 39.01 O +HETATM 3154 O HOH A 729 63.543 102.235 100.680 1.00 40.67 O +HETATM 3155 O HOH A 730 52.039 72.238 96.910 1.00 40.03 O +HETATM 3156 O HOH A 731 30.751 99.244 110.851 1.00 38.39 O +HETATM 3157 O HOH A 732 42.377 59.580 80.339 1.00 43.96 O +HETATM 3158 O HOH A 733 49.109 90.446 93.489 1.00 36.28 O +HETATM 3159 O HOH A 734 40.260 61.509 86.545 1.00 39.14 O +HETATM 3160 O HOH A 735 30.668 92.804 98.965 1.00 20.56 O +HETATM 3161 O HOH A 736 31.882 92.673 101.734 1.00 17.73 O +HETATM 3162 O HOH A 737 33.935 87.287 97.829 1.00 27.25 O +HETATM 3163 O HOH A 738 33.675 90.246 98.018 1.00 29.97 O +HETATM 3164 O HOH A 739 34.423 87.086 100.274 1.00 41.31 O +HETATM 3165 O HOH A 740 33.900 92.541 88.741 1.00 47.48 O +HETATM 3166 O HOH A 741 44.347 88.733 100.642 1.00 25.80 O +HETATM 3167 O HOH A 742 33.562 67.175 71.633 1.00 42.52 O +HETATM 3168 O HOH A 743 17.641 90.042 111.371 1.00 34.33 O +HETATM 3169 O HOH A 744 45.239 88.863 98.272 1.00 26.82 O +HETATM 3170 O HOH A 745 45.353 91.443 97.653 1.00 29.40 O +HETATM 3171 O HOH A 746 47.142 94.392 120.606 1.00 40.31 O +HETATM 3172 O HOH A 747 50.475 73.414 100.247 1.00 38.98 O +HETATM 3173 O HOH A 748 6.849 101.946 96.418 1.00 40.63 O +HETATM 3174 O HOH A 749 59.983 104.204 97.931 1.00 39.56 O +HETATM 3175 O HOH A 750 26.774 60.737 98.679 1.00 43.82 O +HETATM 3176 O HOH A 751 32.921 85.295 92.036 1.00 29.81 O +HETATM 3177 O HOH A 752 44.307 95.051 120.476 1.00 48.94 O +HETATM 3178 O HOH A 753 40.641 102.081 87.442 1.00 31.82 O +HETATM 3179 O HOH A 754 26.589 65.166 97.748 1.00 41.24 O +HETATM 3180 O HOH A 755 43.537 74.574 75.021 1.00 39.83 O +HETATM 3181 O HOH A 756 31.652 86.982 85.233 1.00 44.88 O +HETATM 3182 O HOH A 757 48.852 82.794 86.479 1.00 41.39 O +HETATM 3183 O HOH A 758 41.209 106.170 84.955 1.00 46.97 O +HETATM 3184 O HOH A 759 58.500 100.876 114.117 1.00 39.51 O +HETATM 3185 O HOH A 760 39.171 104.951 86.336 1.00 44.28 O +HETATM 3186 O HOH A 761 19.615 106.994 104.745 1.00 38.14 O +HETATM 3187 O HOH A 762 49.560 91.684 118.861 1.00 30.39 O +HETATM 3188 O HOH A 763 44.873 104.221 117.399 1.00 34.45 O +HETATM 3189 O HOH A 764 33.088 100.877 107.863 1.00 29.28 O +HETATM 3190 O HOH A 765 56.278 109.653 104.660 1.00 42.76 O +HETATM 3191 O HOH A 766 51.182 93.975 119.347 1.00 43.55 O +HETATM 3192 O HOH A 767 30.484 87.454 108.080 1.00 34.62 O +HETATM 3193 O HOH A 768 43.907 87.796 118.573 1.00 35.33 O +HETATM 3194 O HOH A 769 39.631 99.657 87.574 1.00 32.32 O +HETATM 3195 O HOH A 770 36.121 96.031 91.410 1.00 33.30 O +HETATM 3196 O HOH A 771 28.328 101.837 86.779 1.00 47.03 O +HETATM 3197 O HOH A 772 54.876 86.233 103.846 1.00 41.15 O +HETATM 3198 O HOH A 773 59.347 104.717 101.626 1.00 32.08 O +HETATM 3199 O HOH A 774 58.778 106.180 103.719 1.00 38.29 O +HETATM 3200 O HOH A 775 26.850 79.481 86.259 1.00 41.02 O +HETATM 3201 O HOH A 776 34.886 54.163 98.167 1.00 39.07 O +HETATM 3202 O HOH A 777 49.771 84.136 107.280 1.00 31.40 O +HETATM 3203 O HOH A 778 13.340 104.309 87.661 1.00 41.49 O +HETATM 3204 O HOH A 779 44.039 68.580 74.664 1.00 41.94 O +HETATM 3205 O HOH A 780 55.064 92.499 113.756 1.00 34.14 O +HETATM 3206 O HOH A 781 26.869 92.934 110.984 1.00 33.05 O +HETATM 3207 O HOH A 782 45.503 56.875 92.146 1.00 48.06 O +HETATM 3208 O HOH A 783 53.521 83.896 97.630 1.00 43.11 O +HETATM 3209 O HOH A 784 31.868 70.152 83.028 1.00 34.42 O +HETATM 3210 O HOH A 785 27.659 69.963 89.982 1.00 37.38 O +HETATM 3211 O HOH A 786 36.175 94.094 92.997 1.00 34.62 O +HETATM 3212 O HOH A 787 35.055 105.993 109.154 1.00 37.49 O +HETATM 3213 O HOH A 788 33.248 92.048 91.712 1.00 43.62 O +HETATM 3214 O HOH A 789 27.146 75.401 92.497 1.00 29.36 O +HETATM 3215 O HOH A 790 40.223 59.609 78.972 1.00 38.86 O +HETATM 3216 O HOH A 791 48.762 74.697 102.709 1.00 43.66 O +HETATM 3217 O HOH A 792 34.424 89.202 104.437 1.00 29.65 O +HETATM 3218 O HOH A 793 60.962 100.116 97.972 1.00 32.06 O +HETATM 3219 O HOH A 794 11.270 88.893 83.731 1.00 42.49 O +HETATM 3220 O HOH A 795 29.347 86.371 84.614 1.00 46.88 O +HETATM 3221 O HOH A 796 13.441 83.931 83.540 1.00 42.36 O +HETATM 3222 O HOH A 797 40.143 92.923 93.626 1.00 36.86 O +HETATM 3223 O HOH A 798 33.052 79.888 104.669 1.00 41.36 O +HETATM 3224 O HOH A 799 40.187 94.544 116.463 1.00 35.99 O +HETATM 3225 O HOH A 800 20.776 107.273 88.314 1.00 39.86 O +HETATM 3226 O HOH A 801 41.889 76.267 76.295 1.00 41.23 O +HETATM 3227 O HOH A 802 21.311 107.217 90.688 1.00 41.07 O +HETATM 3228 O HOH A 803 8.205 107.094 94.136 1.00 47.65 O +HETATM 3229 O HOH A 804 35.155 78.603 104.435 1.00 44.55 O +HETATM 3230 O HOH A 805 7.512 95.833 92.904 1.00 42.30 O +HETATM 3231 O HOH A 806 37.683 92.323 117.921 1.00 46.12 O +HETATM 3232 O HOH A 807 32.865 62.144 85.919 1.00 23.55 O +HETATM 3233 O HOH A 808 30.875 73.004 100.945 1.00 34.87 O +HETATM 3234 O HOH A 809 29.228 73.215 102.974 1.00 37.07 O +HETATM 3235 O HOH A 810 27.151 58.314 82.183 1.00 37.21 O +HETATM 3236 O HOH A 811 29.233 78.779 105.528 1.00 39.50 O +HETATM 3237 O HOH A 812 26.857 58.380 86.487 1.00 37.88 O +HETATM 3238 O HOH A 813 20.772 63.070 95.517 1.00 40.99 O +HETATM 3239 O HOH A 814 48.858 73.621 104.902 1.00 50.12 O +HETATM 3240 O HOH A 815 28.834 98.043 114.590 1.00 44.74 O +HETATM 3241 O HOH A 816 36.935 79.306 106.022 1.00 48.87 O +HETATM 3242 O HOH A 817 25.231 99.370 80.983 1.00 36.56 O +HETATM 3243 O HOH A 818 35.566 90.231 93.997 1.00 42.93 O +HETATM 3244 O HOH A 819 31.692 82.549 81.301 1.00 31.76 O +HETATM 3245 O HOH A 820 57.066 108.740 109.350 1.00 35.46 O +HETATM 3246 O HOH A 821 30.442 91.626 85.892 1.00 43.17 O +HETATM 3247 O HOH A 822 32.683 73.761 107.292 1.00 49.14 O +HETATM 3248 O HOH A 823 52.326 107.052 87.334 1.00 44.14 O +HETATM 3249 O HOH A 824 63.209 91.606 104.774 1.00 39.77 O +HETATM 3250 O HOH A 825 30.163 78.688 82.045 1.00 40.19 O +HETATM 3251 O HOH A 826 38.405 107.674 107.936 1.00 40.44 O +HETATM 3252 O HOH A 827 39.910 111.544 108.260 1.00 53.26 O +HETATM 3253 O HOH A 828 43.053 89.396 97.139 1.00 31.50 O +HETATM 3254 O HOH A 829 6.398 100.499 104.423 1.00 30.46 O +HETATM 3255 O HOH A 830 41.490 82.678 102.679 1.00 31.53 O +HETATM 3256 O HOH A 831 39.102 98.443 116.546 1.00 37.32 O +HETATM 3257 O HOH A 832 4.200 101.129 110.167 1.00 40.25 O +HETATM 3258 O HOH A 833 41.900 109.818 100.316 1.00 48.68 O +HETATM 3259 O HOH A 834 57.061 91.234 111.242 1.00 26.68 O +HETATM 3260 O HOH A 835 54.075 109.162 108.858 1.00 33.98 O +HETATM 3261 O HOH A 836 7.826 86.298 88.013 1.00 33.99 O +HETATM 3262 O HOH A 837 58.299 93.606 96.712 1.00 42.76 O +HETATM 3263 O HOH A 838 64.892 90.036 106.019 1.00 43.93 O +HETATM 3264 O HOH A 839 41.425 52.487 101.980 1.00 43.04 O +HETATM 3265 O HOH A 840 45.819 60.126 109.468 1.00 39.44 O +HETATM 3266 O HOH A 841 36.221 86.672 89.723 1.00 46.47 O +HETATM 3267 O HOH A 842 4.893 86.747 102.504 1.00 43.58 O +HETATM 3268 O HOH A 843 54.061 110.309 106.734 1.00 48.81 O +HETATM 3269 O HOH A 844 10.174 99.654 89.525 1.00 43.94 O +HETATM 3270 O HOH A 845 43.767 69.274 70.339 1.00 54.74 O +HETATM 3271 O HOH A 846 27.862 102.029 92.183 1.00 38.03 O +HETATM 3272 O HOH A 847 56.922 87.373 108.115 1.00 44.13 O +HETATM 3273 O HOH A 848 24.785 81.946 110.812 1.00 46.30 O +HETATM 3274 O HOH A 849 29.806 82.915 86.733 1.00 38.46 O +HETATM 3275 O HOH A 850 46.181 109.335 111.930 1.00 37.66 O +HETATM 3276 O HOH A 851 28.925 83.508 82.073 1.00 40.99 O +HETATM 3277 O HOH A 852 30.634 89.741 87.761 1.00 45.40 O +HETATM 3278 O HOH A 853 32.533 84.409 84.846 1.00 41.59 O +HETATM 3279 O HOH A 854 60.515 99.240 112.562 1.00 46.48 O +HETATM 3280 O HOH A 855 39.669 58.968 86.183 1.00 47.05 O +HETATM 3281 O HOH A 856 39.002 85.963 94.951 1.00 33.12 O +HETATM 3282 O HOH A 857 7.799 81.604 87.132 1.00 39.33 O +HETATM 3283 O HOH A 858 6.196 91.727 108.933 1.00 37.63 O +HETATM 3284 O HOH A 859 53.232 71.942 99.254 1.00 49.37 O +HETATM 3285 O HOH A 860 41.164 71.942 64.378 1.00 43.82 O +HETATM 3286 O HOH A 861 5.557 82.175 91.250 1.00 40.36 O +HETATM 3287 O HOH A 862 51.414 79.448 87.478 1.00 35.79 O +HETATM 3288 O HOH A 863 51.742 101.265 119.096 1.00 39.59 O +HETATM 3289 O HOH A 864 43.655 110.420 94.543 1.00 49.28 O +HETATM 3290 O HOH A 865 41.797 88.350 94.006 1.00 29.99 O +HETATM 3291 O HOH A 866 8.412 97.109 89.215 1.00 50.04 O +HETATM 3292 O HOH A 867 60.540 89.756 98.620 1.00 47.98 O +HETATM 3293 O HOH A 868 62.384 89.957 100.654 1.00 44.98 O +HETATM 3294 O HOH A 869 25.610 104.013 111.434 1.00 39.78 O +HETATM 3295 O HOH A 870 47.220 67.891 84.506 1.00 47.59 O +HETATM 3296 O HOH A 871 24.348 61.676 97.987 1.00 47.23 O +HETATM 3297 O HOH A 872 15.017 85.664 82.291 1.00 44.63 O +HETATM 3298 O HOH A 873 6.213 88.785 95.672 1.00 38.52 O +HETATM 3299 O HOH A 874 38.742 88.432 93.073 1.00 41.79 O +HETATM 3300 O HOH A 875 29.471 97.148 109.649 1.00 40.62 O +HETATM 3301 O HOH A 876 43.412 110.951 107.892 1.00 37.79 O +HETATM 3302 O HOH A 877 17.856 91.482 85.200 1.00 34.48 O +HETATM 3303 O HOH A 878 41.811 110.074 110.032 1.00 49.36 O +HETATM 3304 O HOH A 879 31.164 93.070 87.938 1.00 42.92 O +HETATM 3305 O HOH A 880 35.257 102.897 96.503 1.00 42.01 O +HETATM 3306 O HOH A 881 21.924 83.032 112.631 1.00 44.51 O +HETATM 3307 O HOH A 882 55.787 91.017 98.984 1.00 49.63 O +HETATM 3308 O HOH A 883 53.114 84.502 110.794 1.00 50.70 O +HETATM 3309 O HOH A 884 29.056 99.908 93.252 1.00 31.06 O +HETATM 3310 O HOH A 885 22.658 79.601 108.444 1.00 45.80 O +HETATM 3311 O HOH A 886 32.755 59.526 86.600 1.00 38.01 O +HETATM 3312 O HOH A 887 46.544 75.729 76.179 1.00 51.12 O +HETATM 3313 O HOH A 888 43.497 103.172 120.323 1.00 42.26 O +HETATM 3314 O HOH A 889 13.708 86.035 79.759 1.00 48.21 O +HETATM 3315 O HOH A 890 10.567 107.998 95.911 1.00 48.73 O +HETATM 3316 O HOH A 891 36.493 58.718 91.879 1.00 48.07 O +HETATM 3317 O HOH A 892 47.733 75.248 73.563 1.00 45.79 O +HETATM 3318 O HOH A 893 55.433 87.182 113.993 1.00 50.67 O +HETATM 3319 O HOH A 894 35.886 59.716 89.438 1.00 44.97 O +HETATM 3320 O HOH A 895 23.956 108.399 91.429 1.00 51.46 O +HETATM 3321 O HOH A 896 47.028 77.139 78.507 1.00 32.80 O +HETATM 3322 O HOH A 897 30.511 91.209 90.154 1.00 43.39 O +HETATM 3323 O HOH A 898 34.114 89.576 101.780 1.00 38.06 O +HETATM 3324 O HOH A 899 33.886 86.930 87.103 1.00 46.94 O +HETATM 3325 O HOH A 900 8.170 102.932 102.718 1.00 30.33 O +HETATM 3326 O HOH A 901 27.580 80.909 109.125 1.00 39.59 O +HETATM 3327 O HOH A 902 51.833 86.916 118.614 1.00 41.00 O +HETATM 3328 O HOH A 903 48.202 77.078 71.712 1.00 44.15 O +HETATM 3329 O HOH A 904 55.257 102.803 117.916 1.00 48.21 O +HETATM 3330 O HOH A 905 10.040 96.398 91.333 1.00 30.62 O +HETATM 3331 O HOH A 906 37.308 77.217 63.549 1.00 44.36 O +HETATM 3332 O HOH A 907 29.395 71.616 99.367 1.00 42.91 O +HETATM 3333 O HOH A 908 17.068 58.450 89.912 1.00 50.53 O +HETATM 3334 O HOH A 909 28.650 75.662 102.800 1.00 43.13 O +HETATM 3335 O HOH A 910 15.233 90.042 112.512 1.00 47.48 O +HETATM 3336 O HOH A 911 11.482 98.240 91.323 1.00 38.52 O +HETATM 3337 O HOH A 912 29.559 58.415 89.304 1.00 39.79 O +HETATM 3338 O HOH A 913 7.598 103.742 98.214 1.00 37.66 O +HETATM 3339 O HOH A 914 23.658 66.074 97.020 1.00 50.31 O +HETATM 3340 O HOH A 915 30.766 59.322 95.117 1.00 44.51 O +HETATM 3341 O HOH A 916 52.719 50.026 97.434 1.00 53.00 O +HETATM 3342 O HOH A 917 39.473 94.490 90.872 1.00 45.36 O +HETATM 3343 O HOH A 918 42.910 71.940 62.093 1.00 46.55 O +HETATM 3344 O HOH A 919 19.708 92.587 108.772 1.00 30.75 O +HETATM 3345 O HOH A 920 51.668 83.307 105.977 1.00 44.05 O +HETATM 3346 O HOH A 921 15.568 74.176 106.116 1.00 39.57 O +HETATM 3347 O HOH A 922 5.848 96.459 90.871 1.00 52.22 O +HETATM 3348 O HOH A 923 52.837 86.017 114.528 1.00 46.43 O +HETATM 3349 O HOH A 924 37.537 88.340 96.096 1.00 34.87 O +HETATM 3350 O HOH A 925 53.170 89.149 115.898 1.00 32.21 O +HETATM 3351 O HOH A 926 52.827 89.760 98.070 1.00 29.05 O +HETATM 3352 O HOH A 927 7.477 102.966 109.505 1.00 42.50 O +HETATM 3353 O HOH A 928 11.989 98.867 86.366 1.00 46.47 O +HETATM 3354 O HOH A 929 58.690 107.593 99.181 1.00 42.14 O +HETATM 3355 O HOH A 930 32.611 104.596 106.690 1.00 34.51 O +HETATM 3356 O HOH A 931 27.083 94.384 84.569 1.00 40.64 O +HETATM 3357 O HOH A 932 16.849 89.212 84.847 1.00 44.31 O +HETATM 3358 O HOH A 933 28.131 96.210 85.911 1.00 43.80 O +HETATM 3359 O HOH A 934 31.398 76.713 81.264 1.00 34.37 O +HETATM 3360 O HOH A 935 36.652 58.446 84.191 1.00 39.37 O +HETATM 3361 O HOH A 936 53.163 58.843 93.875 1.00 51.10 O +HETATM 3362 O HOH A 937 35.700 87.357 103.172 1.00 46.20 O +HETATM 3363 O HOH A 938 27.793 98.027 84.206 1.00 45.52 O +HETATM 3364 O HOH A 939 58.277 108.690 106.784 1.00 49.17 O +HETATM 3365 O HOH A 940 24.479 56.668 87.254 1.00 50.52 O +HETATM 3366 O HOH A 941 6.795 86.137 97.959 1.00 45.08 O +HETATM 3367 O HOH A 942 22.442 103.548 113.262 1.00 48.32 O +HETATM 3368 O HOH A 943 49.520 97.608 119.687 1.00 38.98 O +HETATM 3369 O HOH A 944 38.234 63.682 108.056 1.00 43.39 O +HETATM 3370 O HOH A 945 23.660 105.410 111.598 1.00 45.74 O +HETATM 3371 O HOH A 946 39.191 69.848 67.697 1.00 52.09 O +HETATM 3372 O HOH A 947 47.931 97.420 92.281 1.00 43.66 O +HETATM 3373 O HOH A 948 50.156 104.627 85.326 1.00 44.54 O +HETATM 3374 O HOH A 949 57.857 102.424 95.897 1.00 46.39 O +HETATM 3375 O HOH A 950 56.063 65.957 102.433 1.00 54.47 O +HETATM 3376 O HOH A 951 58.033 99.311 116.467 1.00 55.34 O +HETATM 3377 O HOH A 952 36.287 105.973 112.007 1.00 45.80 O +HETATM 3378 O HOH A 953 43.666 72.270 76.305 1.00 40.47 O +HETATM 3379 O HOH A 954 36.587 98.336 90.451 1.00 46.51 O +HETATM 3380 O HOH A 955 38.822 109.716 106.084 1.00 52.41 O +HETATM 3381 O HOH A 956 49.529 102.023 120.505 1.00 42.79 O +HETATM 3382 O HOH A 957 7.981 105.748 96.261 1.00 49.62 O +HETATM 3383 O HOH A 958 12.659 107.964 87.736 1.00 47.22 O +HETATM 3384 O HOH A 959 52.545 81.889 111.027 1.00 49.62 O +HETATM 3385 O HOH A 960 33.013 89.479 116.190 1.00 50.39 O +HETATM 3386 O HOH A 961 33.931 102.489 91.290 1.00 46.53 O +HETATM 3387 O HOH A 962 53.864 82.118 93.650 1.00 43.56 O +HETATM 3388 O HOH A 963 39.644 103.198 122.090 1.00 55.93 O +HETATM 3389 O HOH A 964 26.169 59.775 101.622 1.00 52.30 O +HETATM 3390 O HOH A 965 17.182 77.366 109.184 1.00 51.13 O +HETATM 3391 O HOH A 966 53.271 78.879 85.605 1.00 49.55 O +HETATM 3392 O HOH A 967 21.803 90.048 113.847 1.00 50.48 O +HETATM 3393 O HOH A 968 22.717 89.366 105.380 1.00 30.42 O +HETATM 3394 O HOH A 969 25.289 102.160 91.142 1.00 39.24 O +HETATM 3395 O HOH A 970 31.406 86.952 105.966 1.00 44.58 O +HETATM 3396 O HOH A 971 25.115 103.580 84.325 1.00 54.66 O +HETATM 3397 O HOH A 972 38.863 78.446 57.159 1.00 50.18 O +HETATM 3398 O HOH A 973 41.489 64.466 113.655 1.00 49.11 O +HETATM 3399 O HOH A 974 36.267 92.520 90.451 1.00 50.12 O +HETATM 3400 O HOH A 975 22.821 104.372 84.187 1.00 44.91 O +HETATM 3401 O HOH A 976 29.277 61.645 95.827 1.00 45.66 O +HETATM 3402 O HOH A 977 17.631 57.932 82.648 1.00 50.32 O +HETATM 3403 O HOH A 978 51.930 56.239 94.358 1.00 49.82 O +HETATM 3404 O HOH A 979 37.032 96.195 87.885 1.00 51.98 O +HETATM 3405 O HOH A 980 6.070 80.375 94.914 1.00 49.49 O +HETATM 3406 O HOH A 981 55.273 87.350 97.806 1.00 53.45 O +HETATM 3407 O HOH A 982 3.838 81.857 94.379 1.00 48.15 O +HETATM 3408 O HOH A 983 40.298 59.807 89.551 1.00 49.99 O +HETATM 3409 O HOH A 984 42.773 81.263 104.741 1.00 58.94 O +HETATM 3410 O HOH A 985 28.295 97.168 81.671 1.00 49.54 O +HETATM 3411 O HOH A 986 5.717 87.451 89.055 1.00 44.59 O +HETATM 3412 O HOH A 987 40.249 65.591 110.683 1.00 44.91 O +HETATM 3413 O HOH A 988 34.121 91.700 100.711 1.00 30.44 O +HETATM 3414 O HOH A 989 30.309 106.849 109.117 1.00 46.76 O +HETATM 3415 O HOH A 990 62.407 93.198 109.853 1.00 52.42 O +HETATM 3416 O HOH A 991 40.797 63.784 72.950 1.00 38.27 O +HETATM 3417 O HOH A 992 25.901 106.152 109.160 1.00 38.41 O +HETATM 3418 O HOH A 993 43.701 60.462 86.889 1.00 46.37 O +HETATM 3419 O HOH A 994 31.817 88.759 91.175 1.00 43.43 O +HETATM 3420 O HOH A 995 15.615 86.731 78.149 1.00 44.40 O +HETATM 3421 O HOH A 996 46.927 65.146 80.073 1.00 46.03 O +HETATM 3422 O HOH A 997 35.225 88.508 114.906 1.00 38.62 O +HETATM 3423 O HOH A 998 35.565 100.020 113.979 1.00 47.40 O +HETATM 3424 O HOH A 999 52.403 77.018 90.074 1.00 46.27 O +HETATM 3425 O HOH A1000 27.962 106.066 110.903 1.00 49.32 O +HETATM 3426 O HOH A1001 39.019 87.791 89.571 1.00 44.66 O +HETATM 3427 O HOH A1002 26.738 53.458 98.753 1.00 56.67 O +HETATM 3428 O HOH A1003 53.539 72.929 89.203 1.00 46.97 O +HETATM 3429 O HOH A1004 33.282 108.211 108.431 1.00 54.15 O +HETATM 3430 O HOH A1005 39.690 80.036 55.355 1.00 46.29 O +HETATM 3431 O HOH A1006 15.440 92.837 112.711 1.00 51.27 O +HETATM 3432 O HOH A1007 39.801 90.604 95.229 1.00 41.04 O +HETATM 3433 O HOH A1008 51.668 98.904 118.634 1.00 49.40 O +HETATM 3434 O HOH A1009 13.819 80.922 111.954 1.00 55.86 O +HETATM 3435 O HOH A1010 9.001 85.622 106.407 1.00 53.97 O +HETATM 3436 O HOH A1011 9.352 87.826 106.552 1.00 41.81 O +HETATM 3437 O HOH A1012 10.299 87.074 109.045 1.00 52.39 O +HETATM 3438 O HOH A1013 7.613 80.946 106.603 1.00 42.92 O +HETATM 3439 O HOH A1014 9.666 89.324 108.392 1.00 53.90 O +CONECT 124 2920 +CONECT 129 2920 +CONECT 594 2920 +CONECT 645 2920 +CONECT 1404 2924 +CONECT 1544 2922 +CONECT 1546 2922 +CONECT 1636 2921 +CONECT 1637 2921 +CONECT 1719 2923 +CONECT 1736 2923 +CONECT 1779 2923 +CONECT 1780 2923 +CONECT 1883 2921 +CONECT 2046 2925 +CONECT 2271 2921 +CONECT 2273 2921 +CONECT 2595 2925 +CONECT 2596 2868 +CONECT 2609 2925 +CONECT 2868 2596 2869 2879 +CONECT 2869 2868 2870 2876 +CONECT 2870 2869 2871 2877 +CONECT 2871 2870 2872 2878 +CONECT 2872 2871 2873 2879 +CONECT 2873 2872 2880 +CONECT 2874 2875 2876 2881 +CONECT 2875 2874 +CONECT 2876 2869 2874 +CONECT 2877 2870 +CONECT 2878 2871 2882 +CONECT 2879 2868 2872 +CONECT 2880 2873 +CONECT 2881 2874 +CONECT 2882 2878 2883 2893 +CONECT 2883 2882 2884 2890 +CONECT 2884 2883 2885 2891 +CONECT 2885 2884 2886 2892 +CONECT 2886 2885 2887 2893 +CONECT 2887 2886 2894 +CONECT 2888 2889 2890 2895 +CONECT 2889 2888 +CONECT 2890 2883 2888 +CONECT 2891 2884 +CONECT 2892 2885 +CONECT 2893 2882 2886 +CONECT 2894 2887 +CONECT 2895 2888 +CONECT 2896 2897 +CONECT 2897 2896 2898 2899 2900 +CONECT 2898 2897 +CONECT 2899 2897 +CONECT 2900 2897 2901 +CONECT 2901 2900 2902 2903 +CONECT 2902 2901 +CONECT 2903 2901 +CONECT 2904 2905 +CONECT 2905 2904 2906 2907 2908 +CONECT 2906 2905 +CONECT 2907 2905 +CONECT 2908 2905 2909 +CONECT 2909 2908 2910 2911 +CONECT 2910 2909 +CONECT 2911 2909 +CONECT 2912 2913 +CONECT 2913 2912 2914 2915 2916 +CONECT 2914 2913 +CONECT 2915 2913 +CONECT 2916 2913 2917 +CONECT 2917 2916 2918 2919 +CONECT 2918 2917 +CONECT 2919 2917 +CONECT 2920 124 129 594 645 +CONECT 2920 2926 +CONECT 2921 1636 1637 1883 2271 +CONECT 2921 2273 3156 3300 +CONECT 2922 1544 1546 2945 3006 +CONECT 2922 3046 3301 +CONECT 2923 1719 1736 1779 1780 +CONECT 2923 3085 3368 3433 +CONECT 2924 1404 3281 3290 3299 +CONECT 2924 3349 3432 +CONECT 2925 2046 2595 2609 3434 +CONECT 2926 2920 +CONECT 2945 2922 +CONECT 3006 2922 +CONECT 3046 2922 +CONECT 3085 2923 +CONECT 3156 2921 +CONECT 3281 2924 +CONECT 3290 2924 +CONECT 3299 2924 +CONECT 3300 2921 +CONECT 3301 2922 +CONECT 3349 2924 +CONECT 3368 2923 +CONECT 3432 2924 +CONECT 3433 2923 +CONECT 3434 2925 +MASTER 378 0 11 14 15 0 0 6 3413 1 99 29 +END diff --git a/tests/protein_ligand/test_data/4hhb.pdb b/tests/protein_ligand/test_data/4hhb.pdb new file mode 100644 index 000000000..0803c47fb --- /dev/null +++ b/tests/protein_ligand/test_data/4hhb.pdb @@ -0,0 +1,5848 @@ +HEADER OXYGEN TRANSPORT 07-MAR-84 4HHB +TITLE THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS +TITLE 2 RESOLUTION +CAVEAT 4HHB THR A 137 HAS WRONG CHIRALITY AT ATOM CB THR B 12 HAS WRONG +CAVEAT 2 4HHB CHIRALITY AT ATOM CB THR B 50 HAS WRONG CHIRALITY AT ATOM +CAVEAT 3 4HHB CB ASN C 78 HAS WRONG CHIRALITY AT ATOM CA THR C 118 HAS +CAVEAT 4 4HHB WRONG CHIRALITY AT ATOM CB HIS D 2 HAS WRONG CHIRALITY AT +CAVEAT 5 4HHB ATOM CA SER D 72 HAS WRONG CHIRALITY AT ATOM CA ASP D 73 +CAVEAT 6 4HHB HAS WRONG CHIRALITY AT ATOM CA LEU D 78 HAS WRONG CHIRALITY +CAVEAT 7 4HHB AT ATOM CA LYS D 144 HAS WRONG CHIRALITY AT ATOM CA +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; +COMPND 3 CHAIN: A, C; +COMPND 4 SYNONYM: ALPHA-GLOBIN,HEMOGLOBIN ALPHA CHAIN; +COMPND 5 ENGINEERED: YES; +COMPND 6 MOL_ID: 2; +COMPND 7 MOLECULE: HEMOGLOBIN SUBUNIT BETA; +COMPND 8 CHAIN: B, D; +COMPND 9 SYNONYM: BETA-GLOBIN,HEMOGLOBIN BETA CHAIN; +COMPND 10 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: HBA1, HBA2; +SOURCE 6 MOL_ID: 2; +SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 8 ORGANISM_COMMON: HUMAN; +SOURCE 9 ORGANISM_TAXID: 9606; +SOURCE 10 GENE: HBB +KEYWDS OXYGEN TRANSPORT +EXPDTA X-RAY DIFFRACTION +AUTHOR G.FERMI,M.F.PERUTZ +REVDAT 6 17-JUN-20 4HHB 1 CAVEAT COMPND SOURCE DBREF +REVDAT 6 2 1 ATOM +REVDAT 5 13-JUL-11 4HHB 1 VERSN +REVDAT 4 24-FEB-09 4HHB 1 VERSN +REVDAT 3 01-APR-03 4HHB 1 JRNL +REVDAT 2 15-OCT-89 4HHB 3 MTRIX +REVDAT 1 17-JUL-84 4HHB 0 +SPRSDE 17-JUL-84 4HHB 1HHB +JRNL AUTH G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME +JRNL TITL THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A +JRNL TITL 2 RESOLUTION +JRNL REF J.MOL.BIOL. V. 175 159 1984 +JRNL REFN ISSN 0022-2836 +JRNL PMID 6726807 +JRNL DOI 10.1016/0022-2836(84)90472-8 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN +REMARK 1 TITL STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN +REMARK 1 REF NATURE V. 295 535 1982 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH G.FERMI,M.F.PERUTZ +REMARK 1 REF HAEMOGLOBIN AND MYOGLOBIN. V. 2 1981 +REMARK 1 REF 2 ATLAS OF MOLECULAR +REMARK 1 REF 3 STRUCTURES IN BIOLOGY +REMARK 1 PUBL OXFORD UNIVERSITY PRESS +REMARK 1 REFN +REMARK 1 REFERENCE 3 +REMARK 1 AUTH M.F.PERUTZ +REMARK 1 TITL REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF +REMARK 1 TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON +REMARK 1 REF ANNU.REV.BIOCHEM. V. 48 327 1979 +REMARK 1 REFN ISSN 0066-4154 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH L.F.TENEYCK,A.ARNONE +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN +REMARK 1 TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS +REMARK 1 REF J.MOL.BIOL. V. 100 3 1976 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 5 +REMARK 1 AUTH G.FERMI +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN +REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF +REMARK 1 TITL 3 THE ATOMIC MODEL +REMARK 1 REF J.MOL.BIOL. V. 97 237 1975 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 6 +REMARK 1 AUTH H.MUIRHEAD,J.GREER +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN +REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION +REMARK 1 REF NATURE V. 228 516 1970 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 7 +REMARK 1 EDIT M.O.DAYHOFF +REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 56 1972 +REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) +REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. +REMARK 1 REFN +REMARK 1 REFERENCE 8 +REMARK 1 EDIT M.O.DAYHOFF +REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 64 1972 +REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) +REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. +REMARK 1 REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.74 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.135 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 4384 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 174 +REMARK 3 SOLVENT ATOMS : 221 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : NULL +REMARK 3 BOND ANGLES (DEGREES) : NULL +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM +REMARK 3 SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE +REMARK 3 (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE +REMARK 3 PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS. +REMARK 3 THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW +REMARK 3 WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM +REMARK 3 THE *A* AND *B* CHAINS RESPECTIVELY. +REMARK 4 +REMARK 4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000179340. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 45.48 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 285 +REMARK 285 THE ENTRY COORDINATES +REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME. +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.949456 -0.312801 -0.025883 -6.64347 +REMARK 290 SMTRY2 2 -0.312858 0.936202 0.160212 41.12228 +REMARK 290 SMTRY3 2 -0.025884 0.160188 -0.986745 3.40218 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 C VAL B 1 CA HIS B 2 1.63 +REMARK 500 C PHE D 45 CA GLY D 46 1.78 +REMARK 500 CB THR D 4 OE2 GLU D 6 2.00 +REMARK 500 NZ LYS D 66 O1A HEM D 148 2.06 +REMARK 500 OD2 ASP D 73 O HOH D 174 2.10 +REMARK 500 OG1 THR D 4 OE2 GLU D 6 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OD2 ASP C 85 O HOH B 204 2657 1.41 +REMARK 500 O HOH B 204 O HOH C 161 2647 2.02 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 VAL A 1 N VAL A 1 CA -0.295 +REMARK 500 VAL A 1 CA VAL A 1 CB 0.299 +REMARK 500 VAL A 1 CB VAL A 1 CG1 -0.206 +REMARK 500 VAL A 1 CB VAL A 1 CG2 -0.283 +REMARK 500 LEU A 2 CA LEU A 2 C 0.249 +REMARK 500 LEU A 2 C SER A 3 N -0.320 +REMARK 500 SER A 3 N SER A 3 CA 0.167 +REMARK 500 SER A 3 CB SER A 3 OG -0.132 +REMARK 500 SER A 3 C PRO A 4 N 0.282 +REMARK 500 PRO A 4 N PRO A 4 CA -0.149 +REMARK 500 PRO A 4 CA PRO A 4 CB 0.202 +REMARK 500 PRO A 4 C ALA A 5 N 0.257 +REMARK 500 ALA A 5 N ALA A 5 CA -0.130 +REMARK 500 ALA A 5 CA ALA A 5 CB 0.247 +REMARK 500 LYS A 7 N LYS A 7 CA 0.157 +REMARK 500 LYS A 7 C THR A 8 N 0.258 +REMARK 500 THR A 8 CA THR A 8 CB 0.178 +REMARK 500 THR A 8 CB THR A 8 OG1 -0.173 +REMARK 500 THR A 8 CB THR A 8 CG2 -0.245 +REMARK 500 THR A 8 CA THR A 8 C -0.174 +REMARK 500 THR A 8 C ASN A 9 N 0.179 +REMARK 500 VAL A 10 CB VAL A 10 CG2 -0.179 +REMARK 500 VAL A 10 CA VAL A 10 C 0.160 +REMARK 500 LYS A 11 N LYS A 11 CA 0.131 +REMARK 500 LYS A 11 CA LYS A 11 CB -0.137 +REMARK 500 LYS A 11 CB LYS A 11 CG -0.196 +REMARK 500 LYS A 11 CG LYS A 11 CD -0.206 +REMARK 500 LYS A 11 CD LYS A 11 CE 0.454 +REMARK 500 ALA A 12 N ALA A 12 CA -0.133 +REMARK 500 ALA A 12 C ALA A 12 O 0.225 +REMARK 500 ALA A 13 CA ALA A 13 C 0.201 +REMARK 500 TRP A 14 CA TRP A 14 CB 0.291 +REMARK 500 TRP A 14 CB TRP A 14 CG -0.274 +REMARK 500 TRP A 14 CG TRP A 14 CD1 0.306 +REMARK 500 TRP A 14 CD1 TRP A 14 NE1 0.158 +REMARK 500 TRP A 14 NE1 TRP A 14 CE2 -0.234 +REMARK 500 TRP A 14 CE2 TRP A 14 CZ2 -0.243 +REMARK 500 TRP A 14 CE2 TRP A 14 CD2 0.221 +REMARK 500 TRP A 14 CH2 TRP A 14 CZ2 -0.217 +REMARK 500 GLY A 15 CA GLY A 15 C 0.182 +REMARK 500 GLY A 15 C GLY A 15 O 0.437 +REMARK 500 GLY A 15 C LYS A 16 N -0.418 +REMARK 500 LYS A 16 CB LYS A 16 CG 0.164 +REMARK 500 LYS A 16 CG LYS A 16 CD 0.488 +REMARK 500 LYS A 16 CD LYS A 16 CE 0.410 +REMARK 500 LYS A 16 C LYS A 16 O -0.149 +REMARK 500 LYS A 16 C VAL A 17 N 0.180 +REMARK 500 VAL A 17 N VAL A 17 CA -0.191 +REMARK 500 VAL A 17 CA VAL A 17 CB -0.168 +REMARK 500 VAL A 17 CA VAL A 17 C 0.432 +REMARK 500 +REMARK 500 THIS ENTRY HAS 1271 BOND DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 VAL A 1 CG1 - CB - CG2 ANGL. DEV. = 27.5 DEGREES +REMARK 500 VAL A 1 CA - CB - CG2 ANGL. DEV. = -25.9 DEGREES +REMARK 500 VAL A 1 CA - C - N ANGL. DEV. = -13.3 DEGREES +REMARK 500 VAL A 1 O - C - N ANGL. DEV. = 12.7 DEGREES +REMARK 500 LEU A 2 C - N - CA ANGL. DEV. = -20.6 DEGREES +REMARK 500 LEU A 2 N - CA - CB ANGL. DEV. = -17.9 DEGREES +REMARK 500 LEU A 2 CB - CG - CD1 ANGL. DEV. = 13.0 DEGREES +REMARK 500 LEU A 2 CA - C - O ANGL. DEV. = -21.8 DEGREES +REMARK 500 LEU A 2 O - C - N ANGL. DEV. = 30.2 DEGREES +REMARK 500 SER A 3 N - CA - CB ANGL. DEV. = -9.7 DEGREES +REMARK 500 SER A 3 CA - C - O ANGL. DEV. = 15.9 DEGREES +REMARK 500 SER A 3 O - C - N ANGL. DEV. = -14.6 DEGREES +REMARK 500 PRO A 4 C - N - CA ANGL. DEV. = -14.1 DEGREES +REMARK 500 PRO A 4 C - N - CD ANGL. DEV. = -18.4 DEGREES +REMARK 500 PRO A 4 CB - CA - C ANGL. DEV. = -30.7 DEGREES +REMARK 500 PRO A 4 CA - CB - CG ANGL. DEV. = -15.7 DEGREES +REMARK 500 PRO A 4 N - CD - CG ANGL. DEV. = -12.4 DEGREES +REMARK 500 PRO A 4 O - C - N ANGL. DEV. = -9.9 DEGREES +REMARK 500 ALA A 5 CB - CA - C ANGL. DEV. = -10.8 DEGREES +REMARK 500 ASP A 6 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES +REMARK 500 ASP A 6 CB - CG - OD2 ANGL. DEV. = -8.8 DEGREES +REMARK 500 ASP A 6 O - C - N ANGL. DEV. = 14.8 DEGREES +REMARK 500 LYS A 7 C - N - CA ANGL. DEV. = -20.2 DEGREES +REMARK 500 LYS A 7 N - CA - CB ANGL. DEV. = -13.5 DEGREES +REMARK 500 LYS A 7 CD - CE - NZ ANGL. DEV. = -27.4 DEGREES +REMARK 500 LYS A 7 N - CA - C ANGL. DEV. = 22.1 DEGREES +REMARK 500 LYS A 7 CA - C - N ANGL. DEV. = -20.1 DEGREES +REMARK 500 THR A 8 C - N - CA ANGL. DEV. = -15.7 DEGREES +REMARK 500 THR A 8 CA - CB - CG2 ANGL. DEV. = -10.7 DEGREES +REMARK 500 THR A 8 CA - C - O ANGL. DEV. = 21.3 DEGREES +REMARK 500 VAL A 10 O - C - N ANGL. DEV. = 11.4 DEGREES +REMARK 500 ALA A 12 C - N - CA ANGL. DEV. = -22.9 DEGREES +REMARK 500 ALA A 12 CB - CA - C ANGL. DEV. = -29.5 DEGREES +REMARK 500 ALA A 12 N - CA - CB ANGL. DEV. = -14.5 DEGREES +REMARK 500 ALA A 12 O - C - N ANGL. DEV. = -25.9 DEGREES +REMARK 500 ALA A 13 O - C - N ANGL. DEV. = 13.6 DEGREES +REMARK 500 TRP A 14 CA - CB - CG ANGL. DEV. = -22.4 DEGREES +REMARK 500 TRP A 14 CG - CD1 - NE1 ANGL. DEV. = -13.5 DEGREES +REMARK 500 TRP A 14 CD1 - NE1 - CE2 ANGL. DEV. = 19.8 DEGREES +REMARK 500 TRP A 14 NE1 - CE2 - CZ2 ANGL. DEV. = 11.2 DEGREES +REMARK 500 TRP A 14 CH2 - CZ2 - CE2 ANGL. DEV. = 13.2 DEGREES +REMARK 500 GLY A 15 C - N - CA ANGL. DEV. = -19.0 DEGREES +REMARK 500 GLY A 15 N - CA - C ANGL. DEV. = -24.3 DEGREES +REMARK 500 GLY A 15 CA - C - O ANGL. DEV. = -21.6 DEGREES +REMARK 500 GLY A 15 CA - C - N ANGL. DEV. = 25.6 DEGREES +REMARK 500 GLY A 15 O - C - N ANGL. DEV. = -9.9 DEGREES +REMARK 500 LYS A 16 C - N - CA ANGL. DEV. = 15.1 DEGREES +REMARK 500 LYS A 16 N - CA - CB ANGL. DEV. = 14.8 DEGREES +REMARK 500 LYS A 16 CG - CD - CE ANGL. DEV. = -48.6 DEGREES +REMARK 500 LYS A 16 CD - CE - NZ ANGL. DEV. = 17.9 DEGREES +REMARK 500 +REMARK 500 THIS ENTRY HAS 1481 ANGLE DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 SER A 3 -176.01 -60.80 +REMARK 500 LYS A 16 -55.41 -1.55 +REMARK 500 ALA A 21 -76.55 -47.40 +REMARK 500 LEU A 48 40.81 -103.90 +REMARK 500 SER A 52 150.87 -47.80 +REMARK 500 HIS A 122 -70.12 -41.02 +REMARK 500 THR B 4 -176.32 -55.07 +REMARK 500 GLU B 7 -71.39 -64.26 +REMARK 500 PHE B 45 -9.16 -52.07 +REMARK 500 ASN B 80 59.72 -142.35 +REMARK 500 TYR B 145 130.62 -35.71 +REMARK 500 SER C 3 172.94 -57.29 +REMARK 500 VAL C 17 -70.34 -65.44 +REMARK 500 LEU C 48 32.06 -92.63 +REMARK 500 ASP C 75 72.45 -151.27 +REMARK 500 LYS C 90 -77.18 -122.52 +REMARK 500 LEU C 113 71.25 -107.78 +REMARK 500 LEU D 3 -163.80 -100.24 +REMARK 500 ASN D 19 94.43 -63.05 +REMARK 500 GLN D 39 0.49 -67.48 +REMARK 500 SER D 72 -71.73 -40.75 +REMARK 500 ASP D 73 -43.09 -22.67 +REMARK 500 ALA D 76 7.73 -63.28 +REMARK 500 HIS D 77 62.58 -172.71 +REMARK 500 LEU D 78 -50.86 -25.69 +REMARK 500 ASN D 80 85.05 -167.04 +REMARK 500 HIS D 97 35.26 76.08 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS +REMARK 500 +REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH +REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED +REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND +REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. +REMARK 500 MODEL OMEGA +REMARK 500 GLY A 18 ALA A 19 -145.49 +REMARK 500 SER B 49 THR B 50 113.74 +REMARK 500 LEU D 3 THR D 4 148.65 +REMARK 500 VAL D 18 ASN D 19 148.41 +REMARK 500 LEU D 48 SER D 49 -144.37 +REMARK 500 SER D 49 THR D 50 143.57 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 HIS A 20 0.17 SIDE CHAIN +REMARK 500 GLU A 23 0.25 SIDE CHAIN +REMARK 500 TYR A 24 0.10 SIDE CHAIN +REMARK 500 PHE A 36 0.09 SIDE CHAIN +REMARK 500 HIS A 45 0.11 SIDE CHAIN +REMARK 500 HIS A 50 0.20 SIDE CHAIN +REMARK 500 GLN A 54 0.10 SIDE CHAIN +REMARK 500 ASP A 64 0.14 SIDE CHAIN +REMARK 500 HIS A 72 0.24 SIDE CHAIN +REMARK 500 ASN A 78 0.08 SIDE CHAIN +REMARK 500 ASP A 85 0.09 SIDE CHAIN +REMARK 500 ARG A 92 0.08 SIDE CHAIN +REMARK 500 ASP A 126 0.10 SIDE CHAIN +REMARK 500 ARG A 141 0.08 SIDE CHAIN +REMARK 500 HIS B 2 0.16 SIDE CHAIN +REMARK 500 GLU B 6 0.16 SIDE CHAIN +REMARK 500 ASN B 19 0.08 SIDE CHAIN +REMARK 500 ASP B 21 0.15 SIDE CHAIN +REMARK 500 GLU B 22 0.51 SIDE CHAIN +REMARK 500 GLU B 26 0.38 SIDE CHAIN +REMARK 500 ASP B 47 0.14 SIDE CHAIN +REMARK 500 ASP B 52 0.19 SIDE CHAIN +REMARK 500 HIS B 63 0.11 SIDE CHAIN +REMARK 500 ASP B 79 0.11 SIDE CHAIN +REMARK 500 ASN B 80 0.20 SIDE CHAIN +REMARK 500 GLU B 90 0.15 SIDE CHAIN +REMARK 500 ARG B 104 0.39 SIDE CHAIN +REMARK 500 HIS B 117 0.22 SIDE CHAIN +REMARK 500 PHE B 118 0.13 SIDE CHAIN +REMARK 500 GLU B 121 0.26 SIDE CHAIN +REMARK 500 HIS B 143 0.10 SIDE CHAIN +REMARK 500 HIS B 146 0.31 SIDE CHAIN +REMARK 500 ASN C 9 0.08 SIDE CHAIN +REMARK 500 HIS C 20 0.14 SIDE CHAIN +REMARK 500 GLU C 23 0.30 SIDE CHAIN +REMARK 500 HIS C 45 0.10 SIDE CHAIN +REMARK 500 PHE C 46 0.10 SIDE CHAIN +REMARK 500 ASP C 47 0.15 SIDE CHAIN +REMARK 500 ASP C 64 0.08 SIDE CHAIN +REMARK 500 ASP C 75 0.07 SIDE CHAIN +REMARK 500 ASN C 78 0.11 SIDE CHAIN +REMARK 500 ARG C 92 0.20 SIDE CHAIN +REMARK 500 GLU C 116 0.09 SIDE CHAIN +REMARK 500 ASP C 126 0.11 SIDE CHAIN +REMARK 500 ARG C 141 0.08 SIDE CHAIN +REMARK 500 HIS D 2 0.10 SIDE CHAIN +REMARK 500 GLU D 6 0.17 SIDE CHAIN +REMARK 500 GLU D 7 0.10 SIDE CHAIN +REMARK 500 ASN D 19 0.38 SIDE CHAIN +REMARK 500 ASP D 21 0.18 SIDE CHAIN +REMARK 500 +REMARK 500 THIS ENTRY HAS 71 PLANE DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 VAL A 1 -12.66 +REMARK 500 SER A 3 -13.96 +REMARK 500 PRO A 4 -17.06 +REMARK 500 ASN A 9 10.02 +REMARK 500 LYS A 11 -14.58 +REMARK 500 ALA A 12 -29.94 +REMARK 500 GLY A 15 25.08 +REMARK 500 ALA A 19 -16.87 +REMARK 500 ALA A 21 26.61 +REMARK 500 GLY A 22 15.67 +REMARK 500 THR A 41 10.65 +REMARK 500 PHE A 46 -10.97 +REMARK 500 LEU A 48 -25.01 +REMARK 500 SER A 52 -10.23 +REMARK 500 LYS A 56 14.67 +REMARK 500 GLY A 59 -10.71 +REMARK 500 LYS A 61 -11.09 +REMARK 500 ALA A 63 -17.65 +REMARK 500 ASP A 74 18.25 +REMARK 500 ASP A 75 -17.03 +REMARK 500 MET A 76 -10.23 +REMARK 500 ASN A 78 -10.93 +REMARK 500 SER A 81 -10.91 +REMARK 500 ALA A 82 11.29 +REMARK 500 LEU A 83 -10.53 +REMARK 500 ASP A 85 -12.19 +REMARK 500 ALA A 88 11.87 +REMARK 500 LYS A 90 -14.75 +REMARK 500 ASN A 97 -10.48 +REMARK 500 LYS A 99 -15.40 +REMARK 500 LEU A 101 -10.99 +REMARK 500 LEU A 106 -10.02 +REMARK 500 ALA A 111 10.63 +REMARK 500 PRO A 114 -12.36 +REMARK 500 THR A 118 -18.84 +REMARK 500 HIS A 122 17.52 +REMARK 500 VAL B 1 34.93 +REMARK 500 LEU B 3 14.19 +REMARK 500 THR B 4 -16.98 +REMARK 500 GLU B 7 12.85 +REMARK 500 LEU B 14 12.16 +REMARK 500 ASP B 21 -10.62 +REMARK 500 THR B 38 14.87 +REMARK 500 GLU B 43 -24.15 +REMARK 500 SER B 44 54.71 +REMARK 500 ASP B 47 16.37 +REMARK 500 SER B 49 -74.55 +REMARK 500 GLY B 56 -31.39 +REMARK 500 LYS B 59 -12.59 +REMARK 500 VAL B 60 10.98 +REMARK 500 +REMARK 500 THIS ENTRY HAS 130 MAIN CHAIN PLANARITY DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PO4 B 147 +REMARK 610 PO4 D 147 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM A 142 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 87 NE2 +REMARK 620 2 HEM A 142 NA 100.9 +REMARK 620 3 HEM A 142 NB 100.3 86.2 +REMARK 620 4 HEM A 142 NC 104.6 154.5 88.3 +REMARK 620 5 HEM A 142 ND 106.5 90.3 153.2 83.5 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM B 148 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 92 NE2 +REMARK 620 2 HEM B 148 NA 97.7 +REMARK 620 3 HEM B 148 NB 97.1 88.7 +REMARK 620 4 HEM B 148 NC 104.0 158.3 90.0 +REMARK 620 5 HEM B 148 ND 103.6 91.0 159.1 82.6 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM C 142 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS C 87 NE2 +REMARK 620 2 HEM C 142 NA 92.2 +REMARK 620 3 HEM C 142 NB 93.3 83.8 +REMARK 620 4 HEM C 142 NC 105.8 162.0 94.8 +REMARK 620 5 HEM C 142 ND 103.5 88.9 161.9 87.1 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM D 148 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS D 92 NE2 +REMARK 620 2 HEM D 148 NA 90.2 +REMARK 620 3 HEM D 148 NB 102.2 88.3 +REMARK 620 4 HEM D 148 NC 109.1 160.5 84.5 +REMARK 620 5 HEM D 148 ND 97.7 89.1 159.9 91.4 +REMARK 620 N 1 2 3 4 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2HHB RELATED DB: PDB +REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY PRESENTS THE +REMARK 900 BEST ESTIMATE OF THE COORDINATES. +REMARK 900 RELATED ID: 3HHB RELATED DB: PDB +REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) MOLECULAR AXIS +REMARK 900 AND THEN RE-REGULARIZED BY THE ENERGY REFINEMENT METHOD OF LEVITT. +REMARK 900 THIS ENTRY PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES, +REMARK 900 SUCH AS COMPARISON WITH OTHER STRUCTURES. +REMARK 900 RELATED ID: 1GLI RELATED DB: PDB +DBREF 4HHB A 1 141 UNP P69905 HBA_HUMAN 2 142 +DBREF 4HHB B 1 146 UNP P68871 HBB_HUMAN 2 147 +DBREF 4HHB C 1 141 UNP P69905 HBA_HUMAN 2 142 +DBREF 4HHB D 1 146 UNP P68871 HBB_HUMAN 2 147 +SEQRES 1 A 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA +SEQRES 2 A 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA +SEQRES 3 A 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR +SEQRES 4 A 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER +SEQRES 5 A 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA +SEQRES 6 A 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN +SEQRES 7 A 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU +SEQRES 8 A 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS +SEQRES 9 A 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE +SEQRES 10 A 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA +SEQRES 11 A 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG +SEQRES 1 B 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA +SEQRES 2 B 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU +SEQRES 3 B 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN +SEQRES 4 B 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP +SEQRES 5 B 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS +SEQRES 6 B 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU +SEQRES 7 B 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU +SEQRES 8 B 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG +SEQRES 9 B 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS +SEQRES 10 B 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR +SEQRES 11 B 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS +SEQRES 12 B 146 LYS TYR HIS +SEQRES 1 C 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA +SEQRES 2 C 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA +SEQRES 3 C 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR +SEQRES 4 C 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER +SEQRES 5 C 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA +SEQRES 6 C 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN +SEQRES 7 C 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU +SEQRES 8 C 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS +SEQRES 9 C 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE +SEQRES 10 C 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA +SEQRES 11 C 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG +SEQRES 1 D 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA +SEQRES 2 D 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU +SEQRES 3 D 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN +SEQRES 4 D 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP +SEQRES 5 D 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS +SEQRES 6 D 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU +SEQRES 7 D 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU +SEQRES 8 D 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG +SEQRES 9 D 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS +SEQRES 10 D 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR +SEQRES 11 D 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS +SEQRES 12 D 146 LYS TYR HIS +HET HEM A 142 43 +HET PO4 B 147 1 +HET HEM B 148 43 +HET HEM C 142 43 +HET PO4 D 147 1 +HET HEM D 148 43 +HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE +HETNAM PO4 PHOSPHATE ION +HETSYN HEM HEME +FORMUL 5 HEM 4(C34 H32 FE N4 O4) +FORMUL 6 PO4 2(O4 P 3-) +FORMUL 11 HOH *221(H2 O) +HELIX 1 AA SER A 3 GLY A 18 1 16 +HELIX 2 AB HIS A 20 SER A 35 1 16 +HELIX 3 AC PHE A 36 TYR A 42 1 7 +HELIX 4 AD HIS A 50 GLY A 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 +HELIX 5 AE SER A 52 ALA A 71 1 20 +HELIX 6 AF LEU A 80 ALA A 88 1 9 +HELIX 7 AG ASP A 94 HIS A 112 1 19 +HELIX 8 AH THR A 118 SER A 138 1 21 +HELIX 9 BA THR B 4 VAL B 18 1 15 +HELIX 10 BB ASN B 19 VAL B 34 1 16 +HELIX 11 BC TYR B 35 PHE B 41 1 7 +HELIX 12 BD THR B 50 GLY B 56 1 7 +HELIX 13 BE ASN B 57 ALA B 76 1 20 +HELIX 14 BF PHE B 85 CYS B 93 1 9 +HELIX 15 BG ASP B 99 HIS B 117 1 19 +HELIX 16 BH THR B 123 HIS B 143 1 21 +HELIX 17 CA SER C 3 GLY C 18 1 16 +HELIX 18 CB HIS C 20 SER C 35 1 16 +HELIX 19 CC PHE C 36 TYR C 42 1 7 +HELIX 20 CD HIS C 50 GLY C 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 +HELIX 21 CE SER C 52 ALA C 71 1 20 +HELIX 22 CF LEU C 80 ALA C 88 1 9 +HELIX 23 CG ASP C 94 HIS C 112 1 19 +HELIX 24 CH THR C 118 SER C 138 1 21 +HELIX 25 DA THR D 4 VAL D 18 1 15 +HELIX 26 DB ASN D 19 VAL D 34 1 16 +HELIX 27 DC TYR D 35 PHE D 41 1 7 +HELIX 28 DD THR D 50 GLY D 56 1 7 +HELIX 29 DE ASN D 57 ALA D 76 1 20 +HELIX 30 DF PHE D 85 CYS D 93 1 9 +HELIX 31 DG ASP D 99 HIS D 117 1 19 +HELIX 32 DH THR D 123 HIS D 143 1 21 +LINK NE2 HIS A 87 FE HEM A 142 1555 1555 2.14 +LINK NE2 HIS B 92 FE HEM B 148 1555 1555 2.22 +LINK NE2 HIS C 87 FE HEM C 142 1555 1555 2.26 +LINK NE2 HIS D 92 FE HEM D 148 1555 1555 1.98 +SITE 1 AC1 1 VAL D 1 +SITE 1 AC2 1 HOH B 197 +SITE 1 AC3 16 TYR A 42 PHE A 43 HIS A 45 PHE A 46 +SITE 2 AC3 16 HIS A 58 LYS A 61 LEU A 86 HIS A 87 +SITE 3 AC3 16 LEU A 91 VAL A 93 ASN A 97 PHE A 98 +SITE 4 AC3 16 LEU A 101 LEU A 136 HOH A 144 HOH A 159 +SITE 1 AC4 13 ALA A 53 HOH A 145 PHE B 41 HIS B 63 +SITE 2 AC4 13 LYS B 66 VAL B 67 HIS B 92 LEU B 96 +SITE 3 AC4 13 ASN B 102 PHE B 103 LEU B 141 HOH B 175 +SITE 4 AC4 13 HOH B 193 +SITE 1 AC5 15 TYR C 42 PHE C 43 HIS C 45 HIS C 58 +SITE 2 AC5 15 LYS C 61 LEU C 83 LEU C 86 HIS C 87 +SITE 3 AC5 15 LEU C 91 VAL C 93 ASN C 97 PHE C 98 +SITE 4 AC5 15 LEU C 136 HOH C 149 HOH C 164 +SITE 1 AC6 7 HIS D 63 LYS D 66 VAL D 67 HIS D 92 +SITE 2 AC6 7 LEU D 96 ASN D 102 LEU D 141 +CRYST1 63.150 83.590 53.800 90.00 99.34 90.00 P 1 21 1 4 +ORIGX1 0.963457 0.136613 0.230424 16.61000 +ORIGX2 -0.158977 0.983924 0.081383 13.72000 +ORIGX3 -0.215598 -0.115048 0.969683 37.65000 +SCALE1 0.015462 0.002192 0.003698 0.26656 +SCALE2 -0.001902 0.011771 0.000974 0.16413 +SCALE3 -0.001062 -0.001721 0.018728 0.75059 +MTRIX1 1 -1.000000 0.000000 0.000000 0.00001 1 +MTRIX2 1 0.000000 1.000000 0.000000 0.00002 1 +MTRIX3 1 0.000000 0.000000 -1.000000 0.00002 1 +ATOM 1 N VAL A 1 6.204 16.869 4.854 1.00 49.05 N +ATOM 2 CA VAL A 1 6.913 17.759 4.607 1.00 43.14 C +ATOM 3 C VAL A 1 8.504 17.378 4.797 1.00 24.80 C +ATOM 4 O VAL A 1 8.805 17.011 5.943 1.00 37.68 O +ATOM 5 CB VAL A 1 6.369 19.044 5.810 1.00 72.12 C +ATOM 6 CG1 VAL A 1 7.009 20.127 5.418 1.00 61.79 C +ATOM 7 CG2 VAL A 1 5.246 18.533 5.681 1.00 80.12 C +ATOM 8 N LEU A 2 9.096 18.040 3.857 1.00 26.44 N +ATOM 9 CA LEU A 2 10.600 17.889 4.283 1.00 26.32 C +ATOM 10 C LEU A 2 11.265 19.184 5.297 1.00 32.96 C +ATOM 11 O LEU A 2 10.813 20.177 4.647 1.00 31.90 O +ATOM 12 CB LEU A 2 11.099 18.007 2.815 1.00 29.23 C +ATOM 13 CG LEU A 2 11.322 16.956 1.934 1.00 37.71 C +ATOM 14 CD1 LEU A 2 11.468 15.596 2.337 1.00 39.10 C +ATOM 15 CD2 LEU A 2 11.423 17.268 0.300 1.00 37.47 C +ATOM 16 N SER A 3 11.584 18.730 6.148 1.00 28.01 N +ATOM 17 CA SER A 3 12.263 19.871 7.087 1.00 26.03 C +ATOM 18 C SER A 3 13.304 20.329 6.300 1.00 25.99 C +ATOM 19 O SER A 3 14.085 19.818 5.364 1.00 25.98 O +ATOM 20 CB SER A 3 12.744 19.045 8.223 1.00 23.41 C +ATOM 21 OG SER A 3 13.781 18.286 8.179 1.00 30.00 O +ATOM 22 N PRO A 4 14.196 21.422 7.097 1.00 37.49 N +ATOM 23 CA PRO A 4 15.048 21.890 6.206 1.00 38.81 C +ATOM 24 C PRO A 4 16.464 21.282 6.288 1.00 25.63 C +ATOM 25 O PRO A 4 17.212 20.899 5.409 1.00 34.38 O +ATOM 26 CB PRO A 4 15.814 23.113 7.166 1.00 50.44 C +ATOM 27 CG PRO A 4 14.493 23.536 7.638 1.00 43.42 C +ATOM 28 CD PRO A 4 13.298 22.523 7.651 1.00 42.77 C +ATOM 29 N ALA A 5 16.399 20.279 7.524 1.00 24.33 N +ATOM 30 CA ALA A 5 17.552 19.622 7.588 1.00 24.06 C +ATOM 31 C ALA A 5 17.376 18.283 6.601 1.00 20.01 C +ATOM 32 O ALA A 5 18.422 17.849 6.010 1.00 24.46 O +ATOM 33 CB ALA A 5 17.454 18.830 9.164 1.00 28.15 C +ATOM 34 N ASP A 6 16.050 17.799 6.298 1.00 21.19 N +ATOM 35 CA ASP A 6 15.881 16.887 5.120 1.00 23.14 C +ATOM 36 C ASP A 6 16.573 17.497 3.915 1.00 15.75 C +ATOM 37 O ASP A 6 17.240 16.611 3.235 1.00 18.92 O +ATOM 38 CB ASP A 6 14.530 16.515 4.983 1.00 18.68 C +ATOM 39 CG ASP A 6 13.966 15.638 6.125 1.00 21.70 C +ATOM 40 OD1 ASP A 6 14.573 14.751 6.678 1.00 19.76 O +ATOM 41 OD2 ASP A 6 12.734 15.931 6.321 1.00 21.26 O +ATOM 42 N LYS A 7 16.082 18.800 3.719 1.00 15.62 N +ATOM 43 CA LYS A 7 16.897 19.255 2.400 1.00 26.74 C +ATOM 44 C LYS A 7 18.354 19.319 2.072 1.00 24.82 C +ATOM 45 O LYS A 7 18.858 18.855 1.145 1.00 21.36 O +ATOM 46 CB LYS A 7 16.022 20.503 2.054 1.00 28.73 C +ATOM 47 CG LYS A 7 14.518 20.443 2.287 1.00 34.11 C +ATOM 48 CD LYS A 7 13.833 21.967 2.124 1.00 46.50 C +ATOM 49 CE LYS A 7 12.524 21.830 2.733 1.00 40.75 C +ATOM 50 NZ LYS A 7 12.310 23.286 2.231 1.00 50.05 N +ATOM 51 N THR A 8 18.879 19.583 3.554 1.00 20.80 N +ATOM 52 CA THR A 8 20.359 19.452 3.495 1.00 23.21 C +ATOM 53 C THR A 8 21.000 18.322 3.125 1.00 17.85 C +ATOM 54 O THR A 8 21.907 17.957 2.500 1.00 20.04 O +ATOM 55 CB THR A 8 20.762 20.269 4.939 1.00 31.90 C +ATOM 56 OG1 THR A 8 20.363 21.458 4.886 1.00 31.01 O +ATOM 57 CG2 THR A 8 22.026 20.115 4.978 1.00 43.78 C +ATOM 58 N ASN A 9 20.249 17.203 3.818 1.00 16.13 N +ATOM 59 CA ASN A 9 20.591 15.889 3.728 1.00 17.84 C +ATOM 60 C ASN A 9 20.630 15.286 2.184 1.00 14.45 C +ATOM 61 O ASN A 9 21.319 14.475 1.822 1.00 21.78 O +ATOM 62 CB ASN A 9 19.836 14.946 4.644 1.00 20.10 C +ATOM 63 CG ASN A 9 20.193 15.272 6.089 1.00 34.82 C +ATOM 64 OD1 ASN A 9 21.294 15.680 6.444 1.00 26.93 O +ATOM 65 ND2 ASN A 9 19.527 14.719 6.950 1.00 28.08 N +ATOM 66 N VAL A 10 19.435 15.546 1.583 1.00 19.64 N +ATOM 67 CA VAL A 10 19.157 15.110 0.179 1.00 13.04 C +ATOM 68 C VAL A 10 20.341 15.904 -0.719 1.00 18.71 C +ATOM 69 O VAL A 10 20.832 15.221 -1.618 1.00 22.34 O +ATOM 70 CB VAL A 10 17.776 15.394 -0.119 1.00 19.07 C +ATOM 71 CG1 VAL A 10 17.623 15.138 -1.549 1.00 21.59 C +ATOM 72 CG2 VAL A 10 16.816 14.756 0.575 1.00 22.75 C +ATOM 73 N LYS A 11 20.392 17.201 -0.404 1.00 18.31 N +ATOM 74 CA LYS A 11 21.297 18.030 -1.415 1.00 24.80 C +ATOM 75 C LYS A 11 22.762 17.451 -1.066 1.00 19.51 C +ATOM 76 O LYS A 11 23.584 17.190 -2.069 1.00 22.33 O +ATOM 77 CB LYS A 11 21.334 19.381 -1.059 1.00 39.77 C +ATOM 78 CG LYS A 11 20.229 20.052 -1.350 1.00 34.41 C +ATOM 79 CD LYS A 11 20.256 21.365 -1.389 1.00 46.95 C +ATOM 80 CE LYS A 11 18.633 21.891 -2.358 1.00 49.55 C +ATOM 81 NZ LYS A 11 18.398 23.088 -1.720 1.00 78.67 N +ATOM 82 N ALA A 12 23.031 16.766 0.069 1.00 20.60 N +ATOM 83 CA ALA A 12 24.347 16.671 -0.059 1.00 25.98 C +ATOM 84 C ALA A 12 24.529 15.278 -0.129 1.00 38.04 C +ATOM 85 O ALA A 12 25.505 14.711 -1.045 1.00 31.19 O +ATOM 86 CB ALA A 12 24.641 16.359 1.529 1.00 28.13 C +ATOM 87 N ALA A 13 23.581 14.281 -0.261 1.00 21.69 N +ATOM 88 CA ALA A 13 23.822 13.010 -0.701 1.00 19.11 C +ATOM 89 C ALA A 13 23.807 12.890 -2.423 1.00 22.93 C +ATOM 90 O ALA A 13 24.517 12.116 -2.938 1.00 24.98 O +ATOM 91 CB ALA A 13 22.612 12.109 -0.160 1.00 23.17 C +ATOM 92 N TRP A 14 22.807 13.763 -2.832 1.00 22.14 N +ATOM 93 CA TRP A 14 22.715 13.681 -4.311 1.00 21.27 C +ATOM 94 C TRP A 14 24.007 14.453 -5.015 1.00 28.97 C +ATOM 95 O TRP A 14 24.452 13.999 -6.086 1.00 27.61 O +ATOM 96 CB TRP A 14 21.129 14.484 -4.728 1.00 29.00 C +ATOM 97 CG TRP A 14 21.116 13.951 -5.830 1.00 25.79 C +ATOM 98 CD1 TRP A 14 21.182 14.904 -7.199 1.00 22.38 C +ATOM 99 CD2 TRP A 14 20.358 12.768 -6.306 1.00 20.46 C +ATOM 100 NE1 TRP A 14 20.545 13.886 -8.152 1.00 29.74 N +ATOM 101 CE2 TRP A 14 20.127 12.855 -7.917 1.00 27.75 C +ATOM 102 CE3 TRP A 14 19.993 11.556 -5.760 1.00 34.00 C +ATOM 103 CZ2 TRP A 14 19.685 11.924 -8.428 1.00 34.81 C +ATOM 104 CZ3 TRP A 14 19.443 10.605 -6.677 1.00 42.11 C +ATOM 105 CH2 TRP A 14 19.361 10.910 -7.988 1.00 47.54 C +ATOM 106 N GLY A 15 24.563 15.294 -4.064 1.00 40.92 N +ATOM 107 CA GLY A 15 25.545 16.032 -4.810 1.00 38.97 C +ATOM 108 C GLY A 15 26.606 14.720 -4.643 1.00 34.61 C +ATOM 109 O GLY A 15 27.532 14.956 -6.011 1.00 36.24 O +ATOM 110 N LYS A 16 27.023 14.192 -4.019 1.00 35.37 N +ATOM 111 CA LYS A 16 27.691 12.809 -3.990 1.00 29.09 C +ATOM 112 C LYS A 16 27.692 11.980 -5.322 1.00 27.28 C +ATOM 113 O LYS A 16 28.444 11.335 -5.752 1.00 36.62 O +ATOM 114 CB LYS A 16 27.773 11.881 -2.758 1.00 30.47 C +ATOM 115 CG LYS A 16 29.128 10.897 -2.949 1.00 47.02 C +ATOM 116 CD LYS A 16 30.512 12.265 -2.454 1.00 66.41 C +ATOM 117 CE LYS A 16 31.160 10.590 -3.127 1.00 65.00 C +ATOM 118 NZ LYS A 16 31.293 9.343 -2.468 1.00 69.28 N +ATOM 119 N VAL A 17 26.231 11.894 -5.716 1.00 40.63 N +ATOM 120 CA VAL A 17 25.763 11.093 -6.580 1.00 32.19 C +ATOM 121 C VAL A 17 26.644 11.417 -8.297 1.00 51.53 C +ATOM 122 O VAL A 17 27.090 10.850 -8.486 1.00 36.95 O +ATOM 123 CB VAL A 17 24.455 10.688 -6.704 1.00 24.77 C +ATOM 124 CG1 VAL A 17 24.024 10.418 -8.088 1.00 21.73 C +ATOM 125 CG2 VAL A 17 23.718 9.922 -5.546 1.00 23.90 C +ATOM 126 N GLY A 18 26.340 12.947 -7.963 1.00 36.07 N +ATOM 127 CA GLY A 18 27.063 13.723 -8.931 1.00 37.64 C +ATOM 128 C GLY A 18 26.574 12.969 -10.560 1.00 27.84 C +ATOM 129 O GLY A 18 25.253 13.110 -10.707 1.00 34.16 O +ATOM 130 N ALA A 19 27.657 12.515 -11.022 1.00 35.70 N +ATOM 131 CA ALA A 19 27.728 12.613 -12.429 1.00 37.59 C +ATOM 132 C ALA A 19 27.500 10.976 -12.552 1.00 34.69 C +ATOM 133 O ALA A 19 27.084 10.420 -13.842 1.00 48.59 O +ATOM 134 CB ALA A 19 29.012 12.664 -13.280 1.00 46.19 C +ATOM 135 N HIS A 20 27.156 10.119 -11.606 1.00 20.24 N +ATOM 136 CA HIS A 20 26.883 8.665 -11.713 1.00 19.03 C +ATOM 137 C HIS A 20 25.297 8.749 -11.742 1.00 17.82 C +ATOM 138 O HIS A 20 24.744 7.547 -11.745 1.00 20.59 O +ATOM 139 CB HIS A 20 27.211 8.007 -10.561 1.00 31.92 C +ATOM 140 CG HIS A 20 28.495 7.629 -10.284 1.00 45.35 C +ATOM 141 ND1 HIS A 20 29.488 7.023 -11.531 1.00 52.86 N +ATOM 142 CD2 HIS A 20 29.445 8.698 -9.743 1.00 43.12 C +ATOM 143 CE1 HIS A 20 30.546 7.246 -10.801 1.00 68.75 C +ATOM 144 NE2 HIS A 20 30.729 7.865 -10.003 1.00 55.89 N +ATOM 145 N ALA A 21 24.687 9.784 -11.799 1.00 29.55 N +ATOM 146 CA ALA A 21 23.159 9.917 -11.488 1.00 29.36 C +ATOM 147 C ALA A 21 22.579 8.284 -12.650 1.00 46.23 C +ATOM 148 O ALA A 21 21.659 8.109 -12.129 1.00 27.88 O +ATOM 149 CB ALA A 21 22.561 11.174 -11.335 1.00 28.64 C +ATOM 150 N GLY A 22 22.741 9.029 -13.713 1.00 27.74 N +ATOM 151 CA GLY A 22 22.302 7.955 -14.644 1.00 29.10 C +ATOM 152 C GLY A 22 22.405 6.768 -14.523 1.00 40.30 C +ATOM 153 O GLY A 22 21.884 5.714 -14.971 1.00 33.08 O +ATOM 154 N GLU A 23 23.751 6.163 -14.331 1.00 22.76 N +ATOM 155 CA GLU A 23 24.084 4.748 -14.144 1.00 14.60 C +ATOM 156 C GLU A 23 23.211 4.210 -12.893 1.00 13.41 C +ATOM 157 O GLU A 23 22.937 3.039 -12.842 1.00 16.24 O +ATOM 158 CB GLU A 23 25.664 4.939 -13.797 1.00 20.16 C +ATOM 159 CG GLU A 23 26.201 3.519 -13.776 1.00 40.65 C +ATOM 160 CD GLU A 23 28.243 3.900 -13.483 1.00 70.75 C +ATOM 161 OE1 GLU A 23 27.931 3.380 -11.875 1.00 57.57 O +ATOM 162 OE2 GLU A 23 28.452 5.212 -13.971 1.00 57.46 O +ATOM 163 N TYR A 24 23.179 5.044 -11.863 1.00 18.60 N +ATOM 164 CA TYR A 24 22.505 4.593 -10.679 1.00 26.35 C +ATOM 165 C TYR A 24 21.016 4.562 -11.095 1.00 17.67 C +ATOM 166 O TYR A 24 20.360 3.603 -10.478 1.00 17.15 O +ATOM 167 CB TYR A 24 22.464 5.807 -9.581 1.00 21.47 C +ATOM 168 CG TYR A 24 23.992 5.643 -8.868 1.00 17.94 C +ATOM 169 CD1 TYR A 24 24.282 6.445 -7.897 1.00 25.54 C +ATOM 170 CD2 TYR A 24 24.950 4.858 -9.353 1.00 18.41 C +ATOM 171 CE1 TYR A 24 25.677 6.369 -7.422 1.00 27.77 C +ATOM 172 CE2 TYR A 24 26.305 4.768 -8.960 1.00 24.84 C +ATOM 173 CZ TYR A 24 26.528 5.702 -7.748 1.00 28.92 C +ATOM 174 OH TYR A 24 27.827 5.849 -7.564 1.00 33.79 O +ATOM 175 N GLY A 25 20.378 5.478 -11.759 1.00 17.58 N +ATOM 176 CA GLY A 25 19.016 5.420 -12.390 1.00 16.95 C +ATOM 177 C GLY A 25 18.833 4.130 -12.941 1.00 12.93 C +ATOM 178 O GLY A 25 17.819 3.343 -12.872 1.00 14.53 O +ATOM 179 N ALA A 26 19.615 3.604 -13.915 1.00 15.78 N +ATOM 180 CA ALA A 26 19.582 2.579 -14.539 1.00 18.05 C +ATOM 181 C ALA A 26 19.480 1.089 -13.772 1.00 13.38 C +ATOM 182 O ALA A 26 18.901 0.084 -13.805 1.00 13.68 O +ATOM 183 CB ALA A 26 20.556 2.124 -15.501 1.00 21.17 C +ATOM 184 N GLU A 27 20.535 1.124 -12.715 1.00 13.26 N +ATOM 185 CA GLU A 27 20.575 0.021 -11.753 1.00 15.73 C +ATOM 186 C GLU A 27 19.308 -0.043 -10.886 1.00 9.69 C +ATOM 187 O GLU A 27 18.918 -1.164 -10.735 1.00 13.70 O +ATOM 188 CB GLU A 27 21.903 0.397 -10.962 1.00 17.47 C +ATOM 189 CG GLU A 27 21.998 -0.702 -9.888 1.00 16.72 C +ATOM 190 CD GLU A 27 23.378 -0.554 -8.914 1.00 28.34 C +ATOM 191 OE1 GLU A 27 23.164 -0.938 -7.844 1.00 20.53 O +ATOM 192 OE2 GLU A 27 24.282 0.068 -9.385 1.00 20.32 O +ATOM 193 N ALA A 28 18.802 1.101 -10.459 1.00 11.71 N +ATOM 194 CA ALA A 28 17.589 1.092 -9.707 1.00 14.08 C +ATOM 195 C ALA A 28 16.437 0.281 -10.410 1.00 18.50 C +ATOM 196 O ALA A 28 15.609 -0.358 -10.010 1.00 12.43 O +ATOM 197 CB ALA A 28 17.166 2.432 -9.252 1.00 19.09 C +ATOM 198 N LEU A 29 16.400 0.918 -11.698 1.00 12.19 N +ATOM 199 CA LEU A 29 15.328 0.075 -12.594 1.00 17.48 C +ATOM 200 C LEU A 29 15.559 -1.439 -12.734 1.00 9.74 C +ATOM 201 O LEU A 29 14.606 -2.189 -12.644 1.00 10.80 O +ATOM 202 CB LEU A 29 15.302 0.859 -14.203 1.00 12.13 C +ATOM 203 CG LEU A 29 14.894 2.291 -14.067 1.00 14.66 C +ATOM 204 CD1 LEU A 29 15.261 2.690 -15.515 1.00 16.80 C +ATOM 205 CD2 LEU A 29 13.402 2.225 -13.944 1.00 18.58 C +ATOM 206 N GLU A 30 16.843 -1.859 -13.083 1.00 9.20 N +ATOM 207 CA GLU A 30 17.065 -3.260 -13.067 1.00 11.66 C +ATOM 208 C GLU A 30 16.682 -4.043 -11.806 1.00 13.48 C +ATOM 209 O GLU A 30 16.222 -5.112 -11.842 1.00 17.00 O +ATOM 210 CB GLU A 30 18.445 -3.450 -13.556 1.00 19.11 C +ATOM 211 CG GLU A 30 18.613 -4.789 -13.421 1.00 27.23 C +ATOM 212 CD GLU A 30 20.397 -5.050 -14.290 1.00 43.77 C +ATOM 213 OE1 GLU A 30 21.034 -4.018 -14.191 1.00 45.21 O +ATOM 214 OE2 GLU A 30 20.320 -6.204 -14.925 1.00 45.13 O +ATOM 215 N ARG A 31 17.074 -3.325 -10.709 1.00 11.70 N +ATOM 216 CA ARG A 31 16.706 -3.885 -9.384 1.00 13.69 C +ATOM 217 C ARG A 31 15.116 -4.077 -9.266 1.00 13.95 C +ATOM 218 O ARG A 31 14.772 -5.201 -8.729 1.00 16.42 O +ATOM 219 CB ARG A 31 17.207 -3.143 -8.212 1.00 9.32 C +ATOM 220 CG ARG A 31 18.786 -3.298 -8.162 1.00 14.85 C +ATOM 221 CD ARG A 31 19.223 -2.383 -7.101 1.00 20.12 C +ATOM 222 NE ARG A 31 20.863 -2.372 -6.759 1.00 14.83 N +ATOM 223 CZ ARG A 31 21.361 -3.431 -6.210 1.00 13.22 C +ATOM 224 NH1 ARG A 31 20.746 -4.460 -5.716 1.00 11.40 N +ATOM 225 NH2 ARG A 31 22.719 -3.344 -6.301 1.00 17.34 N +ATOM 226 N MET A 32 14.439 -3.020 -9.681 1.00 11.37 N +ATOM 227 CA MET A 32 13.032 -3.139 -9.600 1.00 10.16 C +ATOM 228 C MET A 32 12.471 -4.206 -10.484 1.00 12.10 C +ATOM 229 O MET A 32 11.562 -5.027 -10.075 1.00 12.78 O +ATOM 230 CB MET A 32 12.387 -1.842 -9.978 1.00 12.48 C +ATOM 231 CG MET A 32 10.889 -1.620 -9.930 1.00 17.73 C +ATOM 232 SD MET A 32 10.285 -0.089 -10.543 1.00 15.12 S +ATOM 233 CE MET A 32 10.633 -0.449 -12.284 1.00 11.32 C +ATOM 234 N PHE A 33 12.859 -4.341 -11.658 1.00 13.98 N +ATOM 235 CA PHE A 33 12.423 -5.476 -12.584 1.00 16.07 C +ATOM 236 C PHE A 33 12.551 -6.737 -12.305 1.00 12.29 C +ATOM 237 O PHE A 33 11.788 -7.686 -12.349 1.00 14.84 O +ATOM 238 CB PHE A 33 12.947 -5.237 -13.990 1.00 11.16 C +ATOM 239 CG PHE A 33 12.536 -3.998 -14.641 1.00 10.01 C +ATOM 240 CD1 PHE A 33 11.466 -3.383 -14.673 1.00 13.62 C +ATOM 241 CD2 PHE A 33 13.679 -3.464 -15.536 1.00 19.46 C +ATOM 242 CE1 PHE A 33 11.074 -2.180 -15.483 1.00 17.65 C +ATOM 243 CE2 PHE A 33 13.177 -2.070 -16.087 1.00 14.83 C +ATOM 244 CZ PHE A 33 12.158 -1.591 -16.095 1.00 12.93 C +ATOM 245 N LEU A 34 13.735 -6.963 -11.432 1.00 16.04 N +ATOM 246 CA LEU A 34 14.079 -8.337 -11.022 1.00 14.57 C +ATOM 247 C LEU A 34 13.293 -8.578 -9.676 1.00 17.64 C +ATOM 248 O LEU A 34 12.997 -9.724 -9.442 1.00 18.98 O +ATOM 249 CB LEU A 34 15.453 -8.526 -10.814 1.00 18.08 C +ATOM 250 CG LEU A 34 16.401 -8.680 -11.761 1.00 28.60 C +ATOM 251 CD1 LEU A 34 17.957 -8.573 -11.703 1.00 25.37 C +ATOM 252 CD2 LEU A 34 15.936 -9.330 -12.871 1.00 34.83 C +ATOM 253 N SER A 35 13.220 -7.510 -8.706 1.00 15.41 N +ATOM 254 CA SER A 35 12.815 -7.908 -7.502 1.00 14.95 C +ATOM 255 C SER A 35 11.238 -7.909 -7.418 1.00 15.69 C +ATOM 256 O SER A 35 10.517 -8.531 -6.585 1.00 14.29 O +ATOM 257 CB SER A 35 13.131 -6.749 -6.442 1.00 13.14 C +ATOM 258 OG SER A 35 14.485 -7.014 -6.085 1.00 17.78 O +ATOM 259 N PHE A 36 10.680 -7.033 -8.262 1.00 13.54 N +ATOM 260 CA PHE A 36 9.195 -6.850 -8.454 1.00 13.46 C +ATOM 261 C PHE A 36 8.843 -6.910 -9.927 1.00 8.62 C +ATOM 262 O PHE A 36 8.478 -5.788 -10.556 1.00 14.12 O +ATOM 263 CB PHE A 36 8.936 -5.457 -7.919 1.00 16.50 C +ATOM 264 CG PHE A 36 9.418 -4.974 -6.493 1.00 13.63 C +ATOM 265 CD1 PHE A 36 10.591 -4.292 -6.329 1.00 11.92 C +ATOM 266 CD2 PHE A 36 8.828 -5.831 -5.362 1.00 19.28 C +ATOM 267 CE1 PHE A 36 11.048 -4.090 -5.054 1.00 15.75 C +ATOM 268 CE2 PHE A 36 9.372 -5.629 -4.112 1.00 13.78 C +ATOM 269 CZ PHE A 36 10.535 -4.872 -4.007 1.00 15.33 C +ATOM 270 N PRO A 37 8.621 -8.156 -10.145 1.00 14.18 N +ATOM 271 CA PRO A 37 8.292 -8.333 -11.715 1.00 17.12 C +ATOM 272 C PRO A 37 7.088 -7.804 -12.224 1.00 17.85 C +ATOM 273 O PRO A 37 6.976 -7.542 -13.453 1.00 18.50 O +ATOM 274 CB PRO A 37 8.433 -9.844 -11.897 1.00 23.37 C +ATOM 275 CG PRO A 37 8.573 -10.410 -10.572 1.00 28.27 C +ATOM 276 CD PRO A 37 8.857 -9.204 -9.532 1.00 20.43 C +ATOM 277 N THR A 38 6.105 -7.481 -11.322 1.00 18.86 N +ATOM 278 CA THR A 38 4.849 -6.949 -11.938 1.00 14.66 C +ATOM 279 C THR A 38 5.134 -5.609 -12.568 1.00 12.72 C +ATOM 280 O THR A 38 4.433 -5.064 -13.326 1.00 15.75 O +ATOM 281 CB THR A 38 3.879 -6.749 -10.732 1.00 19.10 C +ATOM 282 OG1 THR A 38 4.340 -6.112 -9.661 1.00 18.82 O +ATOM 283 CG2 THR A 38 3.543 -8.224 -10.416 1.00 22.69 C +ATOM 284 N THR A 39 6.269 -4.882 -12.154 1.00 14.27 N +ATOM 285 CA THR A 39 6.491 -3.556 -12.776 1.00 10.19 C +ATOM 286 C THR A 39 6.886 -3.690 -14.302 1.00 10.17 C +ATOM 287 O THR A 39 6.836 -2.719 -14.886 1.00 14.01 O +ATOM 288 CB THR A 39 7.510 -2.917 -11.996 1.00 15.56 C +ATOM 289 OG1 THR A 39 8.881 -3.562 -11.937 1.00 14.68 O +ATOM 290 CG2 THR A 39 7.258 -2.652 -10.511 1.00 20.52 C +ATOM 291 N LYS A 40 7.174 -4.831 -14.593 1.00 14.72 N +ATOM 292 CA LYS A 40 7.574 -4.871 -15.954 1.00 15.89 C +ATOM 293 C LYS A 40 6.392 -4.785 -17.012 1.00 21.37 C +ATOM 294 O LYS A 40 6.437 -4.614 -18.103 1.00 15.72 O +ATOM 295 CB LYS A 40 8.145 -6.482 -16.338 1.00 11.64 C +ATOM 296 CG LYS A 40 9.529 -6.584 -15.725 1.00 16.19 C +ATOM 297 CD LYS A 40 10.167 -7.889 -16.138 1.00 23.35 C +ATOM 298 CE LYS A 40 9.677 -9.033 -15.597 1.00 24.42 C +ATOM 299 NZ LYS A 40 10.352 -10.362 -15.922 1.00 19.04 N +ATOM 300 N THR A 41 5.127 -4.865 -16.397 1.00 13.16 N +ATOM 301 CA THR A 41 3.875 -4.707 -17.174 1.00 14.78 C +ATOM 302 C THR A 41 3.932 -3.487 -17.746 1.00 15.32 C +ATOM 303 O THR A 41 3.044 -3.054 -18.672 1.00 15.67 O +ATOM 304 CB THR A 41 2.612 -5.037 -16.228 1.00 15.38 C +ATOM 305 OG1 THR A 41 2.526 -4.071 -15.248 1.00 14.93 O +ATOM 306 CG2 THR A 41 2.578 -6.405 -15.884 1.00 16.57 C +ATOM 307 N TYR A 42 4.610 -2.356 -17.311 1.00 10.46 N +ATOM 308 CA TYR A 42 4.398 -1.015 -17.861 1.00 12.73 C +ATOM 309 C TYR A 42 5.571 -0.792 -19.101 1.00 7.07 C +ATOM 310 O TYR A 42 5.611 0.312 -19.642 1.00 12.11 O +ATOM 311 CB TYR A 42 4.898 -0.049 -16.794 1.00 14.67 C +ATOM 312 CG TYR A 42 3.618 0.026 -15.875 1.00 13.54 C +ATOM 313 CD1 TYR A 42 2.437 0.794 -16.095 1.00 19.68 C +ATOM 314 CD2 TYR A 42 3.661 -0.765 -14.634 1.00 18.38 C +ATOM 315 CE1 TYR A 42 1.433 0.570 -15.142 1.00 23.98 C +ATOM 316 CE2 TYR A 42 2.601 -0.739 -13.758 1.00 13.41 C +ATOM 317 CZ TYR A 42 1.469 -0.048 -14.033 1.00 18.96 C +ATOM 318 OH TYR A 42 0.436 -0.054 -13.115 1.00 19.81 O +ATOM 319 N PHE A 43 6.476 -1.826 -19.154 1.00 17.11 N +ATOM 320 CA PHE A 43 7.621 -1.843 -20.115 1.00 18.18 C +ATOM 321 C PHE A 43 7.472 -2.895 -21.133 1.00 24.86 C +ATOM 322 O PHE A 43 8.506 -3.413 -21.456 1.00 22.13 O +ATOM 323 CB PHE A 43 8.883 -1.731 -19.445 1.00 15.44 C +ATOM 324 CG PHE A 43 9.117 -0.406 -18.576 1.00 14.36 C +ATOM 325 CD1 PHE A 43 8.554 -0.479 -17.198 1.00 14.47 C +ATOM 326 CD2 PHE A 43 9.564 0.739 -18.886 1.00 16.54 C +ATOM 327 CE1 PHE A 43 8.777 0.624 -16.478 1.00 20.56 C +ATOM 328 CE2 PHE A 43 9.747 1.973 -18.107 1.00 17.61 C +ATOM 329 CZ PHE A 43 9.344 1.707 -16.778 1.00 18.88 C +ATOM 330 N PRO A 44 6.315 -3.239 -21.641 1.00 18.09 N +ATOM 331 CA PRO A 44 6.381 -4.414 -22.439 1.00 22.24 C +ATOM 332 C PRO A 44 7.028 -3.933 -24.077 1.00 24.15 C +ATOM 333 O PRO A 44 7.495 -4.754 -24.733 1.00 24.01 O +ATOM 334 CB PRO A 44 5.048 -4.531 -22.752 1.00 28.44 C +ATOM 335 CG PRO A 44 4.370 -3.210 -22.675 1.00 24.77 C +ATOM 336 CD PRO A 44 5.151 -2.594 -21.501 1.00 21.37 C +ATOM 337 N HIS A 45 7.181 -2.759 -24.200 1.00 22.61 N +ATOM 338 CA HIS A 45 7.861 -2.190 -25.416 1.00 32.33 C +ATOM 339 C HIS A 45 9.330 -2.042 -25.421 1.00 27.50 C +ATOM 340 O HIS A 45 9.974 -1.539 -26.257 1.00 22.34 O +ATOM 341 CB HIS A 45 7.358 -0.919 -25.693 1.00 28.91 C +ATOM 342 CG HIS A 45 7.192 0.375 -24.801 1.00 24.48 C +ATOM 343 ND1 HIS A 45 6.886 -0.058 -23.407 1.00 28.61 N +ATOM 344 CD2 HIS A 45 7.956 1.463 -24.795 1.00 25.11 C +ATOM 345 CE1 HIS A 45 7.011 1.085 -22.716 1.00 26.97 C +ATOM 346 NE2 HIS A 45 7.765 2.042 -23.628 1.00 30.40 N +ATOM 347 N PHE A 46 10.122 -2.386 -24.054 1.00 17.28 N +ATOM 348 CA PHE A 46 11.455 -2.262 -23.909 1.00 16.89 C +ATOM 349 C PHE A 46 12.005 -3.636 -24.127 1.00 16.17 C +ATOM 350 O PHE A 46 11.604 -4.686 -23.635 1.00 18.14 O +ATOM 351 CB PHE A 46 11.684 -1.700 -22.434 1.00 19.02 C +ATOM 352 CG PHE A 46 11.699 -0.399 -22.451 1.00 24.73 C +ATOM 353 CD1 PHE A 46 12.430 0.377 -21.434 1.00 19.60 C +ATOM 354 CD2 PHE A 46 11.298 0.412 -23.118 1.00 32.07 C +ATOM 355 CE1 PHE A 46 12.410 1.666 -21.260 1.00 16.62 C +ATOM 356 CE2 PHE A 46 11.265 1.969 -23.113 1.00 32.95 C +ATOM 357 CZ PHE A 46 11.777 2.738 -22.175 1.00 26.82 C +ATOM 358 N ASP A 47 13.392 -3.464 -24.534 1.00 19.28 N +ATOM 359 CA ASP A 47 14.201 -4.676 -24.267 1.00 21.11 C +ATOM 360 C ASP A 47 14.839 -4.498 -22.659 1.00 19.86 C +ATOM 361 O ASP A 47 15.431 -3.489 -22.547 1.00 21.26 O +ATOM 362 CB ASP A 47 15.523 -4.420 -25.240 1.00 18.49 C +ATOM 363 CG ASP A 47 16.401 -5.761 -25.037 1.00 31.25 C +ATOM 364 OD1 ASP A 47 16.311 -6.607 -24.275 1.00 29.75 O +ATOM 365 OD2 ASP A 47 17.439 -5.328 -25.588 1.00 43.41 O +ATOM 366 N LEU A 48 14.368 -5.324 -22.041 1.00 24.03 N +ATOM 367 CA LEU A 48 14.753 -5.341 -20.734 1.00 18.27 C +ATOM 368 C LEU A 48 15.791 -6.404 -20.198 1.00 36.02 C +ATOM 369 O LEU A 48 16.171 -6.209 -19.141 1.00 39.74 O +ATOM 370 CB LEU A 48 13.415 -5.610 -19.721 1.00 19.69 C +ATOM 371 CG LEU A 48 12.489 -4.486 -19.789 1.00 21.82 C +ATOM 372 CD1 LEU A 48 11.174 -5.208 -18.951 1.00 33.27 C +ATOM 373 CD2 LEU A 48 12.620 -3.262 -19.549 1.00 24.10 C +ATOM 374 N SER A 49 16.783 -6.499 -21.225 1.00 29.95 N +ATOM 375 CA SER A 49 18.122 -7.384 -21.060 1.00 36.57 C +ATOM 376 C SER A 49 18.846 -6.374 -20.277 1.00 27.84 C +ATOM 377 O SER A 49 19.000 -5.086 -20.358 1.00 22.88 O +ATOM 378 CB SER A 49 18.154 -8.122 -22.211 1.00 37.22 C +ATOM 379 OG SER A 49 18.651 -7.428 -22.904 1.00 43.53 O +ATOM 380 N HIS A 50 19.910 -7.126 -19.381 1.00 28.70 N +ATOM 381 CA HIS A 50 20.458 -5.929 -18.816 1.00 33.73 C +ATOM 382 C HIS A 50 21.497 -5.179 -19.493 1.00 26.32 C +ATOM 383 O HIS A 50 22.162 -5.918 -20.594 1.00 31.00 O +ATOM 384 CB HIS A 50 21.839 -7.147 -17.996 1.00 52.72 C +ATOM 385 CG HIS A 50 22.748 -6.326 -17.477 1.00 44.40 C +ATOM 386 ND1 HIS A 50 22.626 -5.701 -16.215 1.00 33.80 N +ATOM 387 CD2 HIS A 50 24.218 -6.937 -17.247 1.00 47.43 C +ATOM 388 CE1 HIS A 50 23.812 -5.042 -15.891 1.00 41.56 C +ATOM 389 NE2 HIS A 50 24.721 -5.696 -16.698 1.00 46.05 N +ATOM 390 N GLY A 51 21.750 -4.254 -19.494 1.00 24.77 N +ATOM 391 CA GLY A 51 22.455 -3.151 -20.084 1.00 47.57 C +ATOM 392 C GLY A 51 21.857 -2.536 -21.373 1.00 38.90 C +ATOM 393 O GLY A 51 22.594 -2.038 -22.085 1.00 36.29 O +ATOM 394 N SER A 52 20.675 -3.017 -21.484 1.00 31.32 N +ATOM 395 CA SER A 52 19.963 -2.196 -22.851 1.00 26.23 C +ATOM 396 C SER A 52 20.134 -0.997 -22.782 1.00 16.57 C +ATOM 397 O SER A 52 19.933 -0.129 -21.983 1.00 20.02 O +ATOM 398 CB SER A 52 18.619 -2.881 -22.964 1.00 27.24 C +ATOM 399 OG SER A 52 17.746 -2.046 -22.388 1.00 23.82 O +ATOM 400 N ALA A 53 20.194 -0.382 -24.103 1.00 17.74 N +ATOM 401 CA ALA A 53 20.270 0.998 -24.154 1.00 23.86 C +ATOM 402 C ALA A 53 18.923 1.773 -23.848 1.00 16.18 C +ATOM 403 O ALA A 53 18.953 2.849 -23.330 1.00 19.42 O +ATOM 404 CB ALA A 53 20.303 1.395 -25.787 1.00 25.47 C +ATOM 405 N GLN A 54 17.736 0.981 -23.874 1.00 20.85 N +ATOM 406 CA GLN A 54 16.512 1.657 -23.573 1.00 13.59 C +ATOM 407 C GLN A 54 16.574 1.828 -21.914 1.00 19.26 C +ATOM 408 O GLN A 54 15.942 2.867 -21.609 1.00 20.48 O +ATOM 409 CB GLN A 54 15.353 0.611 -23.904 1.00 15.39 C +ATOM 410 CG GLN A 54 14.983 0.803 -25.364 1.00 20.40 C +ATOM 411 CD GLN A 54 14.209 -0.311 -25.782 1.00 15.48 C +ATOM 412 OE1 GLN A 54 14.579 -1.521 -25.849 1.00 23.45 O +ATOM 413 NE2 GLN A 54 13.268 -0.063 -26.856 1.00 19.86 N +ATOM 414 N VAL A 55 16.964 0.770 -21.300 1.00 16.87 N +ATOM 415 CA VAL A 55 17.057 0.967 -19.825 1.00 16.48 C +ATOM 416 C VAL A 55 17.956 2.003 -19.318 1.00 17.36 C +ATOM 417 O VAL A 55 17.791 2.873 -18.570 1.00 18.40 O +ATOM 418 CB VAL A 55 17.306 -0.514 -19.268 1.00 14.78 C +ATOM 419 CG1 VAL A 55 17.609 -0.401 -17.796 1.00 21.77 C +ATOM 420 CG2 VAL A 55 16.107 -1.297 -19.446 1.00 16.83 C +ATOM 421 N LYS A 56 19.228 1.986 -19.953 1.00 16.43 N +ATOM 422 CA LYS A 56 20.094 3.039 -19.797 1.00 16.52 C +ATOM 423 C LYS A 56 19.566 4.272 -19.699 1.00 21.58 C +ATOM 424 O LYS A 56 19.825 5.350 -19.163 1.00 20.11 O +ATOM 425 CB LYS A 56 21.563 2.786 -20.316 1.00 18.35 C +ATOM 426 CG LYS A 56 21.968 1.412 -19.848 1.00 28.49 C +ATOM 427 CD LYS A 56 23.832 1.798 -20.631 1.00 44.71 C +ATOM 428 CE LYS A 56 24.647 0.185 -20.276 1.00 47.65 C +ATOM 429 NZ LYS A 56 26.042 0.618 -20.926 1.00 52.31 N +ATOM 430 N GLY A 57 19.018 4.549 -21.123 1.00 17.21 N +ATOM 431 CA GLY A 57 18.386 5.829 -21.439 1.00 25.10 C +ATOM 432 C GLY A 57 17.163 6.322 -20.441 1.00 19.44 C +ATOM 433 O GLY A 57 17.339 7.478 -20.078 1.00 20.54 O +ATOM 434 N HIS A 58 16.465 5.322 -20.170 1.00 18.79 N +ATOM 435 CA HIS A 58 15.350 5.701 -19.218 1.00 20.27 C +ATOM 436 C HIS A 58 15.995 6.080 -17.623 1.00 13.51 C +ATOM 437 O HIS A 58 15.432 7.056 -17.182 1.00 17.47 O +ATOM 438 CB HIS A 58 14.449 4.447 -19.262 1.00 17.90 C +ATOM 439 CG HIS A 58 13.058 4.996 -18.478 1.00 15.76 C +ATOM 440 ND1 HIS A 58 12.287 6.114 -18.800 1.00 20.40 N +ATOM 441 CD2 HIS A 58 12.522 4.394 -17.450 1.00 20.31 C +ATOM 442 CE1 HIS A 58 11.473 6.092 -17.719 1.00 20.13 C +ATOM 443 NE2 HIS A 58 11.497 5.103 -17.065 1.00 21.08 N +ATOM 444 N GLY A 59 16.881 5.222 -17.443 1.00 14.95 N +ATOM 445 CA GLY A 59 17.562 5.623 -16.096 1.00 18.11 C +ATOM 446 C GLY A 59 18.124 6.806 -15.942 1.00 19.85 C +ATOM 447 O GLY A 59 17.932 7.718 -15.003 1.00 15.36 O +ATOM 448 N LYS A 60 18.701 7.399 -17.074 1.00 17.17 N +ATOM 449 CA LYS A 60 19.105 8.846 -17.109 1.00 18.34 C +ATOM 450 C LYS A 60 18.266 9.905 -16.940 1.00 18.03 C +ATOM 451 O LYS A 60 18.249 10.847 -16.377 1.00 18.72 O +ATOM 452 CB LYS A 60 20.142 9.096 -18.402 1.00 30.65 C +ATOM 453 CG LYS A 60 20.617 10.355 -18.546 1.00 41.57 C +ATOM 454 CD LYS A 60 21.486 10.272 -19.721 1.00 63.44 C +ATOM 455 CE LYS A 60 22.042 12.123 -19.760 1.00 44.10 C +ATOM 456 NZ LYS A 60 23.253 10.931 -21.838 1.00 49.08 N +ATOM 457 N LYS A 61 17.057 9.480 -17.740 1.00 16.33 N +ATOM 458 CA LYS A 61 15.986 10.442 -17.612 1.00 17.87 C +ATOM 459 C LYS A 61 15.127 10.479 -16.158 1.00 14.89 C +ATOM 460 O LYS A 61 14.981 11.608 -15.829 1.00 19.71 O +ATOM 461 CB LYS A 61 14.717 10.033 -18.529 1.00 25.67 C +ATOM 462 CG LYS A 61 14.971 10.361 -20.143 1.00 41.04 C +ATOM 463 CD LYS A 61 13.959 9.646 -21.043 1.00 54.25 C +ATOM 464 CE LYS A 61 14.061 9.666 -21.851 1.00 78.95 C +ATOM 465 NZ LYS A 61 13.029 9.011 -23.092 1.00 43.58 N +ATOM 466 N VAL A 62 15.316 9.304 -15.709 1.00 15.10 N +ATOM 467 CA VAL A 62 14.699 9.322 -14.234 1.00 16.18 C +ATOM 468 C VAL A 62 15.686 10.200 -13.093 1.00 18.93 C +ATOM 469 O VAL A 62 15.095 11.051 -12.555 1.00 16.64 O +ATOM 470 CB VAL A 62 14.660 7.890 -13.835 1.00 13.59 C +ATOM 471 CG1 VAL A 62 14.141 7.704 -12.419 1.00 20.28 C +ATOM 472 CG2 VAL A 62 13.407 7.365 -14.552 1.00 17.24 C +ATOM 473 N ALA A 63 16.863 9.822 -13.546 1.00 18.60 N +ATOM 474 CA ALA A 63 17.806 10.661 -12.634 1.00 14.91 C +ATOM 475 C ALA A 63 18.050 11.967 -12.922 1.00 18.47 C +ATOM 476 O ALA A 63 17.940 12.889 -11.976 1.00 18.58 O +ATOM 477 CB ALA A 63 19.170 9.768 -12.782 1.00 37.76 C +ATOM 478 N ASP A 64 17.821 12.573 -14.198 1.00 16.80 N +ATOM 479 CA ASP A 64 17.733 13.912 -14.174 1.00 24.74 C +ATOM 480 C ASP A 64 16.549 14.773 -13.697 1.00 17.12 C +ATOM 481 O ASP A 64 16.672 15.717 -13.116 1.00 22.08 O +ATOM 482 CB ASP A 64 17.603 14.212 -15.737 1.00 35.97 C +ATOM 483 CG ASP A 64 19.349 14.293 -16.612 1.00 31.06 C +ATOM 484 OD1 ASP A 64 20.156 13.672 -15.497 1.00 35.72 O +ATOM 485 OD2 ASP A 64 18.977 14.172 -17.839 1.00 43.58 O +ATOM 486 N ALA A 65 15.332 13.912 -13.869 1.00 13.28 N +ATOM 487 CA ALA A 65 14.329 14.415 -13.017 1.00 17.27 C +ATOM 488 C ALA A 65 14.445 14.482 -11.415 1.00 13.03 C +ATOM 489 O ALA A 65 13.989 15.536 -11.013 1.00 17.77 O +ATOM 490 CB ALA A 65 12.982 13.578 -13.361 1.00 23.35 C +ATOM 491 N LEU A 66 15.162 13.498 -11.063 1.00 15.51 N +ATOM 492 CA LEU A 66 15.339 13.706 -9.605 1.00 11.63 C +ATOM 493 C LEU A 66 16.337 14.754 -9.333 1.00 19.15 C +ATOM 494 O LEU A 66 16.146 15.585 -8.334 1.00 19.52 O +ATOM 495 CB LEU A 66 15.829 12.371 -9.144 1.00 13.76 C +ATOM 496 CG LEU A 66 14.823 11.115 -8.963 1.00 19.82 C +ATOM 497 CD1 LEU A 66 15.489 9.880 -8.746 1.00 18.79 C +ATOM 498 CD2 LEU A 66 13.658 11.434 -8.143 1.00 21.54 C +ATOM 499 N THR A 67 17.286 14.890 -10.137 1.00 15.35 N +ATOM 500 CA THR A 67 18.223 15.978 -10.096 1.00 19.22 C +ATOM 501 C THR A 67 17.538 17.420 -10.103 1.00 19.35 C +ATOM 502 O THR A 67 17.647 18.426 -9.135 1.00 25.50 O +ATOM 503 CB THR A 67 19.391 15.815 -10.975 1.00 27.92 C +ATOM 504 OG1 THR A 67 20.048 14.951 -10.890 1.00 31.77 O +ATOM 505 CG2 THR A 67 20.007 17.263 -11.105 1.00 31.55 C +ATOM 506 N ASN A 68 16.575 17.470 -11.016 1.00 18.73 N +ATOM 507 CA ASN A 68 15.744 18.747 -11.028 1.00 18.68 C +ATOM 508 C ASN A 68 14.923 18.912 -9.894 1.00 24.52 C +ATOM 509 O ASN A 68 14.765 20.137 -9.247 1.00 25.75 O +ATOM 510 CB ASN A 68 14.756 18.608 -12.121 1.00 25.79 C +ATOM 511 CG ASN A 68 13.735 19.831 -12.299 1.00 36.65 C +ATOM 512 OD1 ASN A 68 14.126 20.875 -12.151 1.00 38.63 O +ATOM 513 ND2 ASN A 68 12.596 19.698 -13.037 1.00 39.67 N +ATOM 514 N ALA A 69 14.365 17.791 -9.099 1.00 17.85 N +ATOM 515 CA ALA A 69 13.480 18.120 -7.964 1.00 16.12 C +ATOM 516 C ALA A 69 14.454 18.477 -6.733 1.00 15.28 C +ATOM 517 O ALA A 69 14.055 19.178 -5.996 1.00 20.90 O +ATOM 518 CB ALA A 69 13.019 16.796 -7.635 1.00 21.91 C +ATOM 519 N VAL A 70 15.742 17.807 -6.739 1.00 18.42 N +ATOM 520 CA VAL A 70 16.670 18.320 -5.560 1.00 18.79 C +ATOM 521 C VAL A 70 17.052 19.774 -5.743 1.00 21.40 C +ATOM 522 O VAL A 70 16.986 20.472 -4.749 1.00 22.44 O +ATOM 523 CB VAL A 70 17.782 17.521 -5.616 1.00 19.75 C +ATOM 524 CG1 VAL A 70 19.021 17.739 -4.714 1.00 24.49 C +ATOM 525 CG2 VAL A 70 17.476 16.043 -5.206 1.00 30.23 C +ATOM 526 N ALA A 71 17.156 20.293 -6.971 1.00 20.17 N +ATOM 527 CA ALA A 71 17.389 21.815 -7.308 1.00 23.56 C +ATOM 528 C ALA A 71 16.370 22.294 -6.912 1.00 25.98 C +ATOM 529 O ALA A 71 16.635 23.655 -6.511 1.00 33.09 O +ATOM 530 CB ALA A 71 17.654 21.789 -8.655 1.00 32.78 C +ATOM 531 N HIS A 72 15.081 22.080 -6.888 1.00 23.78 N +ATOM 532 CA HIS A 72 13.997 22.837 -6.617 1.00 21.95 C +ATOM 533 C HIS A 72 13.181 22.411 -5.617 1.00 20.17 C +ATOM 534 O HIS A 72 11.897 22.212 -5.613 1.00 23.99 O +ATOM 535 CB HIS A 72 12.821 22.953 -7.947 1.00 35.07 C +ATOM 536 CG HIS A 72 13.866 23.277 -8.689 1.00 34.89 C +ATOM 537 ND1 HIS A 72 13.873 24.932 -9.510 1.00 43.74 N +ATOM 538 CD2 HIS A 72 14.464 23.117 -10.031 1.00 29.96 C +ATOM 539 CE1 HIS A 72 15.153 25.255 -9.959 1.00 41.69 C +ATOM 540 NE2 HIS A 72 15.223 24.225 -10.948 1.00 44.85 N +ATOM 541 N VAL A 73 13.752 21.857 -4.446 1.00 23.31 N +ATOM 542 CA VAL A 73 13.057 21.077 -3.315 1.00 23.32 C +ATOM 543 C VAL A 73 12.075 21.651 -2.904 1.00 32.07 C +ATOM 544 O VAL A 73 10.955 21.485 -2.533 1.00 42.18 O +ATOM 545 CB VAL A 73 13.998 20.556 -2.485 1.00 41.19 C +ATOM 546 CG1 VAL A 73 14.923 21.399 -1.795 1.00 52.76 C +ATOM 547 CG2 VAL A 73 13.799 19.262 -2.036 1.00 47.91 C +ATOM 548 N ASP A 74 12.275 23.065 -2.789 1.00 30.40 N +ATOM 549 CA ASP A 74 11.145 24.002 -2.142 1.00 34.95 C +ATOM 550 C ASP A 74 10.049 24.015 -3.350 1.00 50.97 C +ATOM 551 O ASP A 74 9.132 24.778 -2.717 1.00 49.62 O +ATOM 552 CB ASP A 74 11.678 25.422 -2.020 1.00 42.77 C +ATOM 553 CG ASP A 74 12.830 25.304 -0.645 1.00 52.01 C +ATOM 554 OD1 ASP A 74 12.752 24.865 0.015 1.00 49.67 O +ATOM 555 OD2 ASP A 74 14.337 25.661 -0.918 1.00 51.46 O +ATOM 556 N ASP A 75 9.922 23.915 -4.261 1.00 36.55 N +ATOM 557 CA ASP A 75 8.668 23.936 -5.208 1.00 36.46 C +ATOM 558 C ASP A 75 8.874 22.788 -6.315 1.00 19.07 C +ATOM 559 O ASP A 75 8.567 23.036 -7.581 1.00 22.77 O +ATOM 560 CB ASP A 75 9.451 25.163 -6.540 1.00 64.13 C +ATOM 561 CG ASP A 75 8.868 25.436 -6.330 1.00 74.46 C +ATOM 562 OD1 ASP A 75 7.314 26.337 -6.605 1.00 47.43 O +ATOM 563 OD2 ASP A 75 8.881 25.994 -8.289 1.00 60.83 O +ATOM 564 N MET A 76 8.625 21.775 -5.634 1.00 28.83 N +ATOM 565 CA MET A 76 8.674 20.530 -6.647 1.00 25.75 C +ATOM 566 C MET A 76 7.271 20.288 -7.401 1.00 26.47 C +ATOM 567 O MET A 76 7.358 19.996 -8.579 1.00 25.06 O +ATOM 568 CB MET A 76 8.643 19.305 -5.552 1.00 26.87 C +ATOM 569 CG MET A 76 9.740 19.092 -5.553 1.00 44.91 C +ATOM 570 SD MET A 76 10.207 17.317 -4.716 1.00 43.69 S +ATOM 571 CE MET A 76 10.186 17.272 -3.278 1.00 47.45 C +ATOM 572 N PRO A 77 6.289 20.734 -6.858 1.00 24.72 N +ATOM 573 CA PRO A 77 5.288 21.011 -7.720 1.00 32.25 C +ATOM 574 C PRO A 77 5.404 21.500 -8.895 1.00 33.71 C +ATOM 575 O PRO A 77 4.843 20.983 -10.107 1.00 27.50 O +ATOM 576 CB PRO A 77 3.868 21.504 -6.885 1.00 35.42 C +ATOM 577 CG PRO A 77 4.538 21.027 -5.570 1.00 42.65 C +ATOM 578 CD PRO A 77 5.873 20.979 -5.490 1.00 26.77 C +ATOM 579 N ASN A 78 5.832 22.745 -9.066 1.00 28.71 N +ATOM 580 CA ASN A 78 5.931 23.542 -10.146 1.00 29.25 C +ATOM 581 C ASN A 78 7.105 22.960 -10.923 1.00 25.30 C +ATOM 582 O ASN A 78 7.043 22.562 -12.258 1.00 31.49 O +ATOM 583 CB ASN A 78 6.292 25.075 -10.189 1.00 52.85 C +ATOM 584 CG ASN A 78 5.615 25.627 -10.060 1.00 62.76 C +ATOM 585 OD1 ASN A 78 4.765 26.184 -8.258 1.00 71.55 O +ATOM 586 ND2 ASN A 78 4.594 25.811 -10.486 1.00 72.60 N +ATOM 587 N ALA A 79 8.114 22.456 -10.315 1.00 21.06 N +ATOM 588 CA ALA A 79 9.264 21.897 -10.989 1.00 28.88 C +ATOM 589 C ALA A 79 8.963 20.522 -11.944 1.00 27.69 C +ATOM 590 O ALA A 79 9.465 20.431 -13.022 1.00 25.51 O +ATOM 591 CB ALA A 79 10.294 21.701 -10.105 1.00 35.64 C +ATOM 592 N LEU A 80 8.232 19.781 -11.312 1.00 22.21 N +ATOM 593 CA LEU A 80 7.767 18.341 -11.815 1.00 24.91 C +ATOM 594 C LEU A 80 6.510 18.562 -12.698 1.00 29.49 C +ATOM 595 O LEU A 80 5.875 17.479 -12.950 1.00 21.47 O +ATOM 596 CB LEU A 80 7.734 17.285 -10.765 1.00 17.03 C +ATOM 597 CG LEU A 80 9.126 17.077 -10.078 1.00 26.04 C +ATOM 598 CD1 LEU A 80 8.930 16.109 -9.016 1.00 30.97 C +ATOM 599 CD2 LEU A 80 10.040 16.545 -11.282 1.00 40.31 C +ATOM 600 N SER A 81 5.857 19.827 -12.942 1.00 21.07 N +ATOM 601 CA SER A 81 4.431 19.687 -13.335 1.00 18.09 C +ATOM 602 C SER A 81 4.363 19.087 -14.671 1.00 20.48 C +ATOM 603 O SER A 81 3.314 18.257 -14.890 1.00 25.77 O +ATOM 604 CB SER A 81 4.467 21.619 -13.861 1.00 32.64 C +ATOM 605 OG SER A 81 2.994 21.456 -13.913 1.00 44.30 O +ATOM 606 N ALA A 82 5.219 18.957 -15.594 1.00 23.80 N +ATOM 607 CA ALA A 82 5.295 18.397 -16.849 1.00 21.23 C +ATOM 608 C ALA A 82 5.047 16.984 -16.596 1.00 19.91 C +ATOM 609 O ALA A 82 4.419 16.133 -17.266 1.00 24.36 O +ATOM 610 CB ALA A 82 6.433 18.664 -17.830 1.00 22.94 C +ATOM 611 N LEU A 83 6.039 16.444 -15.755 1.00 18.35 N +ATOM 612 CA LEU A 83 5.983 14.900 -15.664 1.00 19.01 C +ATOM 613 C LEU A 83 4.967 14.491 -14.735 1.00 18.91 C +ATOM 614 O LEU A 83 4.393 13.347 -14.967 1.00 18.17 O +ATOM 615 CB LEU A 83 7.250 14.624 -14.735 1.00 22.27 C +ATOM 616 CG LEU A 83 8.130 13.821 -15.009 1.00 34.66 C +ATOM 617 CD1 LEU A 83 8.449 13.918 -16.558 1.00 28.24 C +ATOM 618 CD2 LEU A 83 9.756 14.153 -14.680 1.00 38.79 C +ATOM 619 N SER A 84 4.321 15.210 -13.869 1.00 13.22 N +ATOM 620 CA SER A 84 3.091 14.769 -13.309 1.00 14.54 C +ATOM 621 C SER A 84 1.806 14.643 -14.240 1.00 13.50 C +ATOM 622 O SER A 84 1.081 13.802 -14.037 1.00 20.19 O +ATOM 623 CB SER A 84 2.316 15.701 -11.953 1.00 25.45 C +ATOM 624 OG SER A 84 3.028 16.684 -12.075 1.00 36.19 O +ATOM 625 N ASP A 85 1.894 15.645 -15.194 1.00 15.99 N +ATOM 626 CA ASP A 85 0.657 15.457 -16.246 1.00 18.10 C +ATOM 627 C ASP A 85 0.872 14.320 -17.117 1.00 20.71 C +ATOM 628 O ASP A 85 0.085 13.524 -17.249 1.00 20.01 O +ATOM 629 CB ASP A 85 0.847 16.636 -17.207 1.00 30.89 C +ATOM 630 CG ASP A 85 0.240 17.791 -16.350 1.00 57.00 C +ATOM 631 OD1 ASP A 85 -0.408 17.890 -15.984 1.00 51.34 O +ATOM 632 OD2 ASP A 85 0.645 19.250 -17.189 1.00 50.68 O +ATOM 633 N LEU A 86 2.217 13.883 -17.444 1.00 20.13 N +ATOM 634 CA LEU A 86 2.516 12.802 -18.225 1.00 17.03 C +ATOM 635 C LEU A 86 2.094 11.499 -17.604 1.00 14.48 C +ATOM 636 O LEU A 86 1.613 10.536 -18.155 1.00 18.46 O +ATOM 637 CB LEU A 86 4.085 12.859 -18.555 1.00 16.01 C +ATOM 638 CG LEU A 86 4.479 11.856 -19.204 1.00 23.66 C +ATOM 639 CD1 LEU A 86 4.217 11.927 -20.682 1.00 40.43 C +ATOM 640 CD2 LEU A 86 6.063 11.399 -19.455 1.00 33.72 C +ATOM 641 N HIS A 87 2.488 11.534 -16.185 1.00 12.17 N +ATOM 642 CA HIS A 87 2.237 10.125 -15.649 1.00 12.85 C +ATOM 643 C HIS A 87 0.524 10.055 -15.280 1.00 15.39 C +ATOM 644 O HIS A 87 0.114 8.957 -15.394 1.00 15.03 O +ATOM 645 CB HIS A 87 2.873 10.043 -14.177 1.00 13.63 C +ATOM 646 CG HIS A 87 4.357 9.531 -14.510 1.00 14.91 C +ATOM 647 ND1 HIS A 87 5.315 10.638 -14.847 1.00 15.35 N +ATOM 648 CD2 HIS A 87 5.128 8.461 -14.450 1.00 17.85 C +ATOM 649 CE1 HIS A 87 6.425 9.938 -15.110 1.00 15.29 C +ATOM 650 NE2 HIS A 87 6.410 8.672 -14.776 1.00 15.64 N +ATOM 651 N ALA A 88 0.070 11.240 -15.092 1.00 19.56 N +ATOM 652 CA ALA A 88 -1.450 11.245 -14.731 1.00 16.45 C +ATOM 653 C ALA A 88 -2.307 10.782 -16.164 1.00 28.29 C +ATOM 654 O ALA A 88 -3.217 10.321 -15.884 1.00 25.27 O +ATOM 655 CB ALA A 88 -1.985 12.408 -13.954 1.00 17.34 C +ATOM 656 N HIS A 89 -1.856 11.542 -17.115 1.00 21.56 N +ATOM 657 CA HIS A 89 -2.652 11.471 -18.284 1.00 29.42 C +ATOM 658 C HIS A 89 -2.430 10.590 -19.375 1.00 27.17 C +ATOM 659 O HIS A 89 -3.237 9.974 -20.183 1.00 22.35 O +ATOM 660 CB HIS A 89 -2.855 12.836 -18.839 1.00 26.26 C +ATOM 661 CG HIS A 89 -3.474 13.775 -17.933 1.00 44.45 C +ATOM 662 ND1 HIS A 89 -4.582 13.545 -17.082 1.00 45.59 N +ATOM 663 CD2 HIS A 89 -3.036 15.133 -17.376 1.00 45.61 C +ATOM 664 CE1 HIS A 89 -4.931 14.373 -15.965 1.00 42.72 C +ATOM 665 NE2 HIS A 89 -3.969 15.212 -16.507 1.00 43.49 N +ATOM 666 N LYS A 90 -1.237 10.085 -19.553 1.00 18.65 N +ATOM 667 CA LYS A 90 -0.701 9.212 -20.311 1.00 28.92 C +ATOM 668 C LYS A 90 -0.235 7.836 -20.094 1.00 28.09 C +ATOM 669 O LYS A 90 -0.814 6.865 -20.213 1.00 25.04 O +ATOM 670 CB LYS A 90 0.483 9.973 -21.248 1.00 32.47 C +ATOM 671 CG LYS A 90 -0.258 11.271 -22.102 1.00 49.97 C +ATOM 672 CD LYS A 90 -1.161 11.150 -22.865 1.00 58.54 C +ATOM 673 CE LYS A 90 -0.717 12.584 -23.928 1.00 66.22 C +ATOM 674 NZ LYS A 90 -3.148 11.648 -24.501 1.00 63.54 N +ATOM 675 N LEU A 91 0.684 7.834 -19.083 1.00 17.50 N +ATOM 676 CA LEU A 91 1.357 6.678 -18.728 1.00 15.47 C +ATOM 677 C LEU A 91 0.469 5.814 -17.729 1.00 18.54 C +ATOM 678 O LEU A 91 0.360 4.623 -17.933 1.00 17.03 O +ATOM 679 CB LEU A 91 2.810 6.867 -17.956 1.00 13.84 C +ATOM 680 CG LEU A 91 3.828 7.564 -18.848 1.00 16.01 C +ATOM 681 CD1 LEU A 91 4.943 7.934 -18.256 1.00 18.27 C +ATOM 682 CD2 LEU A 91 3.998 6.811 -20.081 1.00 22.12 C +ATOM 683 N ARG A 92 -0.013 6.544 -16.785 1.00 18.03 N +ATOM 684 CA ARG A 92 -1.120 5.962 -15.831 1.00 14.41 C +ATOM 685 C ARG A 92 -0.663 4.876 -15.136 1.00 15.84 C +ATOM 686 O ARG A 92 -1.280 3.746 -14.964 1.00 17.92 O +ATOM 687 CB ARG A 92 -2.457 5.762 -16.768 1.00 18.61 C +ATOM 688 CG ARG A 92 -3.108 6.901 -17.068 1.00 25.14 C +ATOM 689 CD ARG A 92 -3.735 6.578 -19.206 1.00 53.25 C +ATOM 690 NE ARG A 92 -4.375 7.010 -18.108 1.00 51.61 N +ATOM 691 CZ ARG A 92 -5.273 6.721 -20.498 1.00 59.18 C +ATOM 692 NH1 ARG A 92 -4.092 6.059 -21.138 1.00 31.30 N +ATOM 693 NH2 ARG A 92 -6.080 6.715 -20.222 1.00 36.70 N +ATOM 694 N VAL A 93 0.444 4.876 -14.510 1.00 14.32 N +ATOM 695 CA VAL A 93 1.119 3.933 -13.665 1.00 16.19 C +ATOM 696 C VAL A 93 0.472 3.844 -12.448 1.00 13.83 C +ATOM 697 O VAL A 93 0.272 4.879 -11.643 1.00 14.88 O +ATOM 698 CB VAL A 93 2.564 4.273 -13.453 1.00 12.60 C +ATOM 699 CG1 VAL A 93 3.153 3.301 -12.513 1.00 15.68 C +ATOM 700 CG2 VAL A 93 3.314 4.342 -14.815 1.00 15.91 C +ATOM 701 N ASP A 94 0.015 2.696 -11.867 1.00 14.66 N +ATOM 702 CA ASP A 94 -0.813 2.633 -10.611 1.00 11.73 C +ATOM 703 C ASP A 94 0.271 3.244 -9.468 1.00 12.54 C +ATOM 704 O ASP A 94 1.339 2.859 -9.516 1.00 16.42 O +ATOM 705 CB ASP A 94 -1.010 1.197 -10.262 1.00 12.92 C +ATOM 706 CG ASP A 94 -1.972 1.228 -9.080 1.00 22.91 C +ATOM 707 OD1 ASP A 94 -3.187 1.146 -9.201 1.00 22.17 O +ATOM 708 OD2 ASP A 94 -1.457 1.316 -7.935 1.00 19.01 O +ATOM 709 N PRO A 95 -0.249 3.901 -8.527 1.00 16.46 N +ATOM 710 CA PRO A 95 0.567 4.636 -7.596 1.00 14.67 C +ATOM 711 C PRO A 95 1.260 3.622 -6.816 1.00 17.74 C +ATOM 712 O PRO A 95 2.400 4.046 -6.219 1.00 22.38 O +ATOM 713 CB PRO A 95 -0.368 5.238 -6.654 1.00 22.16 C +ATOM 714 CG PRO A 95 -1.377 5.777 -7.565 1.00 21.38 C +ATOM 715 CD PRO A 95 -1.576 4.623 -8.536 1.00 20.78 C +ATOM 716 N VAL A 96 0.927 2.374 -6.618 1.00 13.01 N +ATOM 717 CA VAL A 96 1.730 1.539 -5.762 1.00 11.93 C +ATOM 718 C VAL A 96 3.098 1.350 -6.142 1.00 21.27 C +ATOM 719 O VAL A 96 4.069 1.031 -5.537 1.00 16.07 O +ATOM 720 CB VAL A 96 0.857 0.099 -5.620 1.00 29.83 C +ATOM 721 CG1 VAL A 96 0.923 -0.687 -6.401 1.00 48.43 C +ATOM 722 CG2 VAL A 96 1.322 -0.240 -4.779 1.00 70.91 C +ATOM 723 N ASN A 97 3.269 1.470 -7.559 1.00 15.63 N +ATOM 724 CA ASN A 97 4.615 1.047 -8.098 1.00 10.10 C +ATOM 725 C ASN A 97 5.675 2.262 -7.895 1.00 4.91 C +ATOM 726 O ASN A 97 6.828 1.839 -7.860 1.00 9.67 O +ATOM 727 CB ASN A 97 4.581 0.892 -9.670 1.00 13.43 C +ATOM 728 CG ASN A 97 3.716 -0.282 -9.938 1.00 17.91 C +ATOM 729 OD1 ASN A 97 4.086 -1.378 -9.937 1.00 10.92 O +ATOM 730 ND2 ASN A 97 2.339 0.119 -10.294 1.00 21.96 N +ATOM 731 N PHE A 98 5.251 3.390 -7.458 1.00 9.20 N +ATOM 732 CA PHE A 98 6.132 4.482 -7.110 1.00 12.10 C +ATOM 733 C PHE A 98 6.958 4.075 -5.773 1.00 12.02 C +ATOM 734 O PHE A 98 8.240 4.323 -5.676 1.00 11.50 O +ATOM 735 CB PHE A 98 5.590 5.923 -6.936 1.00 16.66 C +ATOM 736 CG PHE A 98 5.051 6.336 -8.208 1.00 14.23 C +ATOM 737 CD1 PHE A 98 5.894 7.220 -8.806 1.00 16.70 C +ATOM 738 CD2 PHE A 98 3.842 5.962 -8.759 1.00 12.76 C +ATOM 739 CE1 PHE A 98 5.529 7.688 -9.904 1.00 23.57 C +ATOM 740 CE2 PHE A 98 3.513 6.440 -10.107 1.00 15.74 C +ATOM 741 CZ PHE A 98 4.374 7.231 -10.516 1.00 17.50 C +ATOM 742 N LYS A 99 6.362 3.356 -4.846 1.00 13.69 N +ATOM 743 CA LYS A 99 7.109 2.770 -3.687 1.00 13.57 C +ATOM 744 C LYS A 99 7.912 1.744 -3.941 1.00 14.35 C +ATOM 745 O LYS A 99 9.044 1.864 -3.350 1.00 13.29 O +ATOM 746 CB LYS A 99 5.909 2.378 -2.665 1.00 22.01 C +ATOM 747 CG LYS A 99 5.016 2.967 -2.454 1.00 54.35 C +ATOM 748 CD LYS A 99 4.488 3.000 -1.609 1.00 72.56 C +ATOM 749 CE LYS A 99 2.959 1.795 -1.600 1.00 73.99 C +ATOM 750 NZ LYS A 99 1.741 2.896 -0.134 1.00 80.12 N +ATOM 751 N LEU A 100 7.785 1.013 -5.037 1.00 9.89 N +ATOM 752 CA LEU A 100 8.665 -0.028 -5.354 1.00 8.80 C +ATOM 753 C LEU A 100 9.884 0.546 -6.019 1.00 9.28 C +ATOM 754 O LEU A 100 11.014 0.165 -5.616 1.00 12.09 O +ATOM 755 CB LEU A 100 8.009 -1.084 -6.185 1.00 11.00 C +ATOM 756 CG LEU A 100 6.724 -1.520 -5.691 1.00 16.83 C +ATOM 757 CD1 LEU A 100 6.069 -2.688 -6.703 1.00 20.94 C +ATOM 758 CD2 LEU A 100 7.065 -2.491 -4.548 1.00 18.49 C +ATOM 759 N LEU A 101 9.812 1.484 -6.927 1.00 8.39 N +ATOM 760 CA LEU A 101 10.986 2.076 -7.511 1.00 10.30 C +ATOM 761 C LEU A 101 11.701 2.979 -6.551 1.00 14.49 C +ATOM 762 O LEU A 101 12.986 2.948 -6.333 1.00 16.14 O +ATOM 763 CB LEU A 101 10.485 2.971 -8.570 1.00 11.44 C +ATOM 764 CG LEU A 101 11.708 3.704 -9.282 1.00 15.06 C +ATOM 765 CD1 LEU A 101 12.805 2.937 -9.771 1.00 17.72 C +ATOM 766 CD2 LEU A 101 11.060 4.651 -10.427 1.00 19.38 C +ATOM 767 N SER A 102 11.019 3.662 -5.475 1.00 15.17 N +ATOM 768 CA SER A 102 11.653 4.426 -4.454 1.00 9.19 C +ATOM 769 C SER A 102 12.577 3.423 -3.620 1.00 9.91 C +ATOM 770 O SER A 102 13.768 3.831 -3.267 1.00 14.07 O +ATOM 771 CB SER A 102 10.597 5.003 -3.570 1.00 12.36 C +ATOM 772 OG SER A 102 9.919 6.079 -4.248 1.00 16.52 O +ATOM 773 N HIS A 103 12.034 2.275 -3.168 1.00 12.27 N +ATOM 774 CA HIS A 103 12.685 1.217 -2.471 1.00 10.16 C +ATOM 775 C HIS A 103 14.063 1.009 -3.068 1.00 13.13 C +ATOM 776 O HIS A 103 15.226 0.862 -2.602 1.00 13.37 O +ATOM 777 CB HIS A 103 11.949 0.073 -2.013 1.00 12.31 C +ATOM 778 CG HIS A 103 12.674 -1.002 -1.380 1.00 10.33 C +ATOM 779 ND1 HIS A 103 12.899 -2.229 -2.007 1.00 10.01 N +ATOM 780 CD2 HIS A 103 13.318 -0.937 -0.179 1.00 9.56 C +ATOM 781 CE1 HIS A 103 13.687 -2.798 -1.043 1.00 12.63 C +ATOM 782 NE2 HIS A 103 14.053 -2.093 0.083 1.00 10.77 N +ATOM 783 N CYS A 104 13.914 0.657 -4.439 1.00 11.06 N +ATOM 784 CA CYS A 104 15.233 0.205 -5.307 1.00 11.72 C +ATOM 785 C CYS A 104 16.049 1.418 -5.518 1.00 9.58 C +ATOM 786 O CYS A 104 17.228 1.081 -5.567 1.00 14.10 O +ATOM 787 CB CYS A 104 14.671 -0.439 -6.552 1.00 16.81 C +ATOM 788 SG CYS A 104 13.797 -1.958 -6.414 1.00 14.76 S +ATOM 789 N LEU A 105 15.618 2.594 -5.516 1.00 7.99 N +ATOM 790 CA LEU A 105 16.723 3.634 -5.593 1.00 10.43 C +ATOM 791 C LEU A 105 17.448 3.890 -4.202 1.00 11.96 C +ATOM 792 O LEU A 105 18.594 3.985 -4.326 1.00 15.19 O +ATOM 793 CB LEU A 105 15.765 4.895 -6.092 1.00 16.93 C +ATOM 794 CG LEU A 105 15.765 5.438 -7.260 1.00 44.57 C +ATOM 795 CD1 LEU A 105 14.641 6.498 -7.442 1.00 40.98 C +ATOM 796 CD2 LEU A 105 16.687 5.564 -8.008 1.00 33.21 C +ATOM 797 N LEU A 106 16.617 3.676 -3.143 1.00 10.40 N +ATOM 798 CA LEU A 106 17.322 3.635 -1.869 1.00 15.02 C +ATOM 799 C LEU A 106 18.190 2.641 -1.668 1.00 13.79 C +ATOM 800 O LEU A 106 19.481 2.857 -1.263 1.00 13.12 O +ATOM 801 CB LEU A 106 16.241 3.634 -0.757 1.00 16.59 C +ATOM 802 CG LEU A 106 15.821 4.348 0.036 1.00 26.87 C +ATOM 803 CD1 LEU A 106 14.832 4.036 0.973 1.00 28.01 C +ATOM 804 CD2 LEU A 106 16.399 5.824 0.153 1.00 18.73 C +ATOM 805 N VAL A 107 18.054 1.391 -2.126 1.00 9.58 N +ATOM 806 CA VAL A 107 18.953 0.372 -2.172 1.00 10.69 C +ATOM 807 C VAL A 107 20.116 0.640 -3.008 1.00 12.39 C +ATOM 808 O VAL A 107 21.316 0.322 -2.651 1.00 13.09 O +ATOM 809 CB VAL A 107 18.301 -0.968 -2.671 1.00 14.48 C +ATOM 810 CG1 VAL A 107 19.286 -1.955 -2.913 1.00 19.64 C +ATOM 811 CG2 VAL A 107 17.236 -1.532 -1.566 1.00 13.81 C +ATOM 812 N THR A 108 19.963 1.288 -4.127 1.00 12.66 N +ATOM 813 CA THR A 108 21.110 1.595 -5.027 1.00 11.04 C +ATOM 814 C THR A 108 21.986 2.516 -4.350 1.00 11.25 C +ATOM 815 O THR A 108 23.209 2.402 -4.407 1.00 13.68 O +ATOM 816 CB THR A 108 20.373 2.089 -6.467 1.00 8.55 C +ATOM 817 OG1 THR A 108 19.740 1.009 -7.110 1.00 9.51 O +ATOM 818 CG2 THR A 108 21.547 2.322 -7.342 1.00 15.85 C +ATOM 819 N LEU A 109 21.371 3.638 -3.771 1.00 11.20 N +ATOM 820 CA LEU A 109 22.189 4.682 -3.080 1.00 12.61 C +ATOM 821 C LEU A 109 23.015 3.976 -1.882 1.00 16.09 C +ATOM 822 O LEU A 109 24.210 4.291 -1.739 1.00 14.60 O +ATOM 823 CB LEU A 109 21.280 5.707 -2.657 1.00 17.08 C +ATOM 824 CG LEU A 109 20.748 6.795 -3.713 1.00 24.50 C +ATOM 825 CD1 LEU A 109 19.679 7.424 -3.306 1.00 22.52 C +ATOM 826 CD2 LEU A 109 21.379 6.943 -4.782 1.00 32.08 C +ATOM 827 N ALA A 110 22.243 3.090 -1.228 1.00 13.55 N +ATOM 828 CA ALA A 110 22.985 2.551 -0.107 1.00 19.86 C +ATOM 829 C ALA A 110 24.128 1.797 -0.396 1.00 18.59 C +ATOM 830 O ALA A 110 25.285 1.654 0.094 1.00 14.76 O +ATOM 831 CB ALA A 110 21.957 1.572 0.573 1.00 17.34 C +ATOM 832 N ALA A 111 24.211 0.998 -1.558 1.00 15.15 N +ATOM 833 CA ALA A 111 25.062 0.161 -2.216 1.00 13.42 C +ATOM 834 C ALA A 111 26.376 1.017 -2.643 1.00 16.84 C +ATOM 835 O ALA A 111 27.331 0.420 -2.883 1.00 21.50 O +ATOM 836 CB ALA A 111 24.726 -0.813 -3.252 1.00 16.85 C +ATOM 837 N HIS A 112 26.089 2.220 -3.063 1.00 17.71 N +ATOM 838 CA HIS A 112 27.174 3.032 -3.686 1.00 25.83 C +ATOM 839 C HIS A 112 27.556 4.174 -2.656 1.00 21.86 C +ATOM 840 O HIS A 112 28.710 4.609 -3.162 1.00 23.07 O +ATOM 841 CB HIS A 112 26.642 3.736 -5.093 1.00 17.12 C +ATOM 842 CG HIS A 112 26.500 2.730 -6.083 1.00 18.91 C +ATOM 843 ND1 HIS A 112 27.696 2.669 -6.792 1.00 20.25 N +ATOM 844 CD2 HIS A 112 25.457 2.082 -6.643 1.00 13.97 C +ATOM 845 CE1 HIS A 112 27.065 1.572 -7.791 1.00 16.16 C +ATOM 846 NE2 HIS A 112 25.728 1.142 -7.624 1.00 16.17 N +ATOM 847 N LEU A 113 26.962 4.473 -1.633 1.00 16.18 N +ATOM 848 CA LEU A 113 27.430 5.708 -0.856 1.00 18.52 C +ATOM 849 C LEU A 113 27.676 5.161 0.490 1.00 15.09 C +ATOM 850 O LEU A 113 26.991 5.652 1.418 1.00 22.00 O +ATOM 851 CB LEU A 113 26.385 6.569 -0.567 1.00 26.60 C +ATOM 852 CG LEU A 113 25.991 7.546 -1.915 1.00 26.91 C +ATOM 853 CD1 LEU A 113 25.025 8.844 -1.799 1.00 38.78 C +ATOM 854 CD2 LEU A 113 27.117 7.882 -2.870 1.00 35.29 C +ATOM 855 N PRO A 114 28.523 4.242 0.795 1.00 18.92 N +ATOM 856 CA PRO A 114 28.714 3.528 2.218 1.00 24.61 C +ATOM 857 C PRO A 114 29.102 4.799 3.218 1.00 23.92 C +ATOM 858 O PRO A 114 28.415 4.826 4.106 1.00 21.99 O +ATOM 859 CB PRO A 114 30.033 2.940 1.849 1.00 23.94 C +ATOM 860 CG PRO A 114 30.698 3.344 0.612 1.00 18.92 C +ATOM 861 CD PRO A 114 29.469 3.904 -0.168 1.00 16.59 C +ATOM 862 N ALA A 115 29.794 5.877 2.767 1.00 18.42 N +ATOM 863 CA ALA A 115 30.159 6.863 3.921 1.00 21.98 C +ATOM 864 C ALA A 115 28.895 7.716 4.285 1.00 22.41 C +ATOM 865 O ALA A 115 28.703 8.192 5.284 1.00 22.94 O +ATOM 866 CB ALA A 115 31.247 7.657 3.369 1.00 30.20 C +ATOM 867 N GLU A 116 28.136 8.035 3.290 1.00 15.58 N +ATOM 868 CA GLU A 116 27.073 9.160 3.429 1.00 17.43 C +ATOM 869 C GLU A 116 25.648 8.548 3.788 1.00 15.97 C +ATOM 870 O GLU A 116 24.768 9.367 4.171 1.00 23.49 O +ATOM 871 CB GLU A 116 26.875 9.750 1.910 1.00 21.21 C +ATOM 872 CG GLU A 116 27.948 10.674 1.482 1.00 24.18 C +ATOM 873 CD GLU A 116 28.950 9.665 0.967 1.00 26.12 C +ATOM 874 OE1 GLU A 116 28.992 8.438 0.543 1.00 28.16 O +ATOM 875 OE2 GLU A 116 30.132 10.301 0.462 1.00 33.82 O +ATOM 876 N PHE A 117 25.414 7.310 3.661 1.00 16.62 N +ATOM 877 CA PHE A 117 24.245 6.614 3.985 1.00 14.17 C +ATOM 878 C PHE A 117 23.918 6.335 5.559 1.00 17.74 C +ATOM 879 O PHE A 117 23.649 5.222 5.819 1.00 19.92 O +ATOM 880 CB PHE A 117 23.936 5.421 3.086 1.00 12.47 C +ATOM 881 CG PHE A 117 22.448 4.906 2.825 1.00 9.61 C +ATOM 882 CD1 PHE A 117 21.681 5.713 2.037 1.00 15.09 C +ATOM 883 CD2 PHE A 117 22.071 3.807 3.568 1.00 15.73 C +ATOM 884 CE1 PHE A 117 20.396 5.197 1.858 1.00 17.90 C +ATOM 885 CE2 PHE A 117 20.593 3.448 3.517 1.00 23.05 C +ATOM 886 CZ PHE A 117 19.914 4.171 2.606 1.00 14.00 C +ATOM 887 N THR A 118 23.856 7.434 6.252 1.00 11.56 N +ATOM 888 CA THR A 118 23.660 7.280 7.655 1.00 10.93 C +ATOM 889 C THR A 118 22.259 6.982 7.820 1.00 15.34 C +ATOM 890 O THR A 118 21.447 7.435 7.051 1.00 14.33 O +ATOM 891 CB THR A 118 23.982 8.621 8.138 1.00 22.78 C +ATOM 892 OG1 THR A 118 23.375 9.780 7.827 1.00 25.00 O +ATOM 893 CG2 THR A 118 25.586 8.842 8.226 1.00 25.00 C +ATOM 894 N PRO A 119 21.833 6.884 9.086 1.00 16.93 N +ATOM 895 CA PRO A 119 20.398 6.708 9.436 1.00 7.97 C +ATOM 896 C PRO A 119 19.633 7.821 9.121 1.00 9.71 C +ATOM 897 O PRO A 119 18.484 7.899 8.632 1.00 13.14 O +ATOM 898 CB PRO A 119 20.352 6.336 10.909 1.00 15.02 C +ATOM 899 CG PRO A 119 21.556 5.500 11.105 1.00 20.08 C +ATOM 900 CD PRO A 119 22.686 6.188 10.125 1.00 23.85 C +ATOM 901 N ALA A 120 20.184 9.026 9.484 1.00 18.30 N +ATOM 902 CA ALA A 120 19.624 10.215 9.304 1.00 20.48 C +ATOM 903 C ALA A 120 19.441 10.650 7.769 1.00 11.11 C +ATOM 904 O ALA A 120 18.342 11.025 7.255 1.00 14.90 O +ATOM 905 CB ALA A 120 20.042 11.527 10.014 1.00 21.25 C +ATOM 906 N VAL A 121 20.278 10.312 7.027 1.00 15.02 N +ATOM 907 CA VAL A 121 20.243 10.488 5.614 1.00 11.64 C +ATOM 908 C VAL A 121 19.214 9.526 4.899 1.00 13.80 C +ATOM 909 O VAL A 121 18.469 9.919 4.066 1.00 15.60 O +ATOM 910 CB VAL A 121 21.606 10.473 4.939 1.00 16.28 C +ATOM 911 CG1 VAL A 121 21.595 10.524 3.309 1.00 17.80 C +ATOM 912 CG2 VAL A 121 22.496 11.659 5.330 1.00 19.30 C +ATOM 913 N HIS A 122 19.312 8.350 5.306 1.00 15.45 N +ATOM 914 CA HIS A 122 18.254 7.136 4.913 1.00 11.57 C +ATOM 915 C HIS A 122 16.950 7.952 5.022 1.00 13.88 C +ATOM 916 O HIS A 122 16.085 7.716 4.230 1.00 13.87 O +ATOM 917 CB HIS A 122 18.754 5.950 5.667 1.00 12.36 C +ATOM 918 CG HIS A 122 17.848 4.887 5.471 1.00 15.49 C +ATOM 919 ND1 HIS A 122 18.318 3.588 6.013 1.00 14.41 N +ATOM 920 CD2 HIS A 122 16.770 4.643 4.716 1.00 16.00 C +ATOM 921 CE1 HIS A 122 17.238 2.617 5.530 1.00 20.76 C +ATOM 922 NE2 HIS A 122 16.304 3.230 4.756 1.00 17.17 N +ATOM 923 N ALA A 123 16.659 8.268 6.248 1.00 12.31 N +ATOM 924 CA ALA A 123 15.409 8.791 6.637 1.00 12.34 C +ATOM 925 C ALA A 123 14.961 9.969 5.694 1.00 12.36 C +ATOM 926 O ALA A 123 13.756 10.012 5.125 1.00 16.22 O +ATOM 927 CB ALA A 123 15.295 9.229 8.074 1.00 18.20 C +ATOM 928 N SER A 124 15.970 10.909 5.411 1.00 11.72 N +ATOM 929 CA SER A 124 15.641 12.024 4.678 1.00 15.71 C +ATOM 930 C SER A 124 15.409 11.594 3.146 1.00 11.97 C +ATOM 931 O SER A 124 14.491 12.176 2.530 1.00 13.78 O +ATOM 932 CB SER A 124 16.719 13.075 4.649 1.00 17.31 C +ATOM 933 OG SER A 124 16.856 13.618 5.975 1.00 19.36 O +ATOM 934 N LEU A 125 16.244 10.663 2.745 1.00 11.45 N +ATOM 935 CA LEU A 125 16.012 10.336 1.348 1.00 9.77 C +ATOM 936 C LEU A 125 14.814 9.607 1.165 1.00 13.87 C +ATOM 937 O LEU A 125 14.134 9.697 0.072 1.00 12.03 O +ATOM 938 CB LEU A 125 17.131 9.446 0.945 1.00 14.61 C +ATOM 939 CG LEU A 125 18.555 9.965 0.565 1.00 15.39 C +ATOM 940 CD1 LEU A 125 19.590 8.976 0.528 1.00 26.84 C +ATOM 941 CD2 LEU A 125 18.455 10.851 -0.577 1.00 19.46 C +ATOM 942 N ASP A 126 14.277 8.735 2.034 1.00 13.89 N +ATOM 943 CA ASP A 126 13.042 7.997 2.040 1.00 14.28 C +ATOM 944 C ASP A 126 11.977 8.930 1.898 1.00 13.60 C +ATOM 945 O ASP A 126 10.911 8.959 1.188 1.00 12.25 O +ATOM 946 CB ASP A 126 12.901 7.025 3.127 1.00 9.77 C +ATOM 947 CG ASP A 126 11.751 5.958 3.086 1.00 17.51 C +ATOM 948 OD1 ASP A 126 11.597 5.517 1.933 1.00 22.67 O +ATOM 949 OD2 ASP A 126 10.812 6.013 3.738 1.00 20.83 O +ATOM 950 N LYS A 127 11.945 10.077 2.732 1.00 11.87 N +ATOM 951 CA LYS A 127 11.051 11.143 2.756 1.00 11.94 C +ATOM 952 C LYS A 127 11.080 11.794 1.382 1.00 16.34 C +ATOM 953 O LYS A 127 9.925 12.173 0.922 1.00 15.26 O +ATOM 954 CB LYS A 127 11.131 11.830 4.210 1.00 27.23 C +ATOM 955 CG LYS A 127 10.719 12.405 4.298 1.00 41.38 C +ATOM 956 CD LYS A 127 10.893 12.716 6.240 1.00 22.35 C +ATOM 957 CE LYS A 127 10.245 13.990 6.093 1.00 24.85 C +ATOM 958 NZ LYS A 127 10.431 14.893 7.319 1.00 27.43 N +ATOM 959 N PHE A 128 12.109 12.155 0.978 1.00 9.60 N +ATOM 960 CA PHE A 128 12.219 12.896 -0.315 1.00 9.45 C +ATOM 961 C PHE A 128 11.648 12.055 -1.437 1.00 11.35 C +ATOM 962 O PHE A 128 10.825 12.624 -2.222 1.00 13.72 O +ATOM 963 CB PHE A 128 13.691 13.118 -0.597 1.00 10.04 C +ATOM 964 CG PHE A 128 13.845 13.645 -2.016 1.00 12.71 C +ATOM 965 CD1 PHE A 128 13.433 15.022 -2.350 1.00 22.47 C +ATOM 966 CD2 PHE A 128 14.442 12.953 -2.821 1.00 15.10 C +ATOM 967 CE1 PHE A 128 13.646 15.369 -3.684 1.00 21.90 C +ATOM 968 CE2 PHE A 128 15.006 13.229 -4.197 1.00 24.41 C +ATOM 969 CZ PHE A 128 14.491 14.511 -4.397 1.00 19.00 C +ATOM 970 N LEU A 129 11.863 10.701 -1.438 1.00 10.92 N +ATOM 971 CA LEU A 129 11.247 9.983 -2.588 1.00 8.59 C +ATOM 972 C LEU A 129 9.888 9.762 -2.445 1.00 15.58 C +ATOM 973 O LEU A 129 9.123 9.780 -3.420 1.00 12.33 O +ATOM 974 CB LEU A 129 11.971 8.639 -2.709 1.00 11.08 C +ATOM 975 CG LEU A 129 13.553 8.574 -3.067 1.00 16.43 C +ATOM 976 CD1 LEU A 129 14.162 7.385 -2.920 1.00 21.21 C +ATOM 977 CD2 LEU A 129 13.509 9.197 -4.648 1.00 24.11 C +ATOM 978 N ALA A 130 9.315 9.777 -1.285 1.00 13.59 N +ATOM 979 CA ALA A 130 7.861 9.751 -0.992 1.00 12.80 C +ATOM 980 C ALA A 130 7.198 11.000 -1.487 1.00 13.10 C +ATOM 981 O ALA A 130 6.124 11.123 -2.087 1.00 16.72 O +ATOM 982 CB ALA A 130 7.566 9.549 0.507 1.00 11.70 C +ATOM 983 N SER A 131 7.929 12.205 -1.316 1.00 12.15 N +ATOM 984 CA SER A 131 7.318 13.421 -1.788 1.00 17.97 C +ATOM 985 C SER A 131 7.403 13.484 -3.383 1.00 14.23 C +ATOM 986 O SER A 131 6.313 14.078 -3.819 1.00 17.89 O +ATOM 987 CB SER A 131 8.230 14.652 -1.217 1.00 19.09 C +ATOM 988 OG SER A 131 7.985 14.599 -0.027 1.00 34.89 O +ATOM 989 N VAL A 132 8.509 13.092 -3.817 1.00 11.02 N +ATOM 990 CA VAL A 132 8.474 13.187 -5.332 1.00 13.44 C +ATOM 991 C VAL A 132 7.379 12.239 -5.739 1.00 13.26 C +ATOM 992 O VAL A 132 6.574 12.766 -6.727 1.00 14.28 O +ATOM 993 CB VAL A 132 9.676 12.669 -5.775 1.00 17.47 C +ATOM 994 CG1 VAL A 132 9.886 12.366 -7.268 1.00 23.96 C +ATOM 995 CG2 VAL A 132 10.893 13.605 -5.556 1.00 15.24 C +ATOM 996 N SER A 133 7.084 11.034 -5.279 1.00 11.44 N +ATOM 997 CA SER A 133 6.003 10.145 -5.616 1.00 14.28 C +ATOM 998 C SER A 133 4.653 10.824 -5.346 1.00 22.70 C +ATOM 999 O SER A 133 3.857 10.661 -6.312 1.00 18.73 O +ATOM 1000 CB SER A 133 6.206 8.913 -4.797 1.00 14.07 C +ATOM 1001 OG SER A 133 7.326 8.157 -5.136 1.00 16.41 O +ATOM 1002 N THR A 134 4.415 11.603 -4.390 1.00 14.75 N +ATOM 1003 CA THR A 134 3.185 12.188 -4.293 1.00 11.93 C +ATOM 1004 C THR A 134 3.018 13.180 -5.135 1.00 12.33 C +ATOM 1005 O THR A 134 1.906 13.411 -5.657 1.00 15.87 O +ATOM 1006 CB THR A 134 3.337 12.691 -2.840 1.00 23.98 C +ATOM 1007 OG1 THR A 134 3.226 11.963 -1.926 1.00 24.65 O +ATOM 1008 CG2 THR A 134 2.127 13.740 -2.527 1.00 35.48 C +ATOM 1009 N VAL A 135 3.914 14.063 -5.633 1.00 16.85 N +ATOM 1010 CA VAL A 135 3.773 15.122 -6.561 1.00 15.02 C +ATOM 1011 C VAL A 135 3.692 14.401 -7.901 1.00 18.49 C +ATOM 1012 O VAL A 135 2.676 14.854 -8.623 1.00 17.84 O +ATOM 1013 CB VAL A 135 5.097 16.044 -6.643 1.00 21.41 C +ATOM 1014 CG1 VAL A 135 5.125 16.829 -7.908 1.00 28.88 C +ATOM 1015 CG2 VAL A 135 5.265 16.767 -5.381 1.00 18.54 C +ATOM 1016 N LEU A 136 4.254 13.322 -8.291 1.00 15.13 N +ATOM 1017 CA LEU A 136 3.951 12.616 -9.538 1.00 14.14 C +ATOM 1018 C LEU A 136 2.480 12.083 -9.717 1.00 16.82 C +ATOM 1019 O LEU A 136 2.071 11.725 -10.914 1.00 16.56 O +ATOM 1020 CB LEU A 136 5.082 11.671 -9.878 1.00 19.05 C +ATOM 1021 CG LEU A 136 6.468 12.174 -10.486 1.00 19.99 C +ATOM 1022 CD1 LEU A 136 7.357 11.046 -10.401 1.00 23.33 C +ATOM 1023 CD2 LEU A 136 6.502 13.371 -11.272 1.00 20.84 C +ATOM 1024 N THR A 137 1.951 11.790 -8.618 1.00 14.14 N +ATOM 1025 CA THR A 137 0.509 10.996 -8.584 1.00 17.11 C +ATOM 1026 C THR A 137 -0.385 12.070 -8.267 1.00 15.43 C +ATOM 1027 O THR A 137 -1.637 11.700 -8.230 1.00 15.99 O +ATOM 1028 CB THR A 137 0.560 9.964 -6.978 1.00 17.27 C +ATOM 1029 OG1 THR A 137 1.278 8.939 -8.074 1.00 28.37 O +ATOM 1030 CG2 THR A 137 1.320 10.263 -6.388 1.00 47.04 C +ATOM 1031 N SER A 138 -0.164 13.266 -8.168 1.00 16.91 N +ATOM 1032 CA SER A 138 -0.947 14.363 -7.753 1.00 23.51 C +ATOM 1033 C SER A 138 -2.266 14.743 -8.597 1.00 23.60 C +ATOM 1034 O SER A 138 -3.250 14.937 -8.017 1.00 27.80 O +ATOM 1035 CB SER A 138 0.046 16.222 -7.976 1.00 22.76 C +ATOM 1036 OG SER A 138 -0.261 15.617 -6.862 1.00 45.85 O +ATOM 1037 N LYS A 139 -2.026 14.453 -9.807 1.00 19.13 N +ATOM 1038 CA LYS A 139 -3.058 14.995 -10.892 1.00 21.43 C +ATOM 1039 C LYS A 139 -3.804 13.721 -11.284 1.00 18.35 C +ATOM 1040 O LYS A 139 -4.384 13.814 -12.266 1.00 22.16 O +ATOM 1041 CB LYS A 139 -2.474 15.794 -11.975 1.00 24.13 C +ATOM 1042 CG LYS A 139 -1.839 16.973 -11.481 1.00 28.98 C +ATOM 1043 CD LYS A 139 -0.886 17.619 -12.549 1.00 33.18 C +ATOM 1044 CE LYS A 139 -0.495 18.885 -12.192 1.00 52.82 C +ATOM 1045 NZ LYS A 139 0.788 19.253 -13.621 1.00 55.02 N +ATOM 1046 N TYR A 140 -3.715 12.530 -10.777 1.00 17.12 N +ATOM 1047 CA TYR A 140 -4.275 11.374 -11.162 1.00 22.48 C +ATOM 1048 C TYR A 140 -5.830 11.291 -11.160 1.00 18.75 C +ATOM 1049 O TYR A 140 -6.423 10.704 -12.162 1.00 22.47 O +ATOM 1050 CB TYR A 140 -3.896 10.028 -10.426 1.00 23.15 C +ATOM 1051 CG TYR A 140 -2.655 9.444 -11.006 1.00 15.57 C +ATOM 1052 CD1 TYR A 140 -2.495 7.940 -11.096 1.00 16.98 C +ATOM 1053 CD2 TYR A 140 -1.471 10.093 -11.392 1.00 18.11 C +ATOM 1054 CE1 TYR A 140 -1.296 7.400 -11.625 1.00 19.97 C +ATOM 1055 CE2 TYR A 140 -0.267 9.379 -11.806 1.00 14.94 C +ATOM 1056 CZ TYR A 140 -0.246 7.948 -11.911 1.00 17.89 C +ATOM 1057 OH TYR A 140 0.808 7.493 -12.283 1.00 18.05 O +ATOM 1058 N ARG A 141 -6.399 12.034 -10.391 1.00 17.59 N +ATOM 1059 CA ARG A 141 -8.000 12.137 -10.191 1.00 24.58 C +ATOM 1060 C ARG A 141 -8.327 13.610 -9.572 1.00 44.44 C +ATOM 1061 O ARG A 141 -7.492 14.016 -8.882 1.00 21.81 O +ATOM 1062 CB ARG A 141 -8.478 10.914 -9.869 1.00 33.40 C +ATOM 1063 CG ARG A 141 -8.068 10.650 -8.145 1.00 17.28 C +ATOM 1064 CD ARG A 141 -9.053 9.446 -7.867 1.00 14.66 C +ATOM 1065 NE ARG A 141 -8.372 9.269 -6.610 1.00 22.73 N +ATOM 1066 CZ ARG A 141 -9.233 8.420 -5.781 1.00 26.88 C +ATOM 1067 NH1 ARG A 141 -10.147 7.455 -6.079 1.00 23.24 N +ATOM 1068 NH2 ARG A 141 -8.672 8.328 -4.506 1.00 33.34 N +ATOM 1069 OXT ARG A 141 -9.474 13.682 -9.742 1.00 31.52 O +TER 1070 ARG A 141 +ATOM 1071 N VAL B 1 9.223 -20.614 1.365 1.00 46.08 N +ATOM 1072 CA VAL B 1 8.694 -20.026 -0.123 1.00 70.96 C +ATOM 1073 C VAL B 1 9.668 -21.068 -1.645 1.00 69.74 C +ATOM 1074 O VAL B 1 9.370 -22.612 -0.994 1.00 71.82 O +ATOM 1075 CB VAL B 1 9.283 -18.281 -0.381 1.00 59.18 C +ATOM 1076 CG1 VAL B 1 7.449 -17.518 -0.791 1.00 57.89 C +ATOM 1077 CG2 VAL B 1 10.416 -18.038 0.066 1.00 44.20 C +ATOM 1078 N HIS B 2 9.270 -20.650 -2.180 1.00 53.55 N +ATOM 1079 CA HIS B 2 10.245 -21.378 -3.143 1.00 62.62 C +ATOM 1080 C HIS B 2 11.419 -20.331 -4.099 1.00 51.71 C +ATOM 1081 O HIS B 2 11.252 -19.250 -5.024 1.00 48.42 O +ATOM 1082 CB HIS B 2 9.225 -20.955 -4.825 1.00 62.58 C +ATOM 1083 CG HIS B 2 9.378 -21.082 -5.634 1.00 73.96 C +ATOM 1084 ND1 HIS B 2 9.645 -19.683 -6.869 1.00 80.12 N +ATOM 1085 CD2 HIS B 2 10.077 -22.950 -6.116 1.00 63.02 C +ATOM 1086 CE1 HIS B 2 10.672 -21.165 -8.087 1.00 76.40 C +ATOM 1087 NE2 HIS B 2 11.344 -22.584 -7.734 1.00 62.86 N +ATOM 1088 N LEU B 3 12.365 -20.722 -3.649 1.00 43.89 N +ATOM 1089 CA LEU B 3 13.611 -20.183 -4.477 1.00 43.79 C +ATOM 1090 C LEU B 3 14.557 -21.356 -5.125 1.00 32.77 C +ATOM 1091 O LEU B 3 14.340 -22.536 -4.780 1.00 41.84 O +ATOM 1092 CB LEU B 3 14.522 -19.852 -2.996 1.00 28.80 C +ATOM 1093 CG LEU B 3 13.980 -18.598 -2.183 1.00 28.70 C +ATOM 1094 CD1 LEU B 3 14.846 -18.445 -1.199 1.00 63.39 C +ATOM 1095 CD2 LEU B 3 14.509 -17.517 -3.001 1.00 32.10 C +ATOM 1096 N THR B 4 14.840 -20.756 -6.280 1.00 42.35 N +ATOM 1097 CA THR B 4 15.864 -21.825 -6.744 1.00 41.74 C +ATOM 1098 C THR B 4 16.873 -22.187 -6.071 1.00 36.91 C +ATOM 1099 O THR B 4 17.370 -21.395 -5.237 1.00 31.57 O +ATOM 1100 CB THR B 4 15.949 -21.050 -8.090 1.00 38.91 C +ATOM 1101 OG1 THR B 4 16.952 -20.015 -8.082 1.00 52.85 O +ATOM 1102 CG2 THR B 4 14.967 -20.467 -9.056 1.00 56.94 C +ATOM 1103 N PRO B 5 17.854 -23.111 -6.524 1.00 45.56 N +ATOM 1104 CA PRO B 5 18.731 -23.731 -6.023 1.00 47.54 C +ATOM 1105 C PRO B 5 19.935 -22.444 -5.760 1.00 37.80 C +ATOM 1106 O PRO B 5 20.658 -22.372 -4.793 1.00 33.06 O +ATOM 1107 CB PRO B 5 19.534 -24.900 -6.291 1.00 62.12 C +ATOM 1108 CG PRO B 5 18.296 -25.318 -7.157 1.00 42.55 C +ATOM 1109 CD PRO B 5 17.186 -24.560 -7.385 1.00 48.08 C +ATOM 1110 N GLU B 6 19.819 -21.815 -6.978 1.00 27.00 N +ATOM 1111 CA GLU B 6 20.898 -20.991 -7.230 1.00 34.37 C +ATOM 1112 C GLU B 6 20.521 -19.635 -6.155 1.00 23.02 C +ATOM 1113 O GLU B 6 21.687 -18.920 -5.617 1.00 28.54 O +ATOM 1114 CB GLU B 6 20.842 -20.165 -8.661 1.00 37.20 C +ATOM 1115 CG GLU B 6 20.141 -19.957 -9.396 1.00 66.65 C +ATOM 1116 CD GLU B 6 19.153 -21.597 -10.181 1.00 60.44 C +ATOM 1117 OE1 GLU B 6 20.183 -22.830 -9.731 1.00 63.16 O +ATOM 1118 OE2 GLU B 6 18.299 -21.975 -10.007 1.00 70.62 O +ATOM 1119 N GLU B 7 19.362 -19.413 -5.964 1.00 31.47 N +ATOM 1120 CA GLU B 7 18.560 -18.284 -5.124 1.00 34.08 C +ATOM 1121 C GLU B 7 19.160 -18.789 -3.682 1.00 21.49 C +ATOM 1122 O GLU B 7 19.620 -17.847 -3.008 1.00 27.04 O +ATOM 1123 CB GLU B 7 17.625 -18.097 -5.359 1.00 35.55 C +ATOM 1124 CG GLU B 7 17.103 -17.196 -6.791 1.00 33.74 C +ATOM 1125 CD GLU B 7 15.759 -16.911 -6.659 1.00 31.89 C +ATOM 1126 OE1 GLU B 7 15.476 -15.756 -7.225 1.00 52.51 O +ATOM 1127 OE2 GLU B 7 14.748 -17.803 -6.419 1.00 32.56 O +ATOM 1128 N LYS B 8 18.747 -19.865 -3.237 1.00 26.08 N +ATOM 1129 CA LYS B 8 19.026 -20.305 -2.016 1.00 32.23 C +ATOM 1130 C LYS B 8 20.466 -20.216 -1.796 1.00 26.59 C +ATOM 1131 O LYS B 8 21.162 -19.731 -0.601 1.00 26.11 O +ATOM 1132 CB LYS B 8 18.395 -21.925 -1.875 1.00 36.34 C +ATOM 1133 CG LYS B 8 18.802 -22.252 -1.182 1.00 64.20 C +ATOM 1134 CD LYS B 8 18.769 -23.771 -0.248 1.00 73.64 C +ATOM 1135 CE LYS B 8 19.461 -24.137 0.849 1.00 79.30 C +ATOM 1136 NZ LYS B 8 19.874 -26.365 1.034 1.00 66.73 N +ATOM 1137 N SER B 9 21.467 -20.675 -2.533 1.00 23.88 N +ATOM 1138 CA SER B 9 22.559 -20.677 -2.426 1.00 36.76 C +ATOM 1139 C SER B 9 23.490 -19.070 -2.230 1.00 37.61 C +ATOM 1140 O SER B 9 24.284 -18.831 -1.430 1.00 28.84 O +ATOM 1141 CB SER B 9 23.619 -21.853 -3.256 1.00 36.63 C +ATOM 1142 OG SER B 9 23.958 -20.627 -4.033 1.00 64.02 O +ATOM 1143 N ALA B 10 22.719 -18.196 -3.034 1.00 21.54 N +ATOM 1144 CA ALA B 10 23.262 -17.029 -2.963 1.00 32.77 C +ATOM 1145 C ALA B 10 22.792 -16.202 -1.459 1.00 23.64 C +ATOM 1146 O ALA B 10 23.628 -15.408 -0.898 1.00 26.26 O +ATOM 1147 CB ALA B 10 22.504 -16.176 -3.856 1.00 30.88 C +ATOM 1148 N VAL B 11 21.589 -16.575 -0.940 1.00 22.75 N +ATOM 1149 CA VAL B 11 21.174 -16.108 0.417 1.00 18.12 C +ATOM 1150 C VAL B 11 22.242 -16.512 1.434 1.00 18.13 C +ATOM 1151 O VAL B 11 22.655 -15.680 2.245 1.00 19.40 O +ATOM 1152 CB VAL B 11 19.853 -16.542 0.518 1.00 19.48 C +ATOM 1153 CG1 VAL B 11 19.403 -16.415 1.946 1.00 26.15 C +ATOM 1154 CG2 VAL B 11 18.815 -15.702 -0.276 1.00 23.37 C +ATOM 1155 N THR B 12 22.386 -17.775 1.358 1.00 19.01 N +ATOM 1156 CA THR B 12 23.153 -18.592 2.377 1.00 25.04 C +ATOM 1157 C THR B 12 24.569 -18.098 2.437 1.00 20.68 C +ATOM 1158 O THR B 12 25.254 -17.692 3.335 1.00 23.87 O +ATOM 1159 CB THR B 12 23.196 -20.284 2.185 1.00 42.63 C +ATOM 1160 OG1 THR B 12 22.010 -20.433 2.444 1.00 42.78 O +ATOM 1161 CG2 THR B 12 23.729 -20.348 1.974 1.00 67.38 C +ATOM 1162 N ALA B 13 25.190 -17.913 1.267 1.00 22.79 N +ATOM 1163 CA ALA B 13 26.401 -17.387 1.166 1.00 26.66 C +ATOM 1164 C ALA B 13 26.828 -16.135 1.582 1.00 26.26 C +ATOM 1165 O ALA B 13 27.614 -15.809 2.378 1.00 27.07 O +ATOM 1166 CB ALA B 13 26.857 -17.378 -0.445 1.00 26.35 C +ATOM 1167 N LEU B 14 25.928 -14.999 1.236 1.00 15.70 N +ATOM 1168 CA LEU B 14 26.092 -13.737 1.994 1.00 15.10 C +ATOM 1169 C LEU B 14 25.996 -13.791 3.419 1.00 17.25 C +ATOM 1170 O LEU B 14 26.440 -13.013 4.127 1.00 15.43 O +ATOM 1171 CB LEU B 14 25.023 -12.816 1.145 1.00 16.82 C +ATOM 1172 CG LEU B 14 25.284 -11.388 1.257 1.00 27.27 C +ATOM 1173 CD1 LEU B 14 26.470 -10.984 0.911 1.00 40.43 C +ATOM 1174 CD2 LEU B 14 23.923 -10.655 1.151 1.00 24.81 C +ATOM 1175 N TRP B 15 24.847 -14.542 3.847 1.00 17.75 N +ATOM 1176 CA TRP B 15 24.543 -14.533 5.293 1.00 20.73 C +ATOM 1177 C TRP B 15 25.779 -15.040 6.144 1.00 17.66 C +ATOM 1178 O TRP B 15 25.791 -14.500 7.295 1.00 18.75 O +ATOM 1179 CB TRP B 15 23.337 -15.255 5.477 1.00 17.11 C +ATOM 1180 CG TRP B 15 22.785 -14.972 6.964 1.00 17.91 C +ATOM 1181 CD1 TRP B 15 22.809 -15.647 8.020 1.00 21.87 C +ATOM 1182 CD2 TRP B 15 21.992 -13.854 7.213 1.00 17.58 C +ATOM 1183 NE1 TRP B 15 22.135 -15.153 9.079 1.00 18.04 N +ATOM 1184 CE2 TRP B 15 21.659 -13.824 8.669 1.00 16.29 C +ATOM 1185 CE3 TRP B 15 21.610 -12.684 6.475 1.00 16.29 C +ATOM 1186 CZ2 TRP B 15 20.847 -12.810 9.252 1.00 25.87 C +ATOM 1187 CZ3 TRP B 15 20.839 -11.689 7.176 1.00 17.96 C +ATOM 1188 CH2 TRP B 15 20.450 -11.898 8.453 1.00 24.12 C +ATOM 1189 N GLY B 16 26.491 -15.885 5.456 1.00 18.59 N +ATOM 1190 CA GLY B 16 27.793 -16.367 6.203 1.00 18.72 C +ATOM 1191 C GLY B 16 28.640 -15.293 6.479 1.00 24.14 C +ATOM 1192 O GLY B 16 29.526 -15.462 7.418 1.00 24.08 O +ATOM 1193 N LYS B 17 28.533 -14.214 5.902 1.00 16.20 N +ATOM 1194 CA LYS B 17 29.341 -13.100 6.055 1.00 17.17 C +ATOM 1195 C LYS B 17 28.732 -12.165 6.877 1.00 17.84 C +ATOM 1196 O LYS B 17 29.459 -11.044 7.345 1.00 23.03 O +ATOM 1197 CB LYS B 17 29.636 -12.212 4.866 1.00 27.63 C +ATOM 1198 CG LYS B 17 30.260 -13.332 3.793 1.00 26.84 C +ATOM 1199 CD LYS B 17 30.681 -12.758 2.663 1.00 36.92 C +ATOM 1200 CE LYS B 17 31.201 -13.748 1.394 1.00 48.09 C +ATOM 1201 NZ LYS B 17 31.749 -12.471 0.760 1.00 51.60 N +ATOM 1202 N VAL B 18 27.632 -12.163 7.561 1.00 19.79 N +ATOM 1203 CA VAL B 18 26.839 -11.228 8.296 1.00 15.59 C +ATOM 1204 C VAL B 18 27.221 -11.355 9.806 1.00 24.20 C +ATOM 1205 O VAL B 18 27.181 -12.396 10.461 1.00 22.49 O +ATOM 1206 CB VAL B 18 25.375 -11.611 8.249 1.00 13.43 C +ATOM 1207 CG1 VAL B 18 24.680 -10.797 9.203 1.00 20.38 C +ATOM 1208 CG2 VAL B 18 25.124 -10.816 6.753 1.00 25.54 C +ATOM 1209 N ASN B 19 27.508 -10.243 10.525 1.00 20.52 N +ATOM 1210 CA ASN B 19 27.647 -10.334 12.056 1.00 15.58 C +ATOM 1211 C ASN B 19 26.161 -10.008 12.553 1.00 13.56 C +ATOM 1212 O ASN B 19 25.706 -8.798 12.411 1.00 14.77 O +ATOM 1213 CB ASN B 19 28.532 -9.065 12.579 1.00 26.08 C +ATOM 1214 CG ASN B 19 28.340 -8.916 14.065 1.00 29.11 C +ATOM 1215 OD1 ASN B 19 27.732 -9.412 14.784 1.00 27.77 O +ATOM 1216 ND2 ASN B 19 29.702 -8.401 14.383 1.00 33.88 N +ATOM 1217 N VAL B 20 25.621 -11.024 13.009 1.00 18.83 N +ATOM 1218 CA VAL B 20 24.087 -11.031 13.284 1.00 19.05 C +ATOM 1219 C VAL B 20 23.851 -10.149 14.214 1.00 20.02 C +ATOM 1220 O VAL B 20 22.901 -9.142 14.245 1.00 17.50 O +ATOM 1221 CB VAL B 20 23.694 -12.517 13.598 1.00 25.16 C +ATOM 1222 CG1 VAL B 20 22.215 -12.356 13.912 1.00 29.32 C +ATOM 1223 CG2 VAL B 20 23.748 -13.338 12.333 1.00 21.26 C +ATOM 1224 N ASP B 21 24.547 -9.725 15.239 1.00 19.64 N +ATOM 1225 CA ASP B 21 24.274 -8.816 16.395 1.00 20.67 C +ATOM 1226 C ASP B 21 24.562 -7.492 15.870 1.00 18.97 C +ATOM 1227 O ASP B 21 23.606 -6.622 16.080 1.00 21.29 O +ATOM 1228 CB ASP B 21 25.312 -9.108 17.415 1.00 34.10 C +ATOM 1229 CG ASP B 21 25.029 -10.570 18.492 1.00 53.28 C +ATOM 1230 OD1 ASP B 21 23.848 -10.805 18.323 1.00 40.86 O +ATOM 1231 OD2 ASP B 21 25.861 -10.240 19.644 1.00 50.69 O +ATOM 1232 N GLU B 22 25.464 -7.225 14.999 1.00 17.77 N +ATOM 1233 CA GLU B 22 25.739 -5.702 14.538 1.00 21.32 C +ATOM 1234 C GLU B 22 24.523 -5.287 13.546 1.00 17.53 C +ATOM 1235 O GLU B 22 23.957 -4.290 13.703 1.00 21.51 O +ATOM 1236 CB GLU B 22 27.018 -5.846 13.812 1.00 24.38 C +ATOM 1237 CG GLU B 22 27.214 -4.730 13.144 1.00 38.60 C +ATOM 1238 CD GLU B 22 28.169 -3.862 11.812 1.00 75.75 C +ATOM 1239 OE1 GLU B 22 28.555 -5.400 11.034 1.00 53.89 O +ATOM 1240 OE2 GLU B 22 29.808 -4.745 12.821 1.00 65.14 O +ATOM 1241 N VAL B 23 24.347 -6.274 12.578 1.00 19.15 N +ATOM 1242 CA VAL B 23 23.303 -6.039 11.518 1.00 16.52 C +ATOM 1243 C VAL B 23 21.857 -5.985 12.342 1.00 19.25 C +ATOM 1244 O VAL B 23 20.964 -5.128 11.822 1.00 16.10 O +ATOM 1245 CB VAL B 23 23.294 -7.123 10.403 1.00 21.83 C +ATOM 1246 CG1 VAL B 23 22.065 -7.019 9.672 1.00 26.98 C +ATOM 1247 CG2 VAL B 23 24.689 -6.722 9.825 1.00 24.14 C +ATOM 1248 N GLY B 24 21.684 -6.753 13.284 1.00 11.83 N +ATOM 1249 CA GLY B 24 20.512 -6.666 14.003 1.00 15.96 C +ATOM 1250 C GLY B 24 20.131 -5.391 14.689 1.00 15.32 C +ATOM 1251 O GLY B 24 19.133 -4.694 14.628 1.00 13.59 O +ATOM 1252 N GLY B 25 21.093 -4.853 15.395 1.00 19.52 N +ATOM 1253 CA GLY B 25 21.202 -3.549 15.972 1.00 15.79 C +ATOM 1254 C GLY B 25 20.921 -2.401 14.917 1.00 12.82 C +ATOM 1255 O GLY B 25 20.200 -1.481 15.135 1.00 18.05 O +ATOM 1256 N GLU B 26 21.598 -2.510 13.849 1.00 12.16 N +ATOM 1257 CA GLU B 26 21.567 -1.493 12.736 1.00 11.32 C +ATOM 1258 C GLU B 26 20.042 -1.534 12.176 1.00 13.79 C +ATOM 1259 O GLU B 26 19.605 -0.362 11.944 1.00 14.59 O +ATOM 1260 CB GLU B 26 22.564 -1.757 11.778 1.00 13.18 C +ATOM 1261 CG GLU B 26 23.022 -0.301 10.974 1.00 29.90 C +ATOM 1262 CD GLU B 26 23.535 0.894 10.508 1.00 51.34 C +ATOM 1263 OE1 GLU B 26 23.767 -0.209 7.916 1.00 54.93 O +ATOM 1264 OE2 GLU B 26 24.549 -1.302 10.298 1.00 37.93 O +ATOM 1265 N ALA B 27 19.659 -2.698 11.904 1.00 13.14 N +ATOM 1266 CA ALA B 27 18.339 -2.622 11.197 1.00 9.05 C +ATOM 1267 C ALA B 27 17.188 -2.188 12.064 1.00 10.83 C +ATOM 1268 O ALA B 27 16.247 -1.538 11.698 1.00 11.12 O +ATOM 1269 CB ALA B 27 18.124 -4.039 10.850 1.00 14.07 C +ATOM 1270 N LEU B 28 17.097 -2.654 13.364 1.00 11.19 N +ATOM 1271 CA LEU B 28 16.289 -2.225 14.403 1.00 14.47 C +ATOM 1272 C LEU B 28 16.216 -0.842 14.498 1.00 12.13 C +ATOM 1273 O LEU B 28 15.292 -0.024 14.599 1.00 12.32 O +ATOM 1274 CB LEU B 28 16.089 -3.101 15.599 1.00 9.21 C +ATOM 1275 CG LEU B 28 14.602 -2.613 16.344 1.00 20.67 C +ATOM 1276 CD1 LEU B 28 13.558 -3.287 15.723 1.00 17.60 C +ATOM 1277 CD2 LEU B 28 15.036 -3.349 17.556 1.00 34.99 C +ATOM 1278 N GLY B 29 17.488 -0.244 14.733 1.00 10.00 N +ATOM 1279 CA GLY B 29 17.555 1.107 14.942 1.00 15.27 C +ATOM 1280 C GLY B 29 17.147 1.979 13.686 1.00 10.88 C +ATOM 1281 O GLY B 29 16.406 2.945 13.855 1.00 14.42 O +ATOM 1282 N ARG B 30 17.503 1.503 12.514 1.00 11.39 N +ATOM 1283 CA ARG B 30 17.138 2.392 11.410 1.00 14.49 C +ATOM 1284 C ARG B 30 15.517 2.168 11.180 1.00 10.79 C +ATOM 1285 O ARG B 30 14.997 3.218 10.749 1.00 13.81 O +ATOM 1286 CB ARG B 30 17.883 1.854 10.134 1.00 19.88 C +ATOM 1287 CG ARG B 30 19.264 2.550 9.848 1.00 16.11 C +ATOM 1288 CD ARG B 30 19.816 1.919 8.615 1.00 14.71 C +ATOM 1289 NE ARG B 30 21.229 2.190 8.567 1.00 21.05 N +ATOM 1290 CZ ARG B 30 21.899 3.048 7.943 1.00 18.56 C +ATOM 1291 NH1 ARG B 30 21.169 3.859 7.078 1.00 19.13 N +ATOM 1292 NH2 ARG B 30 23.126 3.441 7.930 1.00 19.91 N +ATOM 1293 N LEU B 31 14.954 1.034 11.546 1.00 12.04 N +ATOM 1294 CA LEU B 31 13.557 0.954 11.581 1.00 10.54 C +ATOM 1295 C LEU B 31 13.079 2.129 12.312 1.00 13.93 C +ATOM 1296 O LEU B 31 12.053 2.837 11.993 1.00 14.67 O +ATOM 1297 CB LEU B 31 12.999 -0.394 11.933 1.00 12.99 C +ATOM 1298 CG LEU B 31 11.476 -0.524 12.150 1.00 10.97 C +ATOM 1299 CD1 LEU B 31 11.036 -0.535 10.722 1.00 19.46 C +ATOM 1300 CD2 LEU B 31 11.106 -1.700 13.040 1.00 13.98 C +ATOM 1301 N LEU B 32 13.531 2.329 13.530 1.00 10.13 N +ATOM 1302 CA LEU B 32 12.882 3.156 14.401 1.00 11.52 C +ATOM 1303 C LEU B 32 13.149 4.616 14.057 1.00 12.11 C +ATOM 1304 O LEU B 32 12.467 5.633 14.438 1.00 15.31 O +ATOM 1305 CB LEU B 32 13.453 3.038 15.919 1.00 11.75 C +ATOM 1306 CG LEU B 32 12.805 1.940 16.581 1.00 16.68 C +ATOM 1307 CD1 LEU B 32 12.104 0.941 16.260 1.00 22.26 C +ATOM 1308 CD2 LEU B 32 13.566 1.603 17.835 1.00 28.90 C +ATOM 1309 N VAL B 33 14.250 4.899 13.351 1.00 10.32 N +ATOM 1310 CA VAL B 33 14.628 6.174 12.868 1.00 11.98 C +ATOM 1311 C VAL B 33 13.704 6.548 11.535 1.00 12.10 C +ATOM 1312 O VAL B 33 13.345 7.771 11.481 1.00 13.28 O +ATOM 1313 CB VAL B 33 16.139 6.304 12.522 1.00 14.87 C +ATOM 1314 CG1 VAL B 33 16.518 7.591 11.880 1.00 11.54 C +ATOM 1315 CG2 VAL B 33 16.745 6.275 13.788 1.00 16.57 C +ATOM 1316 N VAL B 34 13.820 5.650 10.638 1.00 13.66 N +ATOM 1317 CA VAL B 34 13.156 6.096 9.258 1.00 9.59 C +ATOM 1318 C VAL B 34 11.591 6.042 9.368 1.00 8.72 C +ATOM 1319 O VAL B 34 11.052 6.910 8.763 1.00 9.42 O +ATOM 1320 CB VAL B 34 13.681 5.042 8.326 1.00 9.09 C +ATOM 1321 CG1 VAL B 34 13.079 5.328 6.958 1.00 9.82 C +ATOM 1322 CG2 VAL B 34 15.076 5.133 8.253 1.00 17.00 C +ATOM 1323 N TYR B 35 11.088 5.155 10.260 1.00 10.80 N +ATOM 1324 CA TYR B 35 9.613 5.019 10.405 1.00 13.73 C +ATOM 1325 C TYR B 35 9.249 5.241 11.959 1.00 14.87 C +ATOM 1326 O TYR B 35 9.056 4.156 12.514 1.00 16.30 O +ATOM 1327 CB TYR B 35 9.162 3.628 9.962 1.00 14.97 C +ATOM 1328 CG TYR B 35 9.590 3.397 8.554 1.00 16.57 C +ATOM 1329 CD1 TYR B 35 9.059 4.138 7.400 1.00 17.11 C +ATOM 1330 CD2 TYR B 35 10.495 2.446 8.096 1.00 21.02 C +ATOM 1331 CE1 TYR B 35 9.473 3.862 6.085 1.00 16.53 C +ATOM 1332 CE2 TYR B 35 10.987 2.455 6.905 1.00 21.07 C +ATOM 1333 CZ TYR B 35 10.434 2.948 5.860 1.00 16.91 C +ATOM 1334 OH TYR B 35 11.073 2.851 4.537 1.00 21.07 O +ATOM 1335 N PRO B 36 9.337 6.384 12.381 1.00 18.32 N +ATOM 1336 CA PRO B 36 9.299 6.665 13.797 1.00 15.72 C +ATOM 1337 C PRO B 36 8.010 6.232 14.403 1.00 27.07 C +ATOM 1338 O PRO B 36 8.028 5.977 15.694 1.00 15.67 O +ATOM 1339 CB PRO B 36 9.448 8.143 14.056 1.00 16.26 C +ATOM 1340 CG PRO B 36 9.504 8.813 12.839 1.00 21.27 C +ATOM 1341 CD PRO B 36 9.498 7.681 11.841 1.00 25.93 C +ATOM 1342 N TRP B 37 6.917 5.884 13.840 1.00 14.10 N +ATOM 1343 CA TRP B 37 5.821 5.395 14.601 1.00 12.74 C +ATOM 1344 C TRP B 37 5.965 3.976 15.036 1.00 15.06 C +ATOM 1345 O TRP B 37 5.268 3.465 15.926 1.00 15.27 O +ATOM 1346 CB TRP B 37 4.670 5.475 13.490 1.00 19.41 C +ATOM 1347 CG TRP B 37 4.766 4.831 12.253 1.00 14.79 C +ATOM 1348 CD1 TRP B 37 4.298 3.513 11.774 1.00 18.82 C +ATOM 1349 CD2 TRP B 37 5.265 5.442 10.984 1.00 18.23 C +ATOM 1350 NE1 TRP B 37 4.669 3.435 10.535 1.00 23.72 N +ATOM 1351 CE2 TRP B 37 5.184 4.400 9.923 1.00 22.13 C +ATOM 1352 CE3 TRP B 37 5.947 6.691 10.672 1.00 21.52 C +ATOM 1353 CZ2 TRP B 37 5.584 4.556 8.589 1.00 18.19 C +ATOM 1354 CZ3 TRP B 37 6.183 6.773 9.398 1.00 31.71 C +ATOM 1355 CH2 TRP B 37 6.069 5.844 8.520 1.00 14.12 C +ATOM 1356 N THR B 38 7.039 3.221 14.646 1.00 14.17 N +ATOM 1357 CA THR B 38 7.466 1.912 14.979 1.00 13.46 C +ATOM 1358 C THR B 38 7.760 1.960 16.519 1.00 16.65 C +ATOM 1359 O THR B 38 8.073 0.918 17.118 1.00 18.86 O +ATOM 1360 CB THR B 38 8.456 1.107 14.212 1.00 12.74 C +ATOM 1361 OG1 THR B 38 9.507 1.962 14.105 1.00 14.09 O +ATOM 1362 CG2 THR B 38 7.863 1.128 12.798 1.00 15.42 C +ATOM 1363 N GLN B 39 8.203 3.108 16.922 1.00 19.91 N +ATOM 1364 CA GLN B 39 8.656 3.567 18.379 1.00 23.22 C +ATOM 1365 C GLN B 39 7.604 3.201 19.358 1.00 19.19 C +ATOM 1366 O GLN B 39 7.968 2.987 20.495 1.00 19.29 O +ATOM 1367 CB GLN B 39 9.277 4.878 18.529 1.00 24.35 C +ATOM 1368 CG GLN B 39 10.405 5.137 17.759 1.00 25.27 C +ATOM 1369 CD GLN B 39 10.983 6.633 17.918 1.00 24.35 C +ATOM 1370 OE1 GLN B 39 10.480 7.189 18.922 1.00 26.75 O +ATOM 1371 NE2 GLN B 39 11.852 7.006 16.956 1.00 30.18 N +ATOM 1372 N ARG B 40 6.347 3.079 18.900 1.00 20.02 N +ATOM 1373 CA ARG B 40 5.184 2.850 19.816 1.00 21.80 C +ATOM 1374 C ARG B 40 5.511 1.455 20.630 1.00 29.36 C +ATOM 1375 O ARG B 40 4.888 1.619 21.749 1.00 24.42 O +ATOM 1376 CB ARG B 40 3.944 2.700 18.938 1.00 16.52 C +ATOM 1377 CG ARG B 40 3.694 1.420 18.404 1.00 20.34 C +ATOM 1378 CD ARG B 40 2.451 1.519 17.302 1.00 25.31 C +ATOM 1379 NE ARG B 40 1.370 1.856 17.810 1.00 29.70 N +ATOM 1380 CZ ARG B 40 0.400 1.022 18.648 1.00 34.46 C +ATOM 1381 NH1 ARG B 40 0.678 -0.097 18.556 1.00 31.34 N +ATOM 1382 NH2 ARG B 40 -0.783 2.010 18.877 1.00 39.12 N +ATOM 1383 N PHE B 41 6.149 0.541 20.453 1.00 19.21 N +ATOM 1384 CA PHE B 41 6.133 -0.730 21.151 1.00 16.53 C +ATOM 1385 C PHE B 41 7.442 -0.621 22.343 1.00 21.34 C +ATOM 1386 O PHE B 41 7.412 -1.538 22.897 1.00 23.45 O +ATOM 1387 CB PHE B 41 6.675 -1.804 20.080 1.00 10.39 C +ATOM 1388 CG PHE B 41 5.553 -1.984 19.152 1.00 13.84 C +ATOM 1389 CD1 PHE B 41 5.763 -1.448 17.828 1.00 17.38 C +ATOM 1390 CD2 PHE B 41 4.239 -2.655 19.578 1.00 25.55 C +ATOM 1391 CE1 PHE B 41 4.713 -1.720 16.922 1.00 15.72 C +ATOM 1392 CE2 PHE B 41 3.272 -2.680 18.459 1.00 21.40 C +ATOM 1393 CZ PHE B 41 3.586 -2.146 17.207 1.00 13.46 C +ATOM 1394 N PHE B 42 8.072 0.397 22.159 1.00 18.41 N +ATOM 1395 CA PHE B 42 9.433 0.476 22.639 1.00 17.88 C +ATOM 1396 C PHE B 42 9.683 1.552 23.631 1.00 26.28 C +ATOM 1397 O PHE B 42 10.712 1.963 24.025 1.00 30.16 O +ATOM 1398 CB PHE B 42 10.561 0.553 21.602 1.00 16.57 C +ATOM 1399 CG PHE B 42 10.524 -0.621 20.906 1.00 18.87 C +ATOM 1400 CD1 PHE B 42 10.208 -0.431 19.261 1.00 17.08 C +ATOM 1401 CD2 PHE B 42 10.804 -1.937 21.065 1.00 17.75 C +ATOM 1402 CE1 PHE B 42 10.137 -1.716 18.672 1.00 12.34 C +ATOM 1403 CE2 PHE B 42 10.625 -2.998 20.314 1.00 16.32 C +ATOM 1404 CZ PHE B 42 10.370 -2.870 18.826 1.00 14.29 C +ATOM 1405 N GLU B 43 8.703 2.022 24.176 1.00 32.94 N +ATOM 1406 CA GLU B 43 9.021 3.274 25.060 1.00 42.17 C +ATOM 1407 C GLU B 43 9.315 2.924 26.617 1.00 21.09 C +ATOM 1408 O GLU B 43 10.204 3.362 27.291 1.00 37.55 O +ATOM 1409 CB GLU B 43 7.798 3.586 25.059 1.00 73.91 C +ATOM 1410 CG GLU B 43 6.528 3.291 25.915 1.00 61.81 C +ATOM 1411 CD GLU B 43 4.777 4.930 25.558 1.00 78.77 C +ATOM 1412 OE1 GLU B 43 5.276 5.543 25.252 1.00 63.33 O +ATOM 1413 OE2 GLU B 43 4.274 3.783 26.403 1.00 59.41 O +ATOM 1414 N SER B 44 9.424 1.477 26.805 1.00 22.68 N +ATOM 1415 CA SER B 44 10.261 0.951 28.039 1.00 28.45 C +ATOM 1416 C SER B 44 11.527 1.680 27.935 1.00 36.10 C +ATOM 1417 O SER B 44 12.578 0.776 28.511 1.00 25.24 O +ATOM 1418 CB SER B 44 9.957 -0.409 28.119 1.00 27.61 C +ATOM 1419 OG SER B 44 10.204 -1.503 27.766 1.00 37.26 O +ATOM 1420 N PHE B 45 12.292 1.349 26.626 1.00 28.36 N +ATOM 1421 CA PHE B 45 13.648 1.329 26.186 1.00 25.47 C +ATOM 1422 C PHE B 45 14.197 2.590 26.508 1.00 26.28 C +ATOM 1423 O PHE B 45 15.451 2.670 26.190 1.00 31.39 O +ATOM 1424 CB PHE B 45 13.618 0.947 24.623 1.00 22.10 C +ATOM 1425 CG PHE B 45 13.541 -0.652 24.249 1.00 18.85 C +ATOM 1426 CD1 PHE B 45 13.939 -0.880 22.983 1.00 29.27 C +ATOM 1427 CD2 PHE B 45 12.982 -1.450 24.626 1.00 31.57 C +ATOM 1428 CE1 PHE B 45 13.682 -2.441 22.618 1.00 29.02 C +ATOM 1429 CE2 PHE B 45 12.642 -2.810 24.625 1.00 30.34 C +ATOM 1430 CZ PHE B 45 13.202 -2.999 23.312 1.00 36.33 C +ATOM 1431 N GLY B 46 13.772 3.730 26.937 1.00 39.28 N +ATOM 1432 CA GLY B 46 14.529 4.785 27.301 1.00 46.90 C +ATOM 1433 C GLY B 46 14.720 5.977 26.137 1.00 45.06 C +ATOM 1434 O GLY B 46 13.492 6.152 25.410 1.00 36.42 O +ATOM 1435 N ASP B 47 15.717 6.365 26.037 1.00 38.00 N +ATOM 1436 CA ASP B 47 15.729 7.801 25.184 1.00 38.15 C +ATOM 1437 C ASP B 47 16.096 7.362 23.534 1.00 25.86 C +ATOM 1438 O ASP B 47 16.860 6.380 23.281 1.00 25.46 O +ATOM 1439 CB ASP B 47 17.237 8.136 25.516 1.00 44.07 C +ATOM 1440 CG ASP B 47 17.345 9.494 25.209 1.00 52.06 C +ATOM 1441 OD1 ASP B 47 18.506 10.069 24.917 1.00 44.54 O +ATOM 1442 OD2 ASP B 47 16.192 10.248 24.076 1.00 35.33 O +ATOM 1443 N LEU B 48 14.758 7.696 22.981 1.00 25.27 N +ATOM 1444 CA LEU B 48 14.475 7.473 21.435 1.00 28.75 C +ATOM 1445 C LEU B 48 14.468 8.903 20.740 1.00 27.19 C +ATOM 1446 O LEU B 48 13.953 8.921 19.724 1.00 27.20 O +ATOM 1447 CB LEU B 48 13.484 6.505 21.317 1.00 23.96 C +ATOM 1448 CG LEU B 48 13.754 5.148 21.718 1.00 24.35 C +ATOM 1449 CD1 LEU B 48 12.414 4.237 21.541 1.00 34.74 C +ATOM 1450 CD2 LEU B 48 14.775 4.377 21.408 1.00 34.58 C +ATOM 1451 N SER B 49 15.103 9.812 21.342 1.00 41.94 N +ATOM 1452 CA SER B 49 14.421 11.168 20.634 1.00 46.28 C +ATOM 1453 C SER B 49 15.582 11.613 20.219 1.00 38.86 C +ATOM 1454 O SER B 49 14.817 12.605 18.942 1.00 41.94 O +ATOM 1455 CB SER B 49 14.717 12.244 22.089 1.00 37.98 C +ATOM 1456 OG SER B 49 16.403 12.088 22.302 1.00 37.71 O +ATOM 1457 N THR B 50 16.507 11.264 19.343 1.00 28.29 N +ATOM 1458 CA THR B 50 17.236 11.360 18.289 1.00 30.77 C +ATOM 1459 C THR B 50 17.885 10.175 17.455 1.00 28.12 C +ATOM 1460 O THR B 50 17.899 9.107 18.221 1.00 25.38 O +ATOM 1461 CB THR B 50 18.076 12.160 18.824 1.00 33.39 C +ATOM 1462 OG1 THR B 50 19.415 11.795 19.160 1.00 37.96 O +ATOM 1463 CG2 THR B 50 18.083 13.812 19.397 1.00 29.64 C +ATOM 1464 N PRO B 51 18.477 10.443 16.283 1.00 28.96 N +ATOM 1465 CA PRO B 51 18.840 9.268 15.580 1.00 22.25 C +ATOM 1466 C PRO B 51 20.003 8.659 16.259 1.00 19.80 C +ATOM 1467 O PRO B 51 20.229 7.322 16.651 1.00 21.55 O +ATOM 1468 CB PRO B 51 19.279 9.752 14.257 1.00 27.29 C +ATOM 1469 CG PRO B 51 18.236 10.849 14.019 1.00 23.54 C +ATOM 1470 CD PRO B 51 18.120 11.592 15.204 1.00 26.04 C +ATOM 1471 N ASP B 52 20.955 9.490 16.887 1.00 21.99 N +ATOM 1472 CA ASP B 52 22.107 9.063 17.596 1.00 20.50 C +ATOM 1473 C ASP B 52 21.711 8.282 18.816 1.00 16.32 C +ATOM 1474 O ASP B 52 22.264 7.261 19.307 1.00 25.55 O +ATOM 1475 CB ASP B 52 22.971 10.246 17.966 1.00 32.17 C +ATOM 1476 CG ASP B 52 24.234 10.367 16.728 1.00 47.24 C +ATOM 1477 OD1 ASP B 52 24.140 9.731 15.886 1.00 41.78 O +ATOM 1478 OD2 ASP B 52 24.041 11.689 16.359 1.00 62.08 O +ATOM 1479 N ALA B 53 20.654 8.843 19.515 1.00 23.18 N +ATOM 1480 CA ALA B 53 20.143 8.181 20.776 1.00 24.60 C +ATOM 1481 C ALA B 53 19.728 6.737 20.669 1.00 20.91 C +ATOM 1482 O ALA B 53 19.736 5.693 21.187 1.00 20.19 O +ATOM 1483 CB ALA B 53 19.176 8.937 21.371 1.00 23.45 C +ATOM 1484 N VAL B 54 18.925 6.610 19.428 1.00 19.02 N +ATOM 1485 CA VAL B 54 18.396 5.367 18.970 1.00 17.30 C +ATOM 1486 C VAL B 54 19.363 4.542 18.660 1.00 15.03 C +ATOM 1487 O VAL B 54 19.429 3.266 19.120 1.00 19.06 O +ATOM 1488 CB VAL B 54 17.268 5.613 17.733 1.00 27.63 C +ATOM 1489 CG1 VAL B 54 17.019 4.214 17.213 1.00 22.46 C +ATOM 1490 CG2 VAL B 54 16.224 6.564 17.992 1.00 27.27 C +ATOM 1491 N MET B 55 20.370 4.888 17.834 1.00 21.73 N +ATOM 1492 CA MET B 55 21.262 3.920 17.351 1.00 17.86 C +ATOM 1493 C MET B 55 22.215 3.437 18.454 1.00 32.16 C +ATOM 1494 O MET B 55 22.701 2.355 18.174 1.00 26.15 O +ATOM 1495 CB MET B 55 22.167 4.509 16.152 1.00 19.12 C +ATOM 1496 CG MET B 55 21.367 4.924 14.914 1.00 18.10 C +ATOM 1497 SD MET B 55 20.328 3.573 14.221 1.00 21.28 S +ATOM 1498 CE MET B 55 21.373 2.471 13.659 1.00 20.66 C +ATOM 1499 N GLY B 56 22.406 4.339 19.361 1.00 24.42 N +ATOM 1500 CA GLY B 56 23.329 3.841 20.456 1.00 36.79 C +ATOM 1501 C GLY B 56 22.514 3.565 21.746 1.00 33.28 C +ATOM 1502 O GLY B 56 23.093 2.903 22.699 1.00 24.94 O +ATOM 1503 N ASN B 57 21.348 2.997 21.778 1.00 22.01 N +ATOM 1504 CA ASN B 57 20.559 2.685 22.827 1.00 15.71 C +ATOM 1505 C ASN B 57 20.755 1.267 22.976 1.00 17.88 C +ATOM 1506 O ASN B 57 20.502 0.300 22.098 1.00 18.04 O +ATOM 1507 CB ASN B 57 19.144 2.920 22.701 1.00 21.80 C +ATOM 1508 CG ASN B 57 18.247 2.358 23.776 1.00 18.78 C +ATOM 1509 OD1 ASN B 57 18.261 1.376 24.212 1.00 23.41 O +ATOM 1510 ND2 ASN B 57 17.583 3.338 24.270 1.00 26.53 N +ATOM 1511 N PRO B 58 21.174 0.662 24.086 1.00 24.81 N +ATOM 1512 CA PRO B 58 21.379 -0.699 24.384 1.00 24.38 C +ATOM 1513 C PRO B 58 20.320 -1.707 24.238 1.00 16.45 C +ATOM 1514 O PRO B 58 20.621 -2.865 23.942 1.00 22.03 O +ATOM 1515 CB PRO B 58 22.199 -0.585 25.810 1.00 41.00 C +ATOM 1516 CG PRO B 58 21.985 0.546 26.007 1.00 36.46 C +ATOM 1517 CD PRO B 58 21.572 1.751 25.438 1.00 41.75 C +ATOM 1518 N LYS B 59 19.129 -1.092 24.601 1.00 16.03 N +ATOM 1519 CA LYS B 59 17.877 -2.002 24.599 1.00 22.04 C +ATOM 1520 C LYS B 59 17.389 -2.185 23.113 1.00 13.98 C +ATOM 1521 O LYS B 59 17.132 -3.370 22.712 1.00 15.67 O +ATOM 1522 CB LYS B 59 16.893 -1.439 25.346 1.00 22.22 C +ATOM 1523 CG LYS B 59 17.003 -1.840 26.817 1.00 45.70 C +ATOM 1524 CD LYS B 59 17.133 -0.988 27.329 1.00 44.05 C +ATOM 1525 CE LYS B 59 17.311 -2.126 29.392 1.00 71.22 C +ATOM 1526 NZ LYS B 59 16.304 -0.516 29.672 1.00 61.54 N +ATOM 1527 N VAL B 60 17.762 -1.228 22.435 1.00 17.28 N +ATOM 1528 CA VAL B 60 17.489 -1.267 20.987 1.00 18.21 C +ATOM 1529 C VAL B 60 18.198 -2.383 20.467 1.00 17.60 C +ATOM 1530 O VAL B 60 18.065 -3.331 19.597 1.00 19.11 O +ATOM 1531 CB VAL B 60 17.415 0.000 20.196 1.00 19.15 C +ATOM 1532 CG1 VAL B 60 17.700 -0.242 18.743 1.00 20.44 C +ATOM 1533 CG2 VAL B 60 16.452 0.957 20.699 1.00 20.64 C +ATOM 1534 N LYS B 61 19.612 -2.162 20.575 1.00 16.19 N +ATOM 1535 CA LYS B 61 20.529 -3.146 20.062 1.00 15.00 C +ATOM 1536 C LYS B 61 20.399 -4.610 20.622 1.00 17.90 C +ATOM 1537 O LYS B 61 20.213 -5.649 19.890 1.00 20.52 O +ATOM 1538 CB LYS B 61 21.934 -2.794 20.686 1.00 23.50 C +ATOM 1539 CG LYS B 61 22.389 -1.790 20.123 1.00 34.21 C +ATOM 1540 CD LYS B 61 23.914 -1.121 21.095 1.00 48.05 C +ATOM 1541 CE LYS B 61 24.659 -0.514 19.697 1.00 65.12 C +ATOM 1542 NZ LYS B 61 25.928 0.153 20.694 1.00 66.26 N +ATOM 1543 N ALA B 62 19.935 -4.789 21.817 1.00 18.99 N +ATOM 1544 CA ALA B 62 19.613 -6.179 22.281 1.00 20.11 C +ATOM 1545 C ALA B 62 18.327 -6.740 21.532 1.00 23.44 C +ATOM 1546 O ALA B 62 18.260 -7.852 21.400 1.00 21.26 O +ATOM 1547 CB ALA B 62 19.287 -6.023 23.792 1.00 28.90 C +ATOM 1548 N HIS B 63 17.361 -5.800 21.608 1.00 20.40 N +ATOM 1549 CA HIS B 63 16.190 -6.291 20.805 1.00 18.39 C +ATOM 1550 C HIS B 63 16.516 -6.639 19.256 1.00 14.88 C +ATOM 1551 O HIS B 63 16.111 -7.828 18.863 1.00 18.29 O +ATOM 1552 CB HIS B 63 15.116 -5.410 20.859 1.00 22.46 C +ATOM 1553 CG HIS B 63 13.751 -5.776 20.554 1.00 25.19 C +ATOM 1554 ND1 HIS B 63 13.281 -7.248 21.117 1.00 24.68 N +ATOM 1555 CD2 HIS B 63 13.005 -5.716 19.310 1.00 20.46 C +ATOM 1556 CE1 HIS B 63 11.969 -7.447 20.274 1.00 21.48 C +ATOM 1557 NE2 HIS B 63 11.891 -6.627 19.400 1.00 20.00 N +ATOM 1558 N GLY B 64 17.369 -5.912 18.807 1.00 15.81 N +ATOM 1559 CA GLY B 64 17.753 -6.266 17.372 1.00 16.57 C +ATOM 1560 C GLY B 64 18.356 -7.523 17.041 1.00 14.05 C +ATOM 1561 O GLY B 64 18.321 -8.353 16.306 1.00 17.38 O +ATOM 1562 N LYS B 65 19.222 -7.845 18.080 1.00 15.77 N +ATOM 1563 CA LYS B 65 19.749 -9.096 18.187 1.00 17.79 C +ATOM 1564 C LYS B 65 18.945 -10.321 18.319 1.00 18.32 C +ATOM 1565 O LYS B 65 19.205 -11.332 17.796 1.00 19.33 O +ATOM 1566 CB LYS B 65 21.117 -9.195 19.352 1.00 34.65 C +ATOM 1567 CG LYS B 65 20.823 -9.337 19.828 1.00 64.04 C +ATOM 1568 CD LYS B 65 22.866 -9.404 21.254 1.00 58.77 C +ATOM 1569 CE LYS B 65 21.591 -11.376 21.213 1.00 64.47 C +ATOM 1570 NZ LYS B 65 22.762 -11.190 23.512 1.00 67.19 N +ATOM 1571 N LYS B 66 17.979 -10.126 19.094 1.00 17.45 N +ATOM 1572 CA LYS B 66 17.297 -11.071 19.293 1.00 20.10 C +ATOM 1573 C LYS B 66 16.171 -11.403 18.033 1.00 21.06 C +ATOM 1574 O LYS B 66 15.915 -12.596 17.725 1.00 17.84 O +ATOM 1575 CB LYS B 66 16.183 -10.827 20.504 1.00 22.19 C +ATOM 1576 CG LYS B 66 15.115 -11.668 20.860 1.00 40.97 C +ATOM 1577 CD LYS B 66 14.348 -11.289 22.165 1.00 49.22 C +ATOM 1578 CE LYS B 66 14.883 -13.426 23.031 1.00 72.58 C +ATOM 1579 NZ LYS B 66 13.505 -13.329 24.195 1.00 70.66 N +ATOM 1580 N VAL B 67 15.722 -10.213 17.591 1.00 16.93 N +ATOM 1581 CA VAL B 67 14.967 -10.430 16.204 1.00 19.22 C +ATOM 1582 C VAL B 67 15.793 -10.926 15.110 1.00 11.08 C +ATOM 1583 O VAL B 67 15.419 -12.032 14.481 1.00 14.57 O +ATOM 1584 CB VAL B 67 14.239 -9.056 15.913 1.00 21.56 C +ATOM 1585 CG1 VAL B 67 13.929 -8.835 14.427 1.00 18.58 C +ATOM 1586 CG2 VAL B 67 13.400 -8.550 17.010 1.00 21.34 C +ATOM 1587 N LEU B 68 16.954 -10.461 14.916 1.00 11.62 N +ATOM 1588 CA LEU B 68 17.765 -11.045 13.835 1.00 15.23 C +ATOM 1589 C LEU B 68 18.198 -12.546 14.030 1.00 13.22 C +ATOM 1590 O LEU B 68 18.576 -13.320 13.014 1.00 14.49 O +ATOM 1591 CB LEU B 68 18.788 -10.157 13.424 1.00 22.80 C +ATOM 1592 CG LEU B 68 18.947 -9.620 11.990 1.00 26.57 C +ATOM 1593 CD1 LEU B 68 20.192 -10.323 11.868 1.00 62.38 C +ATOM 1594 CD2 LEU B 68 17.922 -9.301 11.306 1.00 35.30 C +ATOM 1595 N GLY B 69 18.512 -12.954 15.230 1.00 14.77 N +ATOM 1596 CA GLY B 69 18.843 -14.169 15.499 1.00 20.29 C +ATOM 1597 C GLY B 69 17.847 -15.440 15.178 1.00 17.59 C +ATOM 1598 O GLY B 69 17.982 -16.324 14.534 1.00 19.02 O +ATOM 1599 N ALA B 70 16.471 -14.870 15.541 1.00 19.76 N +ATOM 1600 CA ALA B 70 15.432 -15.582 15.055 1.00 20.35 C +ATOM 1601 C ALA B 70 15.296 -15.691 13.506 1.00 16.36 C +ATOM 1602 O ALA B 70 14.996 -16.706 12.805 1.00 18.12 O +ATOM 1603 CB ALA B 70 14.137 -15.174 15.556 1.00 18.92 C +ATOM 1604 N PHE B 71 15.441 -14.520 12.868 1.00 14.47 N +ATOM 1605 CA PHE B 71 15.473 -14.523 11.393 1.00 18.37 C +ATOM 1606 C PHE B 71 16.681 -15.484 10.885 1.00 23.80 C +ATOM 1607 O PHE B 71 16.324 -16.238 10.064 1.00 20.23 O +ATOM 1608 CB PHE B 71 15.760 -13.050 11.104 1.00 13.73 C +ATOM 1609 CG PHE B 71 15.796 -12.885 9.606 1.00 18.08 C +ATOM 1610 CD1 PHE B 71 14.729 -12.558 8.930 1.00 25.10 C +ATOM 1611 CD2 PHE B 71 17.072 -12.967 8.830 1.00 17.17 C +ATOM 1612 CE1 PHE B 71 14.623 -12.282 7.460 1.00 19.10 C +ATOM 1613 CE2 PHE B 71 16.901 -12.741 7.550 1.00 22.20 C +ATOM 1614 CZ PHE B 71 15.701 -12.364 6.812 1.00 12.94 C +ATOM 1615 N SER B 72 17.595 -15.502 11.393 1.00 20.10 N +ATOM 1616 CA SER B 72 18.969 -16.288 11.125 1.00 20.52 C +ATOM 1617 C SER B 72 18.446 -17.702 11.027 1.00 24.58 C +ATOM 1618 O SER B 72 18.709 -18.593 10.064 1.00 22.06 O +ATOM 1619 CB SER B 72 20.232 -15.732 11.864 1.00 15.28 C +ATOM 1620 OG SER B 72 21.400 -16.267 11.544 1.00 25.10 O +ATOM 1621 N ASP B 73 17.933 -17.999 12.102 1.00 27.59 N +ATOM 1622 CA ASP B 73 17.456 -19.508 12.282 1.00 37.45 C +ATOM 1623 C ASP B 73 16.631 -19.746 11.447 1.00 25.08 C +ATOM 1624 O ASP B 73 16.306 -20.962 10.848 1.00 31.64 O +ATOM 1625 CB ASP B 73 17.022 -19.613 13.914 1.00 36.32 C +ATOM 1626 CG ASP B 73 18.407 -19.595 14.926 1.00 45.09 C +ATOM 1627 OD1 ASP B 73 19.800 -19.407 14.506 1.00 37.33 O +ATOM 1628 OD2 ASP B 73 18.096 -19.496 15.880 1.00 52.94 O +ATOM 1629 N GLY B 74 15.535 -19.019 10.954 1.00 21.04 N +ATOM 1630 CA GLY B 74 14.735 -19.149 9.973 1.00 15.14 C +ATOM 1631 C GLY B 74 14.988 -19.490 8.722 1.00 22.81 C +ATOM 1632 O GLY B 74 14.637 -20.071 7.621 1.00 25.94 O +ATOM 1633 N LEU B 75 16.509 -18.919 8.215 1.00 20.94 N +ATOM 1634 CA LEU B 75 17.037 -19.090 6.965 1.00 15.84 C +ATOM 1635 C LEU B 75 17.465 -20.570 6.842 1.00 26.11 C +ATOM 1636 O LEU B 75 17.646 -20.979 5.741 1.00 28.14 O +ATOM 1637 CB LEU B 75 18.377 -18.389 6.691 1.00 21.09 C +ATOM 1638 CG LEU B 75 18.160 -17.146 6.885 1.00 27.76 C +ATOM 1639 CD1 LEU B 75 19.415 -16.065 6.621 1.00 33.03 C +ATOM 1640 CD2 LEU B 75 17.192 -16.405 5.891 1.00 30.01 C +ATOM 1641 N ALA B 76 17.528 -21.312 7.923 1.00 21.21 N +ATOM 1642 CA ALA B 76 17.717 -22.609 7.710 1.00 22.79 C +ATOM 1643 C ALA B 76 16.647 -23.681 7.464 1.00 40.88 C +ATOM 1644 O ALA B 76 16.656 -24.527 7.123 1.00 38.44 O +ATOM 1645 CB ALA B 76 18.164 -23.328 9.061 1.00 29.05 C +ATOM 1646 N HIS B 77 15.219 -22.886 7.385 1.00 23.87 N +ATOM 1647 CA HIS B 77 13.929 -23.700 7.284 1.00 21.57 C +ATOM 1648 C HIS B 77 13.284 -22.870 6.150 1.00 18.37 C +ATOM 1649 O HIS B 77 12.059 -22.798 6.220 1.00 23.13 O +ATOM 1650 CB HIS B 77 13.250 -23.395 8.460 1.00 29.02 C +ATOM 1651 CG HIS B 77 14.079 -24.146 9.683 1.00 36.16 C +ATOM 1652 ND1 HIS B 77 14.936 -23.842 10.757 1.00 45.10 N +ATOM 1653 CD2 HIS B 77 14.095 -25.953 9.360 1.00 41.12 C +ATOM 1654 CE1 HIS B 77 15.178 -24.891 11.130 1.00 37.52 C +ATOM 1655 NE2 HIS B 77 14.852 -25.983 10.561 1.00 42.04 N +ATOM 1656 N LEU B 78 13.874 -22.553 5.099 1.00 22.31 N +ATOM 1657 CA LEU B 78 13.302 -21.614 4.148 1.00 20.28 C +ATOM 1658 C LEU B 78 12.283 -22.522 3.216 1.00 31.20 C +ATOM 1659 O LEU B 78 11.288 -21.899 3.087 1.00 34.80 O +ATOM 1660 CB LEU B 78 14.257 -21.383 2.881 1.00 19.92 C +ATOM 1661 CG LEU B 78 14.986 -19.978 3.420 1.00 39.49 C +ATOM 1662 CD1 LEU B 78 16.407 -19.926 2.680 1.00 34.16 C +ATOM 1663 CD2 LEU B 78 14.406 -18.731 3.892 1.00 31.09 C +ATOM 1664 N ASP B 79 12.097 -23.916 3.393 1.00 31.59 N +ATOM 1665 CA ASP B 79 11.104 -24.882 2.602 1.00 37.85 C +ATOM 1666 C ASP B 79 9.843 -24.653 3.569 1.00 38.72 C +ATOM 1667 O ASP B 79 9.096 -25.342 3.631 1.00 37.62 O +ATOM 1668 CB ASP B 79 11.737 -26.234 3.104 1.00 48.10 C +ATOM 1669 CG ASP B 79 12.662 -26.319 2.384 1.00 61.60 C +ATOM 1670 OD1 ASP B 79 13.286 -27.317 2.464 1.00 57.05 O +ATOM 1671 OD2 ASP B 79 12.655 -25.818 0.790 1.00 50.26 O +ATOM 1672 N ASN B 80 10.028 -24.212 4.945 1.00 35.73 N +ATOM 1673 CA ASN B 80 8.836 -24.555 6.146 1.00 42.30 C +ATOM 1674 C ASN B 80 9.062 -22.961 6.944 1.00 30.43 C +ATOM 1675 O ASN B 80 8.998 -23.185 7.997 1.00 27.17 O +ATOM 1676 CB ASN B 80 9.098 -25.723 6.800 1.00 45.64 C +ATOM 1677 CG ASN B 80 7.793 -26.259 7.837 1.00 49.79 C +ATOM 1678 OD1 ASN B 80 6.751 -25.228 7.493 1.00 49.18 O +ATOM 1679 ND2 ASN B 80 8.556 -26.466 8.946 1.00 48.18 N +ATOM 1680 N LEU B 81 8.851 -21.845 6.271 1.00 31.23 N +ATOM 1681 CA LEU B 81 8.683 -20.637 7.429 1.00 24.59 C +ATOM 1682 C LEU B 81 7.679 -20.724 8.281 1.00 25.32 C +ATOM 1683 O LEU B 81 7.523 -20.208 9.309 1.00 23.54 O +ATOM 1684 CB LEU B 81 8.987 -19.631 6.449 1.00 29.09 C +ATOM 1685 CG LEU B 81 10.160 -19.226 5.665 1.00 21.46 C +ATOM 1686 CD1 LEU B 81 10.084 -18.185 4.643 1.00 28.62 C +ATOM 1687 CD2 LEU B 81 11.341 -18.875 6.546 1.00 30.82 C +ATOM 1688 N LYS B 82 6.283 -21.136 7.490 1.00 26.15 N +ATOM 1689 CA LYS B 82 5.156 -20.862 8.452 1.00 24.25 C +ATOM 1690 C LYS B 82 5.202 -21.643 9.461 1.00 23.08 C +ATOM 1691 O LYS B 82 4.869 -21.389 10.597 1.00 24.88 O +ATOM 1692 CB LYS B 82 4.142 -21.433 7.392 1.00 40.41 C +ATOM 1693 CG LYS B 82 3.479 -20.229 6.738 1.00 39.73 C +ATOM 1694 CD LYS B 82 2.160 -20.747 5.755 1.00 66.91 C +ATOM 1695 CE LYS B 82 1.685 -20.767 6.266 1.00 59.33 C +ATOM 1696 NZ LYS B 82 -0.023 -22.087 5.346 1.00 80.12 N +ATOM 1697 N GLY B 83 5.725 -22.942 9.358 1.00 26.18 N +ATOM 1698 CA GLY B 83 5.798 -23.724 10.746 1.00 41.64 C +ATOM 1699 C GLY B 83 6.819 -23.249 11.591 1.00 31.59 C +ATOM 1700 O GLY B 83 6.621 -23.464 12.858 1.00 36.40 O +ATOM 1701 N THR B 84 7.985 -22.864 11.019 1.00 26.72 N +ATOM 1702 CA THR B 84 9.150 -22.242 11.744 1.00 25.47 C +ATOM 1703 C THR B 84 8.609 -21.278 12.796 1.00 33.72 C +ATOM 1704 O THR B 84 8.964 -20.907 13.790 1.00 27.43 O +ATOM 1705 CB THR B 84 10.394 -21.742 11.042 1.00 25.58 C +ATOM 1706 OG1 THR B 84 10.806 -23.108 10.337 1.00 39.04 O +ATOM 1707 CG2 THR B 84 11.362 -21.482 11.789 1.00 30.76 C +ATOM 1708 N PHE B 85 7.740 -20.301 12.125 1.00 23.61 N +ATOM 1709 CA PHE B 85 7.236 -18.963 12.749 1.00 21.59 C +ATOM 1710 C PHE B 85 5.980 -19.056 13.414 1.00 28.51 C +ATOM 1711 O PHE B 85 5.496 -18.006 13.809 1.00 18.85 O +ATOM 1712 CB PHE B 85 7.575 -17.733 11.855 1.00 18.34 C +ATOM 1713 CG PHE B 85 8.914 -17.486 11.587 1.00 13.87 C +ATOM 1714 CD1 PHE B 85 9.583 -17.701 10.358 1.00 16.61 C +ATOM 1715 CD2 PHE B 85 9.616 -17.039 12.693 1.00 18.32 C +ATOM 1716 CE1 PHE B 85 11.009 -17.444 10.305 1.00 27.99 C +ATOM 1717 CE2 PHE B 85 11.013 -16.752 12.253 1.00 21.68 C +ATOM 1718 CZ PHE B 85 11.837 -16.973 11.161 1.00 21.59 C +ATOM 1719 N ALA B 86 5.328 -20.141 13.373 1.00 22.16 N +ATOM 1720 CA ALA B 86 3.899 -20.242 13.948 1.00 23.14 C +ATOM 1721 C ALA B 86 3.715 -19.788 15.246 1.00 20.99 C +ATOM 1722 O ALA B 86 2.881 -18.975 15.595 1.00 20.07 O +ATOM 1723 CB ALA B 86 3.272 -21.660 13.783 1.00 23.69 C +ATOM 1724 N THR B 87 4.501 -20.280 16.157 1.00 14.82 N +ATOM 1725 CA THR B 87 4.271 -19.764 17.443 1.00 18.61 C +ATOM 1726 C THR B 87 4.737 -18.271 17.729 1.00 25.42 C +ATOM 1727 O THR B 87 4.013 -17.569 18.383 1.00 23.63 O +ATOM 1728 CB THR B 87 5.631 -20.439 18.664 1.00 36.27 C +ATOM 1729 OG1 THR B 87 5.010 -21.597 18.659 1.00 56.82 O +ATOM 1730 CG2 THR B 87 4.455 -20.311 20.305 1.00 60.80 C +ATOM 1731 N LEU B 88 5.836 -17.770 16.978 1.00 19.44 N +ATOM 1732 CA LEU B 88 5.984 -16.362 17.087 1.00 17.97 C +ATOM 1733 C LEU B 88 4.882 -15.510 16.526 1.00 11.34 C +ATOM 1734 O LEU B 88 4.682 -14.416 16.964 1.00 17.71 O +ATOM 1735 CB LEU B 88 7.361 -16.058 16.476 1.00 20.20 C +ATOM 1736 CG LEU B 88 8.654 -16.553 17.229 1.00 27.17 C +ATOM 1737 CD1 LEU B 88 9.614 -15.962 16.454 1.00 32.32 C +ATOM 1738 CD2 LEU B 88 8.631 -15.491 18.343 1.00 27.72 C +ATOM 1739 N SER B 89 4.254 -16.087 15.451 1.00 12.58 N +ATOM 1740 CA SER B 89 3.084 -15.313 14.877 1.00 15.21 C +ATOM 1741 C SER B 89 1.999 -14.995 15.898 1.00 14.13 C +ATOM 1742 O SER B 89 1.472 -13.894 16.189 1.00 14.29 O +ATOM 1743 CB SER B 89 2.771 -16.248 13.670 1.00 18.34 C +ATOM 1744 OG SER B 89 1.531 -15.441 13.107 1.00 17.85 O +ATOM 1745 N GLU B 90 1.628 -16.201 16.484 1.00 14.25 N +ATOM 1746 CA GLU B 90 0.931 -16.070 17.617 1.00 20.50 C +ATOM 1747 C GLU B 90 0.876 -15.142 18.820 1.00 13.47 C +ATOM 1748 O GLU B 90 0.179 -14.243 19.122 1.00 16.05 O +ATOM 1749 CB GLU B 90 0.387 -17.706 18.270 1.00 21.76 C +ATOM 1750 CG GLU B 90 0.049 -18.266 17.145 1.00 48.13 C +ATOM 1751 CD GLU B 90 -0.726 -20.095 17.710 1.00 78.64 C +ATOM 1752 OE1 GLU B 90 -1.132 -19.837 18.495 1.00 55.55 O +ATOM 1753 OE2 GLU B 90 0.235 -20.950 17.492 1.00 74.37 O +ATOM 1754 N LEU B 91 2.312 -15.215 19.185 1.00 13.36 N +ATOM 1755 CA LEU B 91 2.718 -14.253 20.128 1.00 14.20 C +ATOM 1756 C LEU B 91 2.527 -12.831 19.767 1.00 8.80 C +ATOM 1757 O LEU B 91 2.160 -11.906 20.481 1.00 10.74 O +ATOM 1758 CB LEU B 91 4.110 -14.807 20.432 1.00 12.00 C +ATOM 1759 CG LEU B 91 4.669 -13.801 21.348 1.00 18.50 C +ATOM 1760 CD1 LEU B 91 4.127 -14.212 22.834 1.00 20.79 C +ATOM 1761 CD2 LEU B 91 5.943 -13.652 21.455 1.00 37.40 C +ATOM 1762 N HIS B 92 3.059 -12.662 18.493 1.00 10.78 N +ATOM 1763 CA HIS B 92 3.032 -11.268 18.253 1.00 11.85 C +ATOM 1764 C HIS B 92 1.536 -10.600 17.895 1.00 11.06 C +ATOM 1765 O HIS B 92 1.291 -9.431 18.158 1.00 13.45 O +ATOM 1766 CB HIS B 92 3.754 -11.078 16.807 1.00 9.95 C +ATOM 1767 CG HIS B 92 5.289 -10.900 17.051 1.00 15.50 C +ATOM 1768 ND1 HIS B 92 6.099 -12.172 17.134 1.00 15.27 N +ATOM 1769 CD2 HIS B 92 6.215 -9.905 16.994 1.00 23.76 C +ATOM 1770 CE1 HIS B 92 7.432 -11.572 17.375 1.00 16.99 C +ATOM 1771 NE2 HIS B 92 7.367 -10.337 17.129 1.00 14.76 N +ATOM 1772 N CYS B 93 0.636 -11.512 17.534 1.00 14.83 N +ATOM 1773 CA CYS B 93 -0.706 -11.057 17.499 1.00 12.23 C +ATOM 1774 C CYS B 93 -1.360 -10.953 18.986 1.00 10.49 C +ATOM 1775 O CYS B 93 -1.843 -9.987 19.222 1.00 18.01 O +ATOM 1776 CB CYS B 93 -1.330 -12.054 16.605 1.00 15.43 C +ATOM 1777 SG CYS B 93 -3.259 -11.741 16.494 1.00 18.37 S +ATOM 1778 N ASP B 94 -1.338 -12.094 19.598 1.00 13.11 N +ATOM 1779 CA ASP B 94 -2.308 -12.076 20.721 1.00 15.32 C +ATOM 1780 C ASP B 94 -1.586 -11.449 21.803 1.00 25.71 C +ATOM 1781 O ASP B 94 -2.319 -10.827 22.800 1.00 21.65 O +ATOM 1782 CB ASP B 94 -2.522 -13.477 21.183 1.00 21.65 C +ATOM 1783 CG ASP B 94 -3.443 -14.553 20.246 1.00 42.42 C +ATOM 1784 OD1 ASP B 94 -3.967 -13.792 19.626 1.00 30.02 O +ATOM 1785 OD2 ASP B 94 -3.094 -15.441 20.443 1.00 43.30 O +ATOM 1786 N LYS B 95 -0.348 -11.361 22.144 1.00 18.55 N +ATOM 1787 CA LYS B 95 0.080 -10.591 23.184 1.00 19.10 C +ATOM 1788 C LYS B 95 0.803 -9.499 23.130 1.00 19.57 C +ATOM 1789 O LYS B 95 0.736 -8.565 23.699 1.00 21.87 O +ATOM 1790 CB LYS B 95 1.151 -11.737 23.890 1.00 25.95 C +ATOM 1791 CG LYS B 95 0.477 -13.054 24.377 1.00 24.86 C +ATOM 1792 CD LYS B 95 -0.659 -12.473 25.407 1.00 36.14 C +ATOM 1793 CE LYS B 95 -1.063 -13.745 26.122 1.00 47.76 C +ATOM 1794 NZ LYS B 95 -2.126 -13.501 26.952 1.00 55.91 N +ATOM 1795 N LEU B 96 1.669 -9.358 21.897 1.00 12.40 N +ATOM 1796 CA LEU B 96 2.264 -8.159 21.581 1.00 11.86 C +ATOM 1797 C LEU B 96 1.626 -7.005 20.824 1.00 15.10 C +ATOM 1798 O LEU B 96 2.002 -5.926 20.849 1.00 17.50 O +ATOM 1799 CB LEU B 96 3.645 -8.491 21.134 1.00 14.08 C +ATOM 1800 CG LEU B 96 4.528 -9.722 21.739 1.00 12.34 C +ATOM 1801 CD1 LEU B 96 5.778 -9.939 20.848 1.00 13.78 C +ATOM 1802 CD2 LEU B 96 4.863 -8.876 23.113 1.00 22.81 C +ATOM 1803 N HIS B 97 0.616 -7.508 20.069 1.00 15.44 N +ATOM 1804 CA HIS B 97 -0.223 -6.510 19.374 1.00 18.15 C +ATOM 1805 C HIS B 97 0.581 -5.736 18.319 1.00 12.24 C +ATOM 1806 O HIS B 97 0.337 -4.532 18.056 1.00 15.82 O +ATOM 1807 CB HIS B 97 -1.053 -5.508 20.203 1.00 17.74 C +ATOM 1808 CG HIS B 97 -1.716 -6.273 21.483 1.00 16.77 C +ATOM 1809 ND1 HIS B 97 -2.602 -7.310 21.250 1.00 19.56 N +ATOM 1810 CD2 HIS B 97 -1.189 -6.197 22.703 1.00 23.33 C +ATOM 1811 CE1 HIS B 97 -2.759 -7.812 22.476 1.00 19.82 C +ATOM 1812 NE2 HIS B 97 -2.056 -7.104 23.341 1.00 20.39 N +ATOM 1813 N VAL B 98 1.359 -6.524 17.506 1.00 13.81 N +ATOM 1814 CA VAL B 98 2.284 -5.763 16.567 1.00 9.22 C +ATOM 1815 C VAL B 98 1.443 -5.905 15.109 1.00 9.86 C +ATOM 1816 O VAL B 98 1.420 -7.012 14.615 1.00 12.90 O +ATOM 1817 CB VAL B 98 3.592 -6.460 16.393 1.00 9.87 C +ATOM 1818 CG1 VAL B 98 4.438 -5.824 15.405 1.00 14.91 C +ATOM 1819 CG2 VAL B 98 4.444 -6.258 17.798 1.00 11.36 C +ATOM 1820 N ASP B 99 1.147 -4.763 14.513 1.00 11.46 N +ATOM 1821 CA ASP B 99 0.360 -4.723 13.272 1.00 9.02 C +ATOM 1822 C ASP B 99 1.555 -5.328 12.375 1.00 15.41 C +ATOM 1823 O ASP B 99 2.744 -4.931 12.235 1.00 10.63 O +ATOM 1824 CB ASP B 99 0.336 -3.327 12.907 1.00 9.79 C +ATOM 1825 CG ASP B 99 -0.231 -3.002 11.431 1.00 10.69 C +ATOM 1826 OD1 ASP B 99 -0.535 -1.748 11.309 1.00 15.04 O +ATOM 1827 OD2 ASP B 99 -0.299 -4.052 10.734 1.00 11.07 O +ATOM 1828 N PRO B 100 1.274 -6.350 11.556 1.00 10.46 N +ATOM 1829 CA PRO B 100 2.264 -7.099 10.669 1.00 11.87 C +ATOM 1830 C PRO B 100 2.744 -6.170 9.522 1.00 13.04 C +ATOM 1831 O PRO B 100 3.883 -6.627 8.995 1.00 13.79 O +ATOM 1832 CB PRO B 100 1.545 -8.233 10.081 1.00 17.03 C +ATOM 1833 CG PRO B 100 0.234 -8.243 10.793 1.00 17.33 C +ATOM 1834 CD PRO B 100 -0.030 -7.028 11.592 1.00 9.97 C +ATOM 1835 N GLU B 101 2.300 -4.973 9.393 1.00 9.66 N +ATOM 1836 CA GLU B 101 2.927 -3.983 8.469 1.00 11.29 C +ATOM 1837 C GLU B 101 4.322 -3.633 8.825 1.00 17.59 C +ATOM 1838 O GLU B 101 5.293 -3.640 8.196 1.00 16.98 O +ATOM 1839 CB GLU B 101 2.178 -2.819 8.156 1.00 18.71 C +ATOM 1840 CG GLU B 101 2.755 -1.760 7.270 1.00 30.25 C +ATOM 1841 CD GLU B 101 2.569 -2.612 5.445 1.00 26.27 C +ATOM 1842 OE1 GLU B 101 1.725 -3.411 5.564 1.00 25.29 O +ATOM 1843 OE2 GLU B 101 3.441 -1.765 5.293 1.00 34.30 O +ATOM 1844 N ASN B 102 4.601 -3.752 10.314 1.00 12.60 N +ATOM 1845 CA ASN B 102 5.969 -3.548 10.721 1.00 9.48 C +ATOM 1846 C ASN B 102 6.861 -4.572 10.309 1.00 8.44 C +ATOM 1847 O ASN B 102 8.118 -4.224 10.106 1.00 13.92 O +ATOM 1848 CB ASN B 102 5.901 -3.665 12.265 1.00 18.27 C +ATOM 1849 CG ASN B 102 5.284 -2.285 12.825 1.00 26.18 C +ATOM 1850 OD1 ASN B 102 5.641 -1.422 12.815 1.00 20.87 O +ATOM 1851 ND2 ASN B 102 4.003 -2.618 13.502 1.00 25.76 N +ATOM 1852 N PHE B 103 6.584 -5.846 10.057 1.00 11.66 N +ATOM 1853 CA PHE B 103 7.332 -6.920 9.605 1.00 11.79 C +ATOM 1854 C PHE B 103 7.931 -6.435 8.177 1.00 19.35 C +ATOM 1855 O PHE B 103 8.997 -6.751 7.762 1.00 16.06 O +ATOM 1856 CB PHE B 103 6.816 -8.253 9.574 1.00 12.75 C +ATOM 1857 CG PHE B 103 6.173 -8.727 10.951 1.00 17.48 C +ATOM 1858 CD1 PHE B 103 6.884 -8.372 12.079 1.00 13.65 C +ATOM 1859 CD2 PHE B 103 5.035 -9.335 10.925 1.00 13.36 C +ATOM 1860 CE1 PHE B 103 6.240 -8.652 13.315 1.00 14.94 C +ATOM 1861 CE2 PHE B 103 4.498 -9.665 12.273 1.00 14.24 C +ATOM 1862 CZ PHE B 103 5.298 -9.364 13.368 1.00 19.61 C +ATOM 1863 N ARG B 104 6.970 -5.873 7.380 1.00 13.60 N +ATOM 1864 CA ARG B 104 7.430 -5.624 6.005 1.00 17.00 C +ATOM 1865 C ARG B 104 8.326 -4.499 5.935 1.00 13.66 C +ATOM 1866 O ARG B 104 9.337 -4.368 5.141 1.00 13.41 O +ATOM 1867 CB ARG B 104 6.018 -5.177 5.223 1.00 18.62 C +ATOM 1868 CG ARG B 104 5.137 -6.280 4.965 1.00 31.60 C +ATOM 1869 CD ARG B 104 3.494 -6.093 4.370 1.00 44.99 C +ATOM 1870 NE ARG B 104 2.810 -7.429 5.065 1.00 53.69 N +ATOM 1871 CZ ARG B 104 1.600 -6.829 3.420 1.00 80.12 C +ATOM 1872 NH1 ARG B 104 0.761 -5.157 3.344 1.00 72.76 N +ATOM 1873 NH2 ARG B 104 1.186 -8.540 2.528 1.00 80.07 N +ATOM 1874 N LEU B 105 8.064 -3.438 6.831 1.00 12.29 N +ATOM 1875 CA LEU B 105 8.899 -2.275 6.982 1.00 11.07 C +ATOM 1876 C LEU B 105 10.327 -2.808 7.482 1.00 13.91 C +ATOM 1877 O LEU B 105 11.317 -2.347 6.887 1.00 14.94 O +ATOM 1878 CB LEU B 105 8.443 -1.409 8.005 1.00 12.50 C +ATOM 1879 CG LEU B 105 7.121 -0.514 7.549 1.00 17.21 C +ATOM 1880 CD1 LEU B 105 6.747 0.236 8.813 1.00 19.52 C +ATOM 1881 CD2 LEU B 105 7.420 0.384 6.353 1.00 25.82 C +ATOM 1882 N LEU B 106 10.302 -3.738 8.415 1.00 16.16 N +ATOM 1883 CA LEU B 106 11.679 -4.227 8.855 1.00 11.19 C +ATOM 1884 C LEU B 106 12.325 -4.914 7.713 1.00 11.49 C +ATOM 1885 O LEU B 106 13.544 -4.734 7.492 1.00 14.59 O +ATOM 1886 CB LEU B 106 11.615 -5.043 10.074 1.00 9.57 C +ATOM 1887 CG LEU B 106 12.904 -5.567 10.740 1.00 14.52 C +ATOM 1888 CD1 LEU B 106 13.738 -4.483 11.015 1.00 20.21 C +ATOM 1889 CD2 LEU B 106 12.609 -6.504 11.567 1.00 25.23 C +ATOM 1890 N GLY B 107 11.728 -5.699 6.854 1.00 8.80 N +ATOM 1891 CA GLY B 107 12.297 -6.476 5.851 1.00 11.35 C +ATOM 1892 C GLY B 107 12.781 -5.426 4.844 1.00 11.83 C +ATOM 1893 O GLY B 107 13.958 -5.700 4.332 1.00 14.42 O +ATOM 1894 N ASN B 108 12.187 -4.243 4.553 1.00 11.55 N +ATOM 1895 CA ASN B 108 12.802 -3.506 3.538 1.00 9.47 C +ATOM 1896 C ASN B 108 14.026 -2.647 4.184 1.00 9.85 C +ATOM 1897 O ASN B 108 14.983 -2.466 3.460 1.00 13.16 O +ATOM 1898 CB ASN B 108 11.824 -2.458 3.182 1.00 16.47 C +ATOM 1899 CG ASN B 108 10.727 -3.234 1.924 1.00 25.36 C +ATOM 1900 OD1 ASN B 108 11.335 -4.320 1.398 1.00 28.00 O +ATOM 1901 ND2 ASN B 108 10.036 -2.270 2.100 1.00 42.45 N +ATOM 1902 N VAL B 109 14.008 -2.327 5.491 1.00 11.97 N +ATOM 1903 CA VAL B 109 15.193 -1.717 6.001 1.00 8.99 C +ATOM 1904 C VAL B 109 16.259 -2.676 6.124 1.00 12.55 C +ATOM 1905 O VAL B 109 17.518 -2.304 5.902 1.00 13.71 O +ATOM 1906 CB VAL B 109 14.853 -1.250 7.488 1.00 15.07 C +ATOM 1907 CG1 VAL B 109 16.100 -0.810 8.069 1.00 19.91 C +ATOM 1908 CG2 VAL B 109 13.852 0.066 7.393 1.00 15.78 C +ATOM 1909 N LEU B 110 16.030 -4.023 6.388 1.00 9.97 N +ATOM 1910 CA LEU B 110 17.059 -5.101 6.357 1.00 9.78 C +ATOM 1911 C LEU B 110 17.764 -5.056 5.040 1.00 13.14 C +ATOM 1912 O LEU B 110 18.980 -5.187 4.895 1.00 11.97 O +ATOM 1913 CB LEU B 110 16.410 -6.369 6.847 1.00 11.11 C +ATOM 1914 CG LEU B 110 17.490 -7.596 6.862 1.00 18.59 C +ATOM 1915 CD1 LEU B 110 18.696 -7.290 7.723 1.00 24.07 C +ATOM 1916 CD2 LEU B 110 17.031 -8.897 7.193 1.00 21.67 C +ATOM 1917 N VAL B 111 17.015 -5.083 3.938 1.00 10.25 N +ATOM 1918 CA VAL B 111 17.517 -5.121 2.535 1.00 8.08 C +ATOM 1919 C VAL B 111 18.459 -3.959 2.465 1.00 10.10 C +ATOM 1920 O VAL B 111 19.605 -3.960 1.822 1.00 14.18 O +ATOM 1921 CB VAL B 111 16.320 -5.216 1.576 1.00 11.95 C +ATOM 1922 CG1 VAL B 111 16.949 -4.942 0.196 1.00 16.64 C +ATOM 1923 CG2 VAL B 111 15.888 -6.643 1.659 1.00 12.92 C +ATOM 1924 N CYS B 112 18.155 -2.685 2.811 1.00 10.01 N +ATOM 1925 CA CYS B 112 18.863 -1.400 2.699 1.00 9.19 C +ATOM 1926 C CYS B 112 20.143 -1.657 3.581 1.00 14.92 C +ATOM 1927 O CYS B 112 21.199 -1.284 3.015 1.00 13.93 O +ATOM 1928 CB CYS B 112 18.369 -0.230 3.207 1.00 15.04 C +ATOM 1929 SG CYS B 112 16.911 0.308 2.042 1.00 18.10 S +ATOM 1930 N VAL B 113 19.969 -2.202 4.651 1.00 9.52 N +ATOM 1931 CA VAL B 113 21.202 -2.512 5.398 1.00 11.92 C +ATOM 1932 C VAL B 113 22.035 -3.532 4.865 1.00 15.57 C +ATOM 1933 O VAL B 113 23.397 -3.138 4.862 1.00 13.38 O +ATOM 1934 CB VAL B 113 20.888 -2.948 6.932 1.00 12.70 C +ATOM 1935 CG1 VAL B 113 22.031 -3.383 7.663 1.00 17.23 C +ATOM 1936 CG2 VAL B 113 20.282 -1.893 7.694 1.00 17.43 C +ATOM 1937 N LEU B 114 21.768 -4.615 4.224 1.00 10.74 N +ATOM 1938 CA LEU B 114 22.632 -5.454 3.485 1.00 10.20 C +ATOM 1939 C LEU B 114 23.346 -4.641 2.455 1.00 10.87 C +ATOM 1940 O LEU B 114 24.522 -5.071 2.156 1.00 12.76 O +ATOM 1941 CB LEU B 114 21.856 -6.600 3.242 1.00 6.84 C +ATOM 1942 CG LEU B 114 21.362 -7.530 4.328 1.00 10.74 C +ATOM 1943 CD1 LEU B 114 20.435 -8.554 3.798 1.00 15.38 C +ATOM 1944 CD2 LEU B 114 22.500 -8.141 5.077 1.00 21.35 C +ATOM 1945 N ALA B 115 22.472 -3.897 1.677 1.00 9.28 N +ATOM 1946 CA ALA B 115 23.134 -3.206 0.546 1.00 9.22 C +ATOM 1947 C ALA B 115 24.284 -2.278 1.091 1.00 9.44 C +ATOM 1948 O ALA B 115 25.320 -2.142 0.446 1.00 12.10 O +ATOM 1949 CB ALA B 115 21.930 -2.539 -0.036 1.00 12.15 C +ATOM 1950 N HIS B 116 23.975 -1.612 2.171 1.00 13.11 N +ATOM 1951 CA HIS B 116 25.023 -0.593 2.641 1.00 12.81 C +ATOM 1952 C HIS B 116 26.176 -1.395 3.061 1.00 18.85 C +ATOM 1953 O HIS B 116 27.357 -0.986 2.878 1.00 16.05 O +ATOM 1954 CB HIS B 116 24.442 0.070 3.767 1.00 17.43 C +ATOM 1955 CG HIS B 116 25.164 1.158 4.279 1.00 27.80 C +ATOM 1956 ND1 HIS B 116 25.567 1.157 5.736 1.00 27.30 N +ATOM 1957 CD2 HIS B 116 25.793 2.195 3.793 1.00 25.62 C +ATOM 1958 CE1 HIS B 116 26.226 2.480 5.818 1.00 29.22 C +ATOM 1959 NE2 HIS B 116 26.570 2.986 4.660 1.00 26.05 N +ATOM 1960 N HIS B 117 26.066 -2.490 3.850 1.00 11.35 N +ATOM 1961 CA HIS B 117 27.064 -3.366 4.194 1.00 18.75 C +ATOM 1962 C HIS B 117 27.881 -3.985 3.242 1.00 20.53 C +ATOM 1963 O HIS B 117 29.104 -4.114 3.403 1.00 17.07 O +ATOM 1964 CB HIS B 117 26.621 -4.637 5.175 1.00 19.57 C +ATOM 1965 CG HIS B 117 27.096 -4.621 6.444 1.00 39.90 C +ATOM 1966 ND1 HIS B 117 26.039 -3.036 6.824 1.00 47.73 N +ATOM 1967 CD2 HIS B 117 28.146 -5.329 7.512 1.00 38.82 C +ATOM 1968 CE1 HIS B 117 26.295 -2.928 8.550 1.00 27.38 C +ATOM 1969 NE2 HIS B 117 26.763 -4.335 8.924 1.00 51.83 N +ATOM 1970 N PHE B 118 27.367 -4.628 2.104 1.00 13.44 N +ATOM 1971 CA PHE B 118 27.888 -5.419 1.096 1.00 13.47 C +ATOM 1972 C PHE B 118 28.280 -4.574 -0.126 1.00 14.52 C +ATOM 1973 O PHE B 118 29.082 -5.219 -0.874 1.00 15.85 O +ATOM 1974 CB PHE B 118 27.174 -6.618 0.947 1.00 14.99 C +ATOM 1975 CG PHE B 118 27.310 -7.470 1.980 1.00 22.65 C +ATOM 1976 CD1 PHE B 118 26.224 -7.666 2.855 1.00 28.61 C +ATOM 1977 CD2 PHE B 118 28.549 -8.159 2.601 1.00 34.26 C +ATOM 1978 CE1 PHE B 118 26.242 -8.675 3.981 1.00 29.50 C +ATOM 1979 CE2 PHE B 118 28.351 -9.080 3.277 1.00 36.60 C +ATOM 1980 CZ PHE B 118 27.627 -9.130 4.417 1.00 30.15 C +ATOM 1981 N GLY B 119 27.701 -3.412 -0.335 1.00 13.81 N +ATOM 1982 CA GLY B 119 28.107 -2.567 -1.533 1.00 14.28 C +ATOM 1983 C GLY B 119 27.814 -3.353 -2.686 1.00 17.07 C +ATOM 1984 O GLY B 119 26.808 -4.212 -2.888 1.00 16.48 O +ATOM 1985 N LYS B 120 28.740 -3.472 -3.465 1.00 19.17 N +ATOM 1986 CA LYS B 120 28.535 -4.059 -4.848 1.00 27.00 C +ATOM 1987 C LYS B 120 28.486 -5.640 -4.886 1.00 25.94 C +ATOM 1988 O LYS B 120 27.868 -6.039 -5.935 1.00 20.66 O +ATOM 1989 CB LYS B 120 29.863 -3.838 -5.852 1.00 31.85 C +ATOM 1990 CG LYS B 120 30.960 -4.510 -5.562 1.00 36.58 C +ATOM 1991 CD LYS B 120 32.161 -4.170 -6.625 1.00 49.76 C +ATOM 1992 CE LYS B 120 33.201 -5.292 -5.966 1.00 55.47 C +ATOM 1993 NZ LYS B 120 34.292 -5.686 -6.589 1.00 71.03 N +ATOM 1994 N GLU B 121 28.720 -6.302 -3.902 1.00 20.26 N +ATOM 1995 CA GLU B 121 28.393 -7.556 -3.778 1.00 15.17 C +ATOM 1996 C GLU B 121 26.786 -7.871 -3.622 1.00 13.63 C +ATOM 1997 O GLU B 121 26.362 -9.055 -3.923 1.00 17.16 O +ATOM 1998 CB GLU B 121 29.233 -8.318 -2.533 1.00 29.40 C +ATOM 1999 CG GLU B 121 29.541 -9.342 -2.700 1.00 50.25 C +ATOM 2000 CD GLU B 121 30.241 -9.882 -0.830 1.00 42.74 C +ATOM 2001 OE1 GLU B 121 29.786 -11.667 -1.141 1.00 47.83 O +ATOM 2002 OE2 GLU B 121 31.217 -9.425 -1.168 1.00 34.52 O +ATOM 2003 N PHE B 122 26.054 -6.831 -3.241 1.00 14.63 N +ATOM 2004 CA PHE B 122 24.581 -7.077 -3.075 1.00 15.34 C +ATOM 2005 C PHE B 122 24.015 -6.737 -4.532 1.00 13.61 C +ATOM 2006 O PHE B 122 23.478 -5.701 -4.760 1.00 14.29 O +ATOM 2007 CB PHE B 122 24.133 -6.005 -1.987 1.00 12.07 C +ATOM 2008 CG PHE B 122 22.750 -6.466 -1.525 1.00 11.02 C +ATOM 2009 CD1 PHE B 122 22.540 -7.652 -0.894 1.00 16.65 C +ATOM 2010 CD2 PHE B 122 21.790 -5.593 -1.747 1.00 10.83 C +ATOM 2011 CE1 PHE B 122 21.288 -8.069 -0.329 1.00 13.73 C +ATOM 2012 CE2 PHE B 122 20.427 -5.937 -1.325 1.00 12.97 C +ATOM 2013 CZ PHE B 122 20.322 -7.247 -0.672 1.00 16.05 C +ATOM 2014 N THR B 123 24.216 -7.664 -5.332 1.00 18.07 N +ATOM 2015 CA THR B 123 23.866 -7.444 -6.796 1.00 21.03 C +ATOM 2016 C THR B 123 22.176 -7.347 -6.888 1.00 27.18 C +ATOM 2017 O THR B 123 21.678 -7.911 -6.078 1.00 14.31 O +ATOM 2018 CB THR B 123 24.352 -8.535 -7.622 1.00 19.82 C +ATOM 2019 OG1 THR B 123 24.030 -9.746 -7.305 1.00 17.47 O +ATOM 2020 CG2 THR B 123 25.945 -8.568 -7.681 1.00 22.67 C +ATOM 2021 N PRO B 124 21.821 -7.033 -7.981 1.00 19.47 N +ATOM 2022 CA PRO B 124 20.309 -7.060 -8.306 1.00 20.19 C +ATOM 2023 C PRO B 124 19.874 -8.457 -8.199 1.00 20.69 C +ATOM 2024 O PRO B 124 18.738 -8.543 -7.455 1.00 13.34 O +ATOM 2025 CB PRO B 124 20.074 -6.480 -9.678 1.00 17.09 C +ATOM 2026 CG PRO B 124 21.308 -5.510 -9.842 1.00 18.87 C +ATOM 2027 CD PRO B 124 22.649 -6.190 -9.202 1.00 24.42 C +ATOM 2028 N PRO B 125 20.354 -9.489 -8.576 1.00 16.20 N +ATOM 2029 CA PRO B 125 19.952 -10.892 -8.433 1.00 16.84 C +ATOM 2030 C PRO B 125 19.925 -11.341 -6.992 1.00 14.92 C +ATOM 2031 O PRO B 125 18.950 -11.983 -6.530 1.00 16.05 O +ATOM 2032 CB PRO B 125 20.675 -11.924 -9.198 1.00 19.48 C +ATOM 2033 CG PRO B 125 21.240 -11.056 -10.143 1.00 21.56 C +ATOM 2034 CD PRO B 125 21.611 -9.723 -9.654 1.00 25.73 C +ATOM 2035 N VAL B 126 20.904 -10.923 -6.329 1.00 13.83 N +ATOM 2036 CA VAL B 126 20.919 -11.183 -4.904 1.00 19.80 C +ATOM 2037 C VAL B 126 20.061 -10.295 -4.143 1.00 14.89 C +ATOM 2038 O VAL B 126 19.229 -10.946 -3.203 1.00 13.92 O +ATOM 2039 CB VAL B 126 22.424 -10.769 -4.382 1.00 19.55 C +ATOM 2040 CG1 VAL B 126 22.408 -11.156 -2.912 1.00 21.55 C +ATOM 2041 CG2 VAL B 126 23.366 -11.841 -4.809 1.00 27.82 C +ATOM 2042 N GLN B 127 19.711 -9.155 -4.321 1.00 13.64 N +ATOM 2043 CA GLN B 127 18.607 -8.382 -3.880 1.00 9.72 C +ATOM 2044 C GLN B 127 17.397 -9.130 -3.899 1.00 16.14 C +ATOM 2045 O GLN B 127 16.431 -9.272 -3.189 1.00 12.24 O +ATOM 2046 CB GLN B 127 18.574 -6.951 -4.292 1.00 13.15 C +ATOM 2047 CG GLN B 127 17.258 -6.340 -3.818 1.00 13.42 C +ATOM 2048 CD GLN B 127 17.180 -5.056 -4.465 1.00 16.28 C +ATOM 2049 OE1 GLN B 127 17.979 -4.488 -5.247 1.00 16.20 O +ATOM 2050 NE2 GLN B 127 16.107 -4.400 -4.118 1.00 19.47 N +ATOM 2051 N ALA B 128 17.014 -9.478 -5.230 1.00 15.15 N +ATOM 2052 CA ALA B 128 15.847 -10.225 -5.543 1.00 15.02 C +ATOM 2053 C ALA B 128 15.496 -11.450 -4.737 1.00 11.97 C +ATOM 2054 O ALA B 128 14.413 -11.642 -4.228 1.00 16.35 O +ATOM 2055 CB ALA B 128 15.759 -10.403 -7.092 1.00 17.08 C +ATOM 2056 N ALA B 129 16.462 -12.287 -4.461 1.00 13.66 N +ATOM 2057 CA ALA B 129 16.408 -13.427 -3.647 1.00 13.76 C +ATOM 2058 C ALA B 129 16.208 -12.966 -2.160 1.00 10.22 C +ATOM 2059 O ALA B 129 15.192 -13.627 -1.584 1.00 10.46 O +ATOM 2060 CB ALA B 129 17.632 -14.165 -3.702 1.00 13.23 C +ATOM 2061 N TYR B 130 16.867 -11.953 -1.693 1.00 10.66 N +ATOM 2062 CA TYR B 130 16.462 -11.629 -0.331 1.00 13.05 C +ATOM 2063 C TYR B 130 15.102 -10.929 -0.163 1.00 11.70 C +ATOM 2064 O TYR B 130 14.473 -11.012 0.813 1.00 11.83 O +ATOM 2065 CB TYR B 130 17.543 -10.575 0.161 1.00 11.97 C +ATOM 2066 CG TYR B 130 18.623 -11.287 0.924 1.00 13.90 C +ATOM 2067 CD1 TYR B 130 18.650 -11.526 2.272 1.00 15.61 C +ATOM 2068 CD2 TYR B 130 19.782 -11.574 0.237 1.00 14.18 C +ATOM 2069 CE1 TYR B 130 19.630 -12.272 2.811 1.00 19.97 C +ATOM 2070 CE2 TYR B 130 20.865 -12.543 0.889 1.00 19.65 C +ATOM 2071 CZ TYR B 130 20.770 -12.571 2.260 1.00 22.28 C +ATOM 2072 OH TYR B 130 21.731 -13.339 2.902 1.00 21.52 O +ATOM 2073 N GLN B 131 14.606 -10.236 -1.202 1.00 12.03 N +ATOM 2074 CA GLN B 131 13.282 -9.830 -1.214 1.00 12.03 C +ATOM 2075 C GLN B 131 12.216 -10.851 -1.125 1.00 12.76 C +ATOM 2076 O GLN B 131 11.369 -10.664 -0.189 1.00 15.09 O +ATOM 2077 CB GLN B 131 12.944 -9.078 -2.464 1.00 14.85 C +ATOM 2078 CG GLN B 131 13.735 -7.716 -2.449 1.00 19.57 C +ATOM 2079 CD GLN B 131 13.251 -6.548 -1.638 1.00 22.82 C +ATOM 2080 OE1 GLN B 131 13.981 -5.553 -1.833 1.00 18.44 O +ATOM 2081 NE2 GLN B 131 12.251 -6.415 -0.990 1.00 16.43 N +ATOM 2082 N LYS B 132 12.503 -11.991 -1.746 1.00 12.50 N +ATOM 2083 CA LYS B 132 11.644 -13.098 -1.708 1.00 14.23 C +ATOM 2084 C LYS B 132 11.592 -13.603 -0.224 1.00 17.46 C +ATOM 2085 O LYS B 132 10.599 -13.851 0.497 1.00 14.87 O +ATOM 2086 CB LYS B 132 11.937 -14.147 -2.452 1.00 19.74 C +ATOM 2087 CG LYS B 132 11.561 -13.879 -3.966 1.00 26.28 C +ATOM 2088 CD LYS B 132 11.989 -15.031 -4.739 1.00 31.58 C +ATOM 2089 CE LYS B 132 11.660 -14.274 -6.180 1.00 32.98 C +ATOM 2090 NZ LYS B 132 12.119 -15.998 -6.779 1.00 37.48 N +ATOM 2091 N VAL B 133 12.856 -13.702 0.483 1.00 17.22 N +ATOM 2092 CA VAL B 133 13.038 -14.205 1.805 1.00 11.45 C +ATOM 2093 C VAL B 133 12.401 -13.319 2.840 1.00 11.90 C +ATOM 2094 O VAL B 133 11.556 -13.799 3.731 1.00 13.71 O +ATOM 2095 CB VAL B 133 14.459 -14.401 2.160 1.00 16.41 C +ATOM 2096 CG1 VAL B 133 14.632 -14.683 3.511 1.00 36.18 C +ATOM 2097 CG2 VAL B 133 15.014 -15.541 1.250 1.00 15.51 C +ATOM 2098 N VAL B 134 12.512 -11.981 2.749 1.00 13.21 N +ATOM 2099 CA VAL B 134 12.091 -11.081 3.574 1.00 12.26 C +ATOM 2100 C VAL B 134 10.632 -11.128 3.483 1.00 16.19 C +ATOM 2101 O VAL B 134 9.763 -10.888 4.517 1.00 17.40 O +ATOM 2102 CB VAL B 134 12.356 -9.643 3.780 1.00 11.96 C +ATOM 2103 CG1 VAL B 134 13.841 -9.777 4.082 1.00 18.38 C +ATOM 2104 CG2 VAL B 134 12.314 -8.873 2.475 1.00 14.78 C +ATOM 2105 N ALA B 135 9.938 -11.113 2.262 1.00 13.32 N +ATOM 2106 CA ALA B 135 8.505 -11.237 2.119 1.00 21.37 C +ATOM 2107 C ALA B 135 7.942 -12.494 2.777 1.00 17.09 C +ATOM 2108 O ALA B 135 6.829 -12.512 3.348 1.00 17.43 O +ATOM 2109 CB ALA B 135 8.135 -10.953 0.769 1.00 28.77 C +ATOM 2110 N GLY B 136 8.572 -13.635 2.636 1.00 18.26 N +ATOM 2111 CA GLY B 136 8.219 -15.058 3.189 1.00 19.82 C +ATOM 2112 C GLY B 136 8.146 -14.912 4.633 1.00 16.67 C +ATOM 2113 O GLY B 136 7.260 -15.405 5.231 1.00 15.34 O +ATOM 2114 N VAL B 137 9.300 -14.354 5.275 1.00 19.06 N +ATOM 2115 CA VAL B 137 9.275 -14.229 6.676 1.00 13.40 C +ATOM 2116 C VAL B 137 8.222 -13.320 7.172 1.00 14.98 C +ATOM 2117 O VAL B 137 7.448 -13.726 8.127 1.00 15.32 O +ATOM 2118 CB VAL B 137 10.681 -13.683 7.141 1.00 12.05 C +ATOM 2119 CG1 VAL B 137 10.587 -13.517 8.589 1.00 24.37 C +ATOM 2120 CG2 VAL B 137 11.663 -14.723 6.701 1.00 11.44 C +ATOM 2121 N ALA B 138 7.830 -12.223 6.567 1.00 14.63 N +ATOM 2122 CA ALA B 138 6.739 -11.343 6.960 1.00 14.97 C +ATOM 2123 C ALA B 138 5.477 -12.035 7.025 1.00 14.00 C +ATOM 2124 O ALA B 138 4.520 -11.965 7.766 1.00 15.18 O +ATOM 2125 CB ALA B 138 6.733 -10.129 6.135 1.00 21.60 C +ATOM 2126 N ASN B 139 5.257 -12.632 5.801 1.00 14.76 N +ATOM 2127 CA ASN B 139 3.965 -13.443 5.693 1.00 19.56 C +ATOM 2128 C ASN B 139 3.788 -14.741 6.508 1.00 16.64 C +ATOM 2129 O ASN B 139 2.773 -14.813 7.122 1.00 15.66 O +ATOM 2130 CB ASN B 139 3.915 -14.281 4.273 1.00 32.30 C +ATOM 2131 CG ASN B 139 3.642 -13.817 3.893 1.00 58.46 C +ATOM 2132 OD1 ASN B 139 3.350 -12.337 3.410 1.00 49.38 O +ATOM 2133 ND2 ASN B 139 4.138 -13.358 1.997 1.00 59.02 N +ATOM 2134 N ALA B 140 4.975 -15.279 6.996 1.00 12.53 N +ATOM 2135 CA ALA B 140 4.880 -16.341 7.880 1.00 19.39 C +ATOM 2136 C ALA B 140 4.686 -15.725 9.225 1.00 15.37 C +ATOM 2137 O ALA B 140 3.890 -16.337 10.107 1.00 15.92 O +ATOM 2138 CB ALA B 140 6.298 -17.186 7.962 1.00 22.20 C +ATOM 2139 N LEU B 141 5.135 -14.663 9.697 1.00 12.47 N +ATOM 2140 CA LEU B 141 4.897 -13.957 10.913 1.00 15.63 C +ATOM 2141 C LEU B 141 3.480 -13.697 11.034 1.00 21.66 C +ATOM 2142 O LEU B 141 2.905 -13.294 12.092 1.00 17.40 O +ATOM 2143 CB LEU B 141 5.926 -12.962 11.275 1.00 15.12 C +ATOM 2144 CG LEU B 141 7.158 -13.407 11.868 1.00 17.02 C +ATOM 2145 CD1 LEU B 141 8.083 -12.226 12.076 1.00 19.94 C +ATOM 2146 CD2 LEU B 141 7.122 -13.935 13.238 1.00 21.74 C +ATOM 2147 N ALA B 142 2.836 -13.244 9.876 1.00 12.86 N +ATOM 2148 CA ALA B 142 1.608 -12.628 9.849 1.00 14.61 C +ATOM 2149 C ALA B 142 0.405 -13.995 9.823 1.00 20.31 C +ATOM 2150 O ALA B 142 -0.813 -13.424 10.022 1.00 18.06 O +ATOM 2151 CB ALA B 142 1.282 -11.676 8.702 1.00 21.40 C +ATOM 2152 N HIS B 143 0.842 -15.030 9.582 1.00 17.95 N +ATOM 2153 CA HIS B 143 0.024 -16.256 9.074 1.00 26.37 C +ATOM 2154 C HIS B 143 -1.200 -16.456 10.329 1.00 19.76 C +ATOM 2155 O HIS B 143 -2.306 -16.886 9.956 1.00 21.59 O +ATOM 2156 CB HIS B 143 0.773 -17.382 8.911 1.00 35.96 C +ATOM 2157 CG HIS B 143 -0.236 -18.629 8.237 1.00 57.59 C +ATOM 2158 ND1 HIS B 143 0.057 -19.594 9.608 1.00 48.44 N +ATOM 2159 CD2 HIS B 143 -0.841 -18.281 7.293 1.00 54.87 C +ATOM 2160 CE1 HIS B 143 -0.983 -20.316 8.077 1.00 74.03 C +ATOM 2161 NE2 HIS B 143 -1.640 -19.381 7.013 1.00 57.99 N +ATOM 2162 N LYS B 144 -0.804 -16.302 11.559 1.00 18.69 N +ATOM 2163 CA LYS B 144 -1.735 -16.737 12.588 1.00 14.86 C +ATOM 2164 C LYS B 144 -2.396 -15.617 12.962 1.00 16.55 C +ATOM 2165 O LYS B 144 -3.129 -15.705 14.113 1.00 18.03 O +ATOM 2166 CB LYS B 144 -0.819 -17.365 13.621 1.00 17.13 C +ATOM 2167 CG LYS B 144 -0.392 -18.897 13.123 1.00 20.99 C +ATOM 2168 CD LYS B 144 -1.238 -19.970 13.316 1.00 34.56 C +ATOM 2169 CE LYS B 144 -2.035 -21.775 13.683 1.00 62.41 C +ATOM 2170 NZ LYS B 144 -0.955 -22.424 15.226 1.00 62.40 N +ATOM 2171 N TYR B 145 -2.408 -14.424 12.668 1.00 19.33 N +ATOM 2172 CA TYR B 145 -3.111 -13.193 12.851 1.00 25.80 C +ATOM 2173 C TYR B 145 -4.833 -13.485 12.942 1.00 37.10 C +ATOM 2174 O TYR B 145 -4.989 -14.273 11.858 1.00 25.59 O +ATOM 2175 CB TYR B 145 -2.815 -11.990 12.502 1.00 20.19 C +ATOM 2176 CG TYR B 145 -1.513 -11.202 13.062 1.00 16.11 C +ATOM 2177 CD1 TYR B 145 -1.713 -10.043 13.732 1.00 13.84 C +ATOM 2178 CD2 TYR B 145 -0.444 -12.052 12.964 1.00 19.35 C +ATOM 2179 CE1 TYR B 145 -0.716 -9.470 14.306 1.00 14.00 C +ATOM 2180 CE2 TYR B 145 0.824 -11.431 13.760 1.00 16.15 C +ATOM 2181 CZ TYR B 145 0.705 -10.123 14.396 1.00 11.23 C +ATOM 2182 OH TYR B 145 1.824 -9.505 14.779 1.00 11.07 O +ATOM 2183 N HIS B 146 -5.455 -13.156 13.610 1.00 22.40 N +ATOM 2184 CA HIS B 146 -7.082 -13.260 13.817 1.00 24.36 C +ATOM 2185 C HIS B 146 -7.642 -12.243 14.547 1.00 19.29 C +ATOM 2186 O HIS B 146 -6.896 -11.423 15.229 1.00 20.20 O +ATOM 2187 CB HIS B 146 -7.319 -14.676 14.251 1.00 17.91 C +ATOM 2188 CG HIS B 146 -7.349 -14.408 16.278 1.00 30.29 C +ATOM 2189 ND1 HIS B 146 -7.504 -15.329 16.577 1.00 56.02 N +ATOM 2190 CD2 HIS B 146 -5.754 -14.700 16.400 1.00 32.02 C +ATOM 2191 CE1 HIS B 146 -6.763 -15.571 18.243 1.00 45.40 C +ATOM 2192 NE2 HIS B 146 -6.023 -14.569 17.782 1.00 35.25 N +ATOM 2193 OXT HIS B 146 -8.867 -12.118 14.478 1.00 28.98 O +TER 2194 HIS B 146 +ATOM 2195 N VAL C 1 -6.932 15.801 -4.736 1.00 53.78 N +ATOM 2196 CA VAL C 1 -6.986 18.132 -4.726 1.00 39.83 C +ATOM 2197 C VAL C 1 -8.725 18.013 -5.289 1.00 29.73 C +ATOM 2198 O VAL C 1 -9.322 17.317 -6.202 1.00 31.20 O +ATOM 2199 CB VAL C 1 -6.406 17.702 -5.747 1.00 52.94 C +ATOM 2200 CG1 VAL C 1 -7.045 19.788 -6.149 1.00 47.73 C +ATOM 2201 CG2 VAL C 1 -5.138 19.765 -5.197 1.00 67.01 C +ATOM 2202 N LEU C 2 -9.481 18.489 -4.357 1.00 33.50 N +ATOM 2203 CA LEU C 2 -10.829 18.318 -4.244 1.00 35.54 C +ATOM 2204 C LEU C 2 -11.593 19.461 -5.392 1.00 25.83 C +ATOM 2205 O LEU C 2 -11.224 20.587 -4.763 1.00 37.30 O +ATOM 2206 CB LEU C 2 -11.320 18.570 -2.993 1.00 38.49 C +ATOM 2207 CG LEU C 2 -11.368 17.191 -2.068 1.00 34.89 C +ATOM 2208 CD1 LEU C 2 -11.559 17.406 -0.855 1.00 40.00 C +ATOM 2209 CD2 LEU C 2 -11.556 16.072 -2.571 1.00 36.30 C +ATOM 2210 N SER C 3 -12.051 19.126 -6.445 1.00 20.82 N +ATOM 2211 CA SER C 3 -12.764 20.102 -7.265 1.00 16.99 C +ATOM 2212 C SER C 3 -13.851 20.641 -6.492 1.00 19.86 C +ATOM 2213 O SER C 3 -14.562 20.118 -5.605 1.00 23.30 O +ATOM 2214 CB SER C 3 -12.915 19.412 -8.479 1.00 21.69 C +ATOM 2215 OG SER C 3 -14.045 18.617 -8.438 1.00 24.96 O +ATOM 2216 N PRO C 4 -14.614 21.747 -7.040 1.00 27.73 N +ATOM 2217 CA PRO C 4 -15.686 22.248 -6.606 1.00 18.30 C +ATOM 2218 C PRO C 4 -16.940 21.185 -6.683 1.00 21.79 C +ATOM 2219 O PRO C 4 -17.669 21.118 -5.776 1.00 30.78 O +ATOM 2220 CB PRO C 4 -16.024 23.555 -7.534 1.00 35.17 C +ATOM 2221 CG PRO C 4 -14.548 23.940 -7.997 1.00 39.10 C +ATOM 2222 CD PRO C 4 -13.753 22.599 -7.931 1.00 33.69 C +ATOM 2223 N ALA C 5 -16.700 20.569 -7.707 1.00 20.53 N +ATOM 2224 CA ALA C 5 -17.694 19.448 -7.877 1.00 15.17 C +ATOM 2225 C ALA C 5 -17.668 18.427 -6.566 1.00 17.36 C +ATOM 2226 O ALA C 5 -18.567 17.818 -6.161 1.00 18.86 O +ATOM 2227 CB ALA C 5 -17.845 18.678 -9.144 1.00 14.70 C +ATOM 2228 N ASP C 6 -16.408 17.997 -6.530 1.00 17.28 N +ATOM 2229 CA ASP C 6 -16.090 17.056 -5.440 1.00 13.65 C +ATOM 2230 C ASP C 6 -16.737 17.558 -4.126 1.00 16.19 C +ATOM 2231 O ASP C 6 -17.234 16.746 -3.292 1.00 18.77 O +ATOM 2232 CB ASP C 6 -14.589 16.808 -5.234 1.00 14.90 C +ATOM 2233 CG ASP C 6 -14.039 15.955 -6.391 1.00 15.46 C +ATOM 2234 OD1 ASP C 6 -14.772 14.926 -6.958 1.00 20.59 O +ATOM 2235 OD2 ASP C 6 -12.866 16.168 -6.605 1.00 19.80 O +ATOM 2236 N LYS C 7 -16.400 18.816 -3.902 1.00 17.95 N +ATOM 2237 CA LYS C 7 -17.103 19.561 -2.483 1.00 25.53 C +ATOM 2238 C LYS C 7 -18.248 19.426 -2.208 1.00 19.12 C +ATOM 2239 O LYS C 7 -18.931 19.046 -1.371 1.00 19.71 O +ATOM 2240 CB LYS C 7 -16.318 20.793 -2.391 1.00 27.50 C +ATOM 2241 CG LYS C 7 -14.901 20.741 -2.614 1.00 53.71 C +ATOM 2242 CD LYS C 7 -13.993 22.186 -1.677 1.00 60.72 C +ATOM 2243 CE LYS C 7 -13.186 22.490 -2.528 1.00 63.74 C +ATOM 2244 NZ LYS C 7 -12.305 23.225 -2.858 1.00 80.12 N +ATOM 2245 N THR C 8 -18.940 19.776 -3.501 1.00 18.59 N +ATOM 2246 CA THR C 8 -20.439 19.567 -3.523 1.00 17.68 C +ATOM 2247 C THR C 8 -21.010 18.410 -3.219 1.00 15.92 C +ATOM 2248 O THR C 8 -21.956 18.189 -2.497 1.00 18.11 O +ATOM 2249 CB THR C 8 -21.005 20.281 -5.121 1.00 18.41 C +ATOM 2250 OG1 THR C 8 -20.596 21.570 -4.936 1.00 22.00 O +ATOM 2251 CG2 THR C 8 -22.332 20.382 -5.020 1.00 19.72 C +ATOM 2252 N ASN C 9 -20.389 17.337 -3.881 1.00 14.52 N +ATOM 2253 CA ASN C 9 -20.679 15.854 -3.720 1.00 11.76 C +ATOM 2254 C ASN C 9 -20.524 15.368 -2.372 1.00 13.43 C +ATOM 2255 O ASN C 9 -21.452 14.760 -1.788 1.00 14.77 O +ATOM 2256 CB ASN C 9 -19.952 14.978 -4.802 1.00 15.52 C +ATOM 2257 CG ASN C 9 -20.502 14.902 -6.224 1.00 21.23 C +ATOM 2258 OD1 ASN C 9 -21.551 15.460 -6.366 1.00 17.78 O +ATOM 2259 ND2 ASN C 9 -19.655 14.764 -7.036 1.00 16.93 N +ATOM 2260 N VAL C 10 -19.456 15.819 -1.845 1.00 15.37 N +ATOM 2261 CA VAL C 10 -19.214 15.430 -0.511 1.00 15.09 C +ATOM 2262 C VAL C 10 -20.248 16.151 0.791 1.00 19.82 C +ATOM 2263 O VAL C 10 -20.653 15.344 1.499 1.00 21.55 O +ATOM 2264 CB VAL C 10 -17.776 15.740 -0.056 1.00 23.83 C +ATOM 2265 CG1 VAL C 10 -17.369 15.319 1.491 1.00 26.38 C +ATOM 2266 CG2 VAL C 10 -16.835 14.843 -0.837 1.00 22.96 C +ATOM 2267 N LYS C 11 -20.423 17.395 0.515 1.00 19.06 N +ATOM 2268 CA LYS C 11 -21.545 18.040 1.267 1.00 21.27 C +ATOM 2269 C LYS C 11 -22.705 17.621 1.194 1.00 24.36 C +ATOM 2270 O LYS C 11 -23.497 17.219 2.050 1.00 26.88 O +ATOM 2271 CB LYS C 11 -21.200 19.455 1.180 1.00 24.11 C +ATOM 2272 CG LYS C 11 -19.982 20.187 1.471 1.00 39.96 C +ATOM 2273 CD LYS C 11 -20.184 21.708 1.326 1.00 36.60 C +ATOM 2274 CE LYS C 11 -19.119 22.424 1.599 1.00 40.99 C +ATOM 2275 NZ LYS C 11 -18.303 23.379 0.156 1.00 57.68 N +ATOM 2276 N ALA C 12 -23.071 17.255 -0.098 1.00 26.89 N +ATOM 2277 CA ALA C 12 -24.190 16.574 -0.166 1.00 22.80 C +ATOM 2278 C ALA C 12 -24.709 15.466 0.479 1.00 22.96 C +ATOM 2279 O ALA C 12 -25.641 14.894 1.303 1.00 25.17 O +ATOM 2280 CB ALA C 12 -24.758 16.354 -1.436 1.00 30.68 C +ATOM 2281 N ALA C 13 -23.698 14.326 0.213 1.00 19.81 N +ATOM 2282 CA ALA C 13 -23.581 12.980 0.775 1.00 20.52 C +ATOM 2283 C ALA C 13 -23.620 13.074 2.219 1.00 17.10 C +ATOM 2284 O ALA C 13 -24.459 12.346 2.958 1.00 22.70 O +ATOM 2285 CB ALA C 13 -22.559 12.176 0.137 1.00 20.00 C +ATOM 2286 N TRP C 14 -22.646 13.784 2.878 1.00 18.93 N +ATOM 2287 CA TRP C 14 -22.430 13.732 4.346 1.00 19.61 C +ATOM 2288 C TRP C 14 -23.567 14.473 4.894 1.00 29.50 C +ATOM 2289 O TRP C 14 -24.277 14.100 6.022 1.00 22.89 O +ATOM 2290 CB TRP C 14 -21.334 14.670 4.695 1.00 20.94 C +ATOM 2291 CG TRP C 14 -20.803 14.092 5.924 1.00 20.44 C +ATOM 2292 CD1 TRP C 14 -21.097 15.028 7.151 1.00 25.06 C +ATOM 2293 CD2 TRP C 14 -20.135 12.848 6.216 1.00 19.23 C +ATOM 2294 NE1 TRP C 14 -20.337 14.117 8.027 1.00 26.03 N +ATOM 2295 CE2 TRP C 14 -19.941 12.969 7.773 1.00 27.20 C +ATOM 2296 CE3 TRP C 14 -19.861 11.878 5.555 1.00 24.26 C +ATOM 2297 CZ2 TRP C 14 -19.510 11.822 8.284 1.00 29.42 C +ATOM 2298 CZ3 TRP C 14 -19.277 10.605 6.015 1.00 27.47 C +ATOM 2299 CH2 TRP C 14 -19.230 10.798 7.728 1.00 31.11 C +ATOM 2300 N GLY C 15 -24.359 15.298 4.516 1.00 39.26 N +ATOM 2301 CA GLY C 15 -25.631 16.086 4.525 1.00 27.60 C +ATOM 2302 C GLY C 15 -26.650 15.043 4.748 1.00 35.88 C +ATOM 2303 O GLY C 15 -27.292 14.929 6.180 1.00 44.35 O +ATOM 2304 N LYS C 16 -26.927 14.192 4.125 1.00 34.61 N +ATOM 2305 CA LYS C 16 -27.870 13.141 3.632 1.00 36.98 C +ATOM 2306 C LYS C 16 -27.538 12.020 5.023 1.00 26.09 C +ATOM 2307 O LYS C 16 -28.345 11.313 5.635 1.00 33.01 O +ATOM 2308 CB LYS C 16 -28.251 12.406 2.440 1.00 27.30 C +ATOM 2309 CG LYS C 16 -30.036 12.836 1.831 1.00 50.84 C +ATOM 2310 CD LYS C 16 -30.158 11.081 2.262 1.00 68.28 C +ATOM 2311 CE LYS C 16 -32.371 10.866 2.370 1.00 73.16 C +ATOM 2312 NZ LYS C 16 -32.038 9.453 3.272 1.00 69.52 N +ATOM 2313 N VAL C 17 -26.252 12.133 5.573 1.00 35.88 N +ATOM 2314 CA VAL C 17 -25.770 11.297 6.645 1.00 27.62 C +ATOM 2315 C VAL C 17 -26.612 11.695 7.685 1.00 30.67 C +ATOM 2316 O VAL C 17 -27.281 11.042 8.701 1.00 29.27 O +ATOM 2317 CB VAL C 17 -24.169 10.853 6.795 1.00 24.84 C +ATOM 2318 CG1 VAL C 17 -23.946 10.589 8.064 1.00 24.66 C +ATOM 2319 CG2 VAL C 17 -23.794 9.916 5.483 1.00 36.95 C +ATOM 2320 N GLY C 18 -26.104 13.085 7.958 1.00 37.42 N +ATOM 2321 CA GLY C 18 -26.962 13.614 9.161 1.00 36.79 C +ATOM 2322 C GLY C 18 -26.609 13.344 10.447 1.00 35.54 C +ATOM 2323 O GLY C 18 -25.379 12.833 10.941 1.00 34.05 O +ATOM 2324 N ALA C 19 -27.875 13.044 10.943 1.00 30.07 N +ATOM 2325 CA ALA C 19 -27.686 12.652 12.207 1.00 42.34 C +ATOM 2326 C ALA C 19 -27.441 11.246 12.497 1.00 38.75 C +ATOM 2327 O ALA C 19 -27.016 10.579 13.697 1.00 34.11 O +ATOM 2328 CB ALA C 19 -28.889 12.929 12.875 1.00 49.98 C +ATOM 2329 N HIS C 20 -27.337 10.243 11.555 1.00 27.23 N +ATOM 2330 CA HIS C 20 -26.912 8.767 11.705 1.00 31.96 C +ATOM 2331 C HIS C 20 -25.296 8.716 11.689 1.00 24.34 C +ATOM 2332 O HIS C 20 -24.833 7.499 11.716 1.00 23.07 O +ATOM 2333 CB HIS C 20 -27.281 8.149 10.528 1.00 47.99 C +ATOM 2334 CG HIS C 20 -28.926 8.104 10.076 1.00 49.70 C +ATOM 2335 ND1 HIS C 20 -29.432 7.280 11.405 1.00 46.00 N +ATOM 2336 CD2 HIS C 20 -29.730 9.020 9.630 1.00 46.72 C +ATOM 2337 CE1 HIS C 20 -31.098 7.852 11.111 1.00 49.28 C +ATOM 2338 NE2 HIS C 20 -30.830 8.671 9.800 1.00 51.94 N +ATOM 2339 N ALA C 21 -24.619 9.813 11.399 1.00 28.71 N +ATOM 2340 CA ALA C 21 -23.098 9.802 11.331 1.00 32.59 C +ATOM 2341 C ALA C 21 -22.391 9.015 12.473 1.00 33.22 C +ATOM 2342 O ALA C 21 -21.700 8.030 11.964 1.00 25.05 O +ATOM 2343 CB ALA C 21 -22.805 11.312 11.238 1.00 28.99 C +ATOM 2344 N GLY C 22 -22.670 8.973 13.605 1.00 30.50 N +ATOM 2345 CA GLY C 22 -22.269 8.117 14.625 1.00 25.20 C +ATOM 2346 C GLY C 22 -22.605 6.970 14.498 1.00 28.87 C +ATOM 2347 O GLY C 22 -21.738 5.901 14.583 1.00 21.09 O +ATOM 2348 N GLU C 23 -23.752 6.203 14.168 1.00 19.95 N +ATOM 2349 CA GLU C 23 -24.151 4.976 13.969 1.00 21.38 C +ATOM 2350 C GLU C 23 -23.181 4.329 12.723 1.00 15.02 C +ATOM 2351 O GLU C 23 -22.815 3.097 12.742 1.00 16.54 O +ATOM 2352 CB GLU C 23 -25.689 4.819 13.452 1.00 29.82 C +ATOM 2353 CG GLU C 23 -26.106 3.452 13.736 1.00 36.93 C +ATOM 2354 CD GLU C 23 -28.202 3.924 13.602 1.00 80.12 C +ATOM 2355 OE1 GLU C 23 -27.795 2.922 11.489 1.00 66.02 O +ATOM 2356 OE2 GLU C 23 -27.964 4.694 13.267 1.00 59.79 O +ATOM 2357 N TYR C 24 -23.207 5.173 11.697 1.00 21.28 N +ATOM 2358 CA TYR C 24 -22.418 4.812 10.585 1.00 19.46 C +ATOM 2359 C TYR C 24 -20.849 4.466 10.860 1.00 15.33 C +ATOM 2360 O TYR C 24 -20.148 3.754 10.360 1.00 13.77 O +ATOM 2361 CB TYR C 24 -22.651 5.606 9.406 1.00 16.14 C +ATOM 2362 CG TYR C 24 -24.080 5.727 8.793 1.00 13.71 C +ATOM 2363 CD1 TYR C 24 -24.170 6.732 7.640 1.00 24.76 C +ATOM 2364 CD2 TYR C 24 -25.002 4.824 9.337 1.00 21.84 C +ATOM 2365 CE1 TYR C 24 -25.645 6.832 7.377 1.00 25.66 C +ATOM 2366 CE2 TYR C 24 -26.453 4.934 8.784 1.00 17.49 C +ATOM 2367 CZ TYR C 24 -26.325 5.877 7.791 1.00 27.32 C +ATOM 2368 OH TYR C 24 -27.810 6.069 7.401 1.00 31.23 O +ATOM 2369 N GLY C 25 -20.290 5.421 11.638 1.00 18.29 N +ATOM 2370 CA GLY C 25 -19.027 5.388 12.069 1.00 15.33 C +ATOM 2371 C GLY C 25 -18.807 4.272 12.918 1.00 12.64 C +ATOM 2372 O GLY C 25 -17.733 3.304 12.661 1.00 15.23 O +ATOM 2373 N ALA C 26 -19.542 3.599 13.820 1.00 16.00 N +ATOM 2374 CA ALA C 26 -19.471 2.386 14.471 1.00 11.42 C +ATOM 2375 C ALA C 26 -19.307 1.193 13.564 1.00 10.94 C +ATOM 2376 O ALA C 26 -18.739 0.230 13.578 1.00 13.65 O +ATOM 2377 CB ALA C 26 -20.512 2.232 15.656 1.00 11.99 C +ATOM 2378 N GLU C 27 -20.425 1.260 12.521 1.00 12.87 N +ATOM 2379 CA GLU C 27 -20.638 0.028 11.636 1.00 15.51 C +ATOM 2380 C GLU C 27 -19.412 0.022 10.785 1.00 12.84 C +ATOM 2381 O GLU C 27 -18.849 -1.119 10.534 1.00 15.95 O +ATOM 2382 CB GLU C 27 -21.715 0.427 10.623 1.00 15.50 C +ATOM 2383 CG GLU C 27 -21.926 -0.710 9.772 1.00 17.08 C +ATOM 2384 CD GLU C 27 -23.164 -0.586 8.872 1.00 30.48 C +ATOM 2385 OE1 GLU C 27 -23.095 -0.770 7.588 1.00 18.71 O +ATOM 2386 OE2 GLU C 27 -24.194 0.119 9.312 1.00 24.16 O +ATOM 2387 N ALA C 28 -18.789 1.258 10.332 1.00 11.36 N +ATOM 2388 CA ALA C 28 -17.460 1.158 9.500 1.00 9.58 C +ATOM 2389 C ALA C 28 -16.340 0.418 10.332 1.00 9.29 C +ATOM 2390 O ALA C 28 -15.677 -0.370 9.760 1.00 12.64 O +ATOM 2391 CB ALA C 28 -17.171 2.523 9.159 1.00 13.35 C +ATOM 2392 N LEU C 29 -16.325 0.834 11.666 1.00 12.01 N +ATOM 2393 CA LEU C 29 -15.240 0.036 12.460 1.00 9.42 C +ATOM 2394 C LEU C 29 -15.351 -1.296 12.531 1.00 8.04 C +ATOM 2395 O LEU C 29 -14.557 -2.221 12.462 1.00 11.27 O +ATOM 2396 CB LEU C 29 -15.253 0.792 13.944 1.00 13.39 C +ATOM 2397 CG LEU C 29 -14.671 2.120 14.000 1.00 14.28 C +ATOM 2398 CD1 LEU C 29 -15.060 2.641 15.229 1.00 21.17 C +ATOM 2399 CD2 LEU C 29 -13.328 2.186 13.586 1.00 17.52 C +ATOM 2400 N GLU C 30 -16.582 -1.891 12.768 1.00 12.13 N +ATOM 2401 CA GLU C 30 -17.039 -3.158 12.830 1.00 15.15 C +ATOM 2402 C GLU C 30 -16.575 -3.834 11.597 1.00 15.74 C +ATOM 2403 O GLU C 30 -16.144 -4.973 11.643 1.00 15.15 O +ATOM 2404 CB GLU C 30 -18.512 -3.390 13.241 1.00 16.95 C +ATOM 2405 CG GLU C 30 -18.749 -4.796 13.397 1.00 22.01 C +ATOM 2406 CD GLU C 30 -20.492 -5.310 14.125 1.00 33.25 C +ATOM 2407 OE1 GLU C 30 -20.859 -4.170 14.215 1.00 33.78 O +ATOM 2408 OE2 GLU C 30 -20.298 -6.063 14.309 1.00 40.59 O +ATOM 2409 N ARG C 31 -17.016 -3.172 10.500 1.00 9.68 N +ATOM 2410 CA ARG C 31 -16.706 -3.791 9.173 1.00 8.70 C +ATOM 2411 C ARG C 31 -15.092 -4.029 9.070 1.00 13.62 C +ATOM 2412 O ARG C 31 -14.706 -5.080 8.618 1.00 13.67 O +ATOM 2413 CB ARG C 31 -17.211 -2.898 8.144 1.00 12.42 C +ATOM 2414 CG ARG C 31 -18.743 -3.121 7.942 1.00 11.84 C +ATOM 2415 CD ARG C 31 -19.136 -2.201 6.911 1.00 15.20 C +ATOM 2416 NE ARG C 31 -20.701 -2.256 6.631 1.00 14.19 N +ATOM 2417 CZ ARG C 31 -21.363 -3.224 5.977 1.00 11.42 C +ATOM 2418 NH1 ARG C 31 -20.645 -4.259 5.462 1.00 11.92 N +ATOM 2419 NH2 ARG C 31 -22.607 -3.167 6.110 1.00 15.15 N +ATOM 2420 N MET C 32 -14.391 -2.999 9.390 1.00 10.57 N +ATOM 2421 CA MET C 32 -12.880 -2.985 9.431 1.00 8.16 C +ATOM 2422 C MET C 32 -12.304 -4.106 10.303 1.00 7.80 C +ATOM 2423 O MET C 32 -11.482 -4.880 9.804 1.00 11.64 O +ATOM 2424 CB MET C 32 -12.387 -1.587 9.793 1.00 8.09 C +ATOM 2425 CG MET C 32 -10.949 -1.623 9.744 1.00 11.10 C +ATOM 2426 SD MET C 32 -10.226 -0.081 10.328 1.00 18.02 S +ATOM 2427 CE MET C 32 -10.638 -0.209 12.043 1.00 20.04 C +ATOM 2428 N PHE C 33 -12.802 -4.206 11.603 1.00 13.50 N +ATOM 2429 CA PHE C 33 -12.271 -5.320 12.432 1.00 12.85 C +ATOM 2430 C PHE C 33 -12.547 -6.578 11.951 1.00 15.05 C +ATOM 2431 O PHE C 33 -11.717 -7.551 12.143 1.00 13.38 O +ATOM 2432 CB PHE C 33 -12.756 -5.046 13.817 1.00 12.45 C +ATOM 2433 CG PHE C 33 -12.568 -3.710 14.467 1.00 10.81 C +ATOM 2434 CD1 PHE C 33 -11.266 -3.320 14.428 1.00 14.60 C +ATOM 2435 CD2 PHE C 33 -13.526 -3.151 15.305 1.00 15.15 C +ATOM 2436 CE1 PHE C 33 -10.894 -2.155 15.062 1.00 15.80 C +ATOM 2437 CE2 PHE C 33 -13.010 -1.947 15.768 1.00 13.43 C +ATOM 2438 CZ PHE C 33 -11.786 -1.494 15.661 1.00 22.23 C +ATOM 2439 N LEU C 34 -13.672 -6.909 11.292 1.00 11.85 N +ATOM 2440 CA LEU C 34 -14.025 -8.262 10.744 1.00 12.31 C +ATOM 2441 C LEU C 34 -13.308 -8.546 9.433 1.00 15.72 C +ATOM 2442 O LEU C 34 -12.814 -9.634 9.197 1.00 19.67 O +ATOM 2443 CB LEU C 34 -15.490 -8.519 10.506 1.00 16.89 C +ATOM 2444 CG LEU C 34 -16.308 -8.523 11.809 1.00 26.21 C +ATOM 2445 CD1 LEU C 34 -17.801 -8.703 11.585 1.00 26.59 C +ATOM 2446 CD2 LEU C 34 -15.886 -9.544 12.837 1.00 38.34 C +ATOM 2447 N SER C 35 -13.287 -7.520 8.527 1.00 12.82 N +ATOM 2448 CA SER C 35 -12.594 -7.794 7.329 1.00 10.93 C +ATOM 2449 C SER C 35 -11.162 -7.828 7.166 1.00 14.27 C +ATOM 2450 O SER C 35 -10.505 -8.327 6.376 1.00 16.71 O +ATOM 2451 CB SER C 35 -13.015 -6.732 6.237 1.00 13.98 C +ATOM 2452 OG SER C 35 -14.406 -6.851 5.967 1.00 18.75 O +ATOM 2453 N PHE C 36 -10.441 -6.974 8.104 1.00 11.09 N +ATOM 2454 CA PHE C 36 -9.024 -6.696 8.153 1.00 10.70 C +ATOM 2455 C PHE C 36 -8.606 -6.742 9.707 1.00 13.97 C +ATOM 2456 O PHE C 36 -8.344 -5.778 10.402 1.00 16.32 O +ATOM 2457 CB PHE C 36 -8.759 -5.327 7.682 1.00 12.71 C +ATOM 2458 CG PHE C 36 -9.244 -5.034 6.227 1.00 14.13 C +ATOM 2459 CD1 PHE C 36 -10.405 -4.227 6.071 1.00 14.98 C +ATOM 2460 CD2 PHE C 36 -8.716 -5.826 5.029 1.00 21.47 C +ATOM 2461 CE1 PHE C 36 -10.962 -3.950 4.805 1.00 23.41 C +ATOM 2462 CE2 PHE C 36 -9.304 -5.498 3.966 1.00 24.62 C +ATOM 2463 CZ PHE C 36 -10.428 -4.612 3.839 1.00 15.55 C +ATOM 2464 N PRO C 37 -8.487 -8.050 9.947 1.00 18.65 N +ATOM 2465 CA PRO C 37 -8.320 -8.334 11.359 1.00 17.35 C +ATOM 2466 C PRO C 37 -6.962 -7.708 12.012 1.00 18.35 C +ATOM 2467 O PRO C 37 -6.854 -7.465 13.248 1.00 14.04 O +ATOM 2468 CB PRO C 37 -8.349 -9.870 11.562 1.00 27.87 C +ATOM 2469 CG PRO C 37 -8.429 -10.372 10.373 1.00 37.42 C +ATOM 2470 CD PRO C 37 -8.767 -9.192 9.450 1.00 22.48 C +ATOM 2471 N THR C 38 -6.066 -7.410 11.173 1.00 12.63 N +ATOM 2472 CA THR C 38 -4.834 -6.636 11.753 1.00 17.25 C +ATOM 2473 C THR C 38 -5.049 -5.478 12.414 1.00 15.32 C +ATOM 2474 O THR C 38 -4.264 -5.001 13.219 1.00 11.09 O +ATOM 2475 CB THR C 38 -3.639 -7.011 10.452 1.00 12.40 C +ATOM 2476 OG1 THR C 38 -4.178 -5.757 9.596 1.00 15.33 O +ATOM 2477 CG2 THR C 38 -4.507 -7.126 9.385 1.00 80.12 C +ATOM 2478 N THR C 39 -6.072 -4.797 11.866 1.00 10.35 N +ATOM 2479 CA THR C 39 -6.458 -3.530 12.499 1.00 11.60 C +ATOM 2480 C THR C 39 -6.867 -3.675 13.987 1.00 11.25 C +ATOM 2481 O THR C 39 -6.719 -2.683 14.751 1.00 15.31 O +ATOM 2482 CB THR C 39 -7.618 -2.839 11.782 1.00 10.41 C +ATOM 2483 OG1 THR C 39 -8.902 -3.535 11.780 1.00 8.43 O +ATOM 2484 CG2 THR C 39 -7.110 -2.694 10.278 1.00 7.27 C +ATOM 2485 N LYS C 40 -7.142 -4.800 14.416 1.00 12.10 N +ATOM 2486 CA LYS C 40 -7.571 -4.948 15.946 1.00 12.37 C +ATOM 2487 C LYS C 40 -6.340 -4.815 16.822 1.00 12.69 C +ATOM 2488 O LYS C 40 -6.554 -4.646 17.995 1.00 13.50 O +ATOM 2489 CB LYS C 40 -8.135 -6.441 16.142 1.00 13.01 C +ATOM 2490 CG LYS C 40 -9.508 -6.644 15.446 1.00 16.35 C +ATOM 2491 CD LYS C 40 -9.585 -8.284 15.551 1.00 21.60 C +ATOM 2492 CE LYS C 40 -10.395 -8.518 15.432 1.00 41.58 C +ATOM 2493 NZ LYS C 40 -10.104 -10.161 15.709 1.00 24.62 N +ATOM 2494 N THR C 41 -5.213 -4.883 16.231 1.00 15.39 N +ATOM 2495 CA THR C 41 -3.858 -4.878 17.048 1.00 15.24 C +ATOM 2496 C THR C 41 -3.895 -3.538 17.513 1.00 24.53 C +ATOM 2497 O THR C 41 -3.052 -3.276 18.625 1.00 20.94 O +ATOM 2498 CB THR C 41 -2.611 -5.058 16.204 1.00 10.27 C +ATOM 2499 OG1 THR C 41 -2.473 -4.084 15.265 1.00 10.56 O +ATOM 2500 CG2 THR C 41 -2.649 -6.370 15.637 1.00 13.16 C +ATOM 2501 N TYR C 42 -4.559 -2.347 17.313 1.00 15.74 N +ATOM 2502 CA TYR C 42 -4.420 -1.045 17.757 1.00 10.60 C +ATOM 2503 C TYR C 42 -5.479 -0.829 18.921 1.00 12.75 C +ATOM 2504 O TYR C 42 -5.553 0.201 19.530 1.00 15.68 O +ATOM 2505 CB TYR C 42 -4.800 0.068 16.774 1.00 16.68 C +ATOM 2506 CG TYR C 42 -3.607 -0.087 15.746 1.00 10.99 C +ATOM 2507 CD1 TYR C 42 -2.328 0.661 16.011 1.00 17.16 C +ATOM 2508 CD2 TYR C 42 -3.699 -0.743 14.478 1.00 12.51 C +ATOM 2509 CE1 TYR C 42 -1.337 0.521 15.154 1.00 15.83 C +ATOM 2510 CE2 TYR C 42 -2.696 -0.758 13.617 1.00 12.91 C +ATOM 2511 CZ TYR C 42 -1.386 -0.114 13.943 1.00 12.97 C +ATOM 2512 OH TYR C 42 -0.401 -0.078 12.976 1.00 13.25 O +ATOM 2513 N PHE C 43 -6.271 -1.850 19.113 1.00 15.49 N +ATOM 2514 CA PHE C 43 -7.459 -1.760 20.167 1.00 17.75 C +ATOM 2515 C PHE C 43 -7.514 -3.016 21.053 1.00 20.04 C +ATOM 2516 O PHE C 43 -8.605 -3.535 21.334 1.00 17.05 O +ATOM 2517 CB PHE C 43 -8.817 -1.519 19.333 1.00 26.70 C +ATOM 2518 CG PHE C 43 -8.906 -0.392 18.437 1.00 14.42 C +ATOM 2519 CD1 PHE C 43 -8.473 -0.554 17.054 1.00 15.73 C +ATOM 2520 CD2 PHE C 43 -9.700 0.777 18.998 1.00 15.90 C +ATOM 2521 CE1 PHE C 43 -8.663 0.579 16.317 1.00 16.99 C +ATOM 2522 CE2 PHE C 43 -9.585 1.781 18.059 1.00 19.76 C +ATOM 2523 CZ PHE C 43 -9.193 1.883 16.726 1.00 10.96 C +ATOM 2524 N PRO C 44 -6.303 -3.266 21.758 1.00 17.51 N +ATOM 2525 CA PRO C 44 -6.430 -4.575 22.577 1.00 22.01 C +ATOM 2526 C PRO C 44 -7.021 -4.034 23.952 1.00 23.34 C +ATOM 2527 O PRO C 44 -7.479 -5.004 24.549 1.00 23.67 O +ATOM 2528 CB PRO C 44 -4.725 -4.600 22.823 1.00 28.76 C +ATOM 2529 CG PRO C 44 -4.302 -3.265 22.722 1.00 30.00 C +ATOM 2530 CD PRO C 44 -5.000 -2.496 21.564 1.00 18.17 C +ATOM 2531 N HIS C 45 -7.313 -2.986 24.170 1.00 23.82 N +ATOM 2532 CA HIS C 45 -8.129 -2.454 25.363 1.00 24.33 C +ATOM 2533 C HIS C 45 -9.774 -2.425 25.223 1.00 36.67 C +ATOM 2534 O HIS C 45 -10.201 -1.856 26.159 1.00 32.61 O +ATOM 2535 CB HIS C 45 -7.724 -1.122 25.714 1.00 29.73 C +ATOM 2536 CG HIS C 45 -7.512 0.207 24.830 1.00 29.43 C +ATOM 2537 ND1 HIS C 45 -6.904 -0.240 23.536 1.00 26.84 N +ATOM 2538 CD2 HIS C 45 -8.212 1.313 24.765 1.00 33.54 C +ATOM 2539 CE1 HIS C 45 -7.241 0.770 23.119 1.00 37.75 C +ATOM 2540 NE2 HIS C 45 -7.901 1.880 23.651 1.00 39.11 N +ATOM 2541 N PHE C 46 -10.097 -2.588 23.981 1.00 19.71 N +ATOM 2542 CA PHE C 46 -11.427 -2.447 23.784 1.00 16.71 C +ATOM 2543 C PHE C 46 -11.984 -3.704 23.878 1.00 21.27 C +ATOM 2544 O PHE C 46 -11.601 -4.890 23.408 1.00 23.84 O +ATOM 2545 CB PHE C 46 -11.721 -1.909 22.223 1.00 21.57 C +ATOM 2546 CG PHE C 46 -11.812 -0.571 22.355 1.00 17.89 C +ATOM 2547 CD1 PHE C 46 -12.584 0.134 21.407 1.00 29.22 C +ATOM 2548 CD2 PHE C 46 -11.092 0.466 22.932 1.00 29.35 C +ATOM 2549 CE1 PHE C 46 -12.539 1.579 21.231 1.00 23.51 C +ATOM 2550 CE2 PHE C 46 -11.283 1.342 22.737 1.00 34.19 C +ATOM 2551 CZ PHE C 46 -11.794 2.381 21.680 1.00 30.38 C +ATOM 2552 N ASP C 47 -13.484 -3.924 24.123 1.00 21.22 N +ATOM 2553 CA ASP C 47 -14.200 -5.093 23.710 1.00 21.17 C +ATOM 2554 C ASP C 47 -14.972 -4.945 22.231 1.00 15.44 C +ATOM 2555 O ASP C 47 -15.394 -3.747 22.085 1.00 19.22 O +ATOM 2556 CB ASP C 47 -15.564 -4.912 24.743 1.00 26.87 C +ATOM 2557 CG ASP C 47 -16.291 -6.456 24.524 1.00 44.60 C +ATOM 2558 OD1 ASP C 47 -16.314 -6.539 23.491 1.00 38.14 O +ATOM 2559 OD2 ASP C 47 -17.247 -6.397 25.386 1.00 35.16 O +ATOM 2560 N LEU C 48 -14.283 -5.744 21.445 1.00 20.23 N +ATOM 2561 CA LEU C 48 -14.738 -5.455 19.945 1.00 22.13 C +ATOM 2562 C LEU C 48 -15.716 -6.250 19.550 1.00 26.79 C +ATOM 2563 O LEU C 48 -16.269 -6.380 18.272 1.00 28.79 O +ATOM 2564 CB LEU C 48 -13.468 -5.863 19.207 1.00 20.10 C +ATOM 2565 CG LEU C 48 -12.283 -5.143 19.138 1.00 22.13 C +ATOM 2566 CD1 LEU C 48 -10.976 -5.443 18.455 1.00 30.66 C +ATOM 2567 CD2 LEU C 48 -12.440 -3.412 19.024 1.00 21.27 C +ATOM 2568 N SER C 49 -16.750 -6.795 20.348 1.00 29.67 N +ATOM 2569 CA SER C 49 -17.996 -7.682 20.348 1.00 26.45 C +ATOM 2570 C SER C 49 -18.688 -6.784 19.661 1.00 19.97 C +ATOM 2571 O SER C 49 -18.950 -5.536 19.662 1.00 20.96 O +ATOM 2572 CB SER C 49 -18.391 -8.577 21.574 1.00 26.72 C +ATOM 2573 OG SER C 49 -18.238 -7.994 22.499 1.00 34.29 O +ATOM 2574 N HIS C 50 -19.776 -7.581 18.833 1.00 28.23 N +ATOM 2575 CA HIS C 50 -20.784 -6.859 18.155 1.00 26.06 C +ATOM 2576 C HIS C 50 -21.742 -6.003 19.283 1.00 24.81 C +ATOM 2577 O HIS C 50 -21.976 -6.730 20.143 1.00 27.33 O +ATOM 2578 CB HIS C 50 -21.772 -7.860 17.171 1.00 33.58 C +ATOM 2579 CG HIS C 50 -22.495 -6.997 16.501 1.00 21.75 C +ATOM 2580 ND1 HIS C 50 -24.098 -7.224 16.903 1.00 37.61 N +ATOM 2581 CD2 HIS C 50 -22.721 -6.030 15.749 1.00 24.11 C +ATOM 2582 CE1 HIS C 50 -24.713 -6.289 16.301 1.00 35.12 C +ATOM 2583 NE2 HIS C 50 -23.972 -5.305 15.362 1.00 42.35 N +ATOM 2584 N GLY C 51 -21.911 -4.827 19.019 1.00 24.42 N +ATOM 2585 CA GLY C 51 -22.633 -4.098 19.831 1.00 26.56 C +ATOM 2586 C GLY C 51 -22.082 -3.387 20.930 1.00 23.39 C +ATOM 2587 O GLY C 51 -22.536 -2.501 21.731 1.00 25.53 O +ATOM 2588 N SER C 52 -20.724 -3.498 20.885 1.00 22.06 N +ATOM 2589 CA SER C 52 -19.739 -2.846 21.982 1.00 25.03 C +ATOM 2590 C SER C 52 -19.903 -1.593 22.193 1.00 31.37 C +ATOM 2591 O SER C 52 -19.945 -0.663 21.200 1.00 22.94 O +ATOM 2592 CB SER C 52 -18.376 -3.162 21.704 1.00 30.26 C +ATOM 2593 OG SER C 52 -17.567 -2.497 22.631 1.00 21.66 O +ATOM 2594 N ALA C 53 -20.311 -0.885 23.302 1.00 22.15 N +ATOM 2595 CA ALA C 53 -20.223 0.561 23.639 1.00 29.32 C +ATOM 2596 C ALA C 53 -19.008 1.341 23.195 1.00 23.50 C +ATOM 2597 O ALA C 53 -19.144 2.489 22.964 1.00 19.56 O +ATOM 2598 CB ALA C 53 -21.016 0.770 24.778 1.00 46.37 C +ATOM 2599 N GLN C 54 -18.075 0.456 23.565 1.00 20.69 N +ATOM 2600 CA GLN C 54 -16.671 1.124 23.388 1.00 22.13 C +ATOM 2601 C GLN C 54 -16.498 1.625 21.724 1.00 21.00 C +ATOM 2602 O GLN C 54 -15.986 2.677 21.452 1.00 19.66 O +ATOM 2603 CB GLN C 54 -15.533 0.388 23.780 1.00 23.01 C +ATOM 2604 CG GLN C 54 -15.387 0.264 25.146 1.00 26.98 C +ATOM 2605 CD GLN C 54 -14.244 -0.704 25.751 1.00 17.64 C +ATOM 2606 OE1 GLN C 54 -14.213 -1.867 25.317 1.00 23.97 O +ATOM 2607 NE2 GLN C 54 -13.269 -0.029 26.343 1.00 35.16 N +ATOM 2608 N VAL C 55 -16.998 0.495 20.976 1.00 18.58 N +ATOM 2609 CA VAL C 55 -16.782 0.728 19.397 1.00 18.23 C +ATOM 2610 C VAL C 55 -17.788 1.835 19.121 1.00 15.73 C +ATOM 2611 O VAL C 55 -17.557 2.638 18.250 1.00 16.15 O +ATOM 2612 CB VAL C 55 -17.023 -0.655 18.769 1.00 16.13 C +ATOM 2613 CG1 VAL C 55 -17.141 -0.282 17.289 1.00 22.56 C +ATOM 2614 CG2 VAL C 55 -15.953 -1.526 19.088 1.00 16.34 C +ATOM 2615 N LYS C 56 -19.064 1.844 19.638 1.00 17.00 N +ATOM 2616 CA LYS C 56 -20.011 2.798 19.335 1.00 18.57 C +ATOM 2617 C LYS C 56 -19.657 4.015 19.595 1.00 20.36 C +ATOM 2618 O LYS C 56 -19.638 5.117 18.950 1.00 20.10 O +ATOM 2619 CB LYS C 56 -21.306 2.565 20.099 1.00 27.04 C +ATOM 2620 CG LYS C 56 -22.017 1.239 19.517 1.00 42.35 C +ATOM 2621 CD LYS C 56 -23.983 2.334 19.796 1.00 43.36 C +ATOM 2622 CE LYS C 56 -24.238 -0.016 19.420 1.00 48.38 C +ATOM 2623 NZ LYS C 56 -25.547 0.420 20.454 1.00 67.70 N +ATOM 2624 N GLY C 57 -18.873 4.239 20.758 1.00 16.00 N +ATOM 2625 CA GLY C 57 -18.397 5.432 21.231 1.00 21.54 C +ATOM 2626 C GLY C 57 -17.299 6.086 20.387 1.00 18.61 C +ATOM 2627 O GLY C 57 -17.174 7.416 20.069 1.00 24.59 O +ATOM 2628 N HIS C 58 -16.421 5.133 20.063 1.00 15.81 N +ATOM 2629 CA HIS C 58 -15.259 5.492 19.163 1.00 16.10 C +ATOM 2630 C HIS C 58 -15.968 5.977 17.705 1.00 21.16 C +ATOM 2631 O HIS C 58 -15.334 6.873 17.165 1.00 17.74 O +ATOM 2632 CB HIS C 58 -14.298 4.450 19.037 1.00 15.43 C +ATOM 2633 CG HIS C 58 -13.084 4.816 18.336 1.00 18.98 C +ATOM 2634 ND1 HIS C 58 -12.377 5.886 18.887 1.00 21.14 N +ATOM 2635 CD2 HIS C 58 -12.537 4.339 17.359 1.00 16.95 C +ATOM 2636 CE1 HIS C 58 -11.397 5.896 17.811 1.00 21.77 C +ATOM 2637 NE2 HIS C 58 -11.418 4.951 16.789 1.00 17.45 N +ATOM 2638 N GLY C 59 -16.820 5.155 17.321 1.00 20.04 N +ATOM 2639 CA GLY C 59 -17.341 5.505 16.148 1.00 24.32 C +ATOM 2640 C GLY C 59 -18.005 6.810 15.949 1.00 16.44 C +ATOM 2641 O GLY C 59 -17.768 7.655 14.926 1.00 16.63 O +ATOM 2642 N LYS C 60 -18.641 7.304 17.045 1.00 14.40 N +ATOM 2643 CA LYS C 60 -19.047 8.674 17.195 1.00 14.87 C +ATOM 2644 C LYS C 60 -18.066 9.704 17.103 1.00 17.20 C +ATOM 2645 O LYS C 60 -18.083 10.725 16.452 1.00 19.10 O +ATOM 2646 CB LYS C 60 -20.090 8.722 18.417 1.00 20.14 C +ATOM 2647 CG LYS C 60 -20.474 10.102 18.286 1.00 36.22 C +ATOM 2648 CD LYS C 60 -21.736 10.498 19.120 1.00 67.45 C +ATOM 2649 CE LYS C 60 -22.281 11.583 18.549 1.00 61.41 C +ATOM 2650 NZ LYS C 60 -21.104 12.754 19.691 1.00 67.02 N +ATOM 2651 N LYS C 61 -16.927 9.423 17.774 1.00 17.79 N +ATOM 2652 CA LYS C 61 -15.858 10.357 17.767 1.00 21.13 C +ATOM 2653 C LYS C 61 -15.164 10.595 16.162 1.00 16.24 C +ATOM 2654 O LYS C 61 -14.881 11.695 15.808 1.00 15.80 O +ATOM 2655 CB LYS C 61 -14.696 9.830 18.603 1.00 23.05 C +ATOM 2656 CG LYS C 61 -15.062 10.074 19.860 1.00 29.48 C +ATOM 2657 CD LYS C 61 -14.168 9.693 20.841 1.00 35.76 C +ATOM 2658 CE LYS C 61 -14.859 10.184 22.437 1.00 58.26 C +ATOM 2659 NZ LYS C 61 -13.290 9.055 22.853 1.00 59.87 N +ATOM 2660 N VAL C 62 -15.053 9.278 15.522 1.00 15.31 N +ATOM 2661 CA VAL C 62 -14.623 9.355 14.153 1.00 17.56 C +ATOM 2662 C VAL C 62 -15.371 10.194 13.113 1.00 16.25 C +ATOM 2663 O VAL C 62 -15.014 11.087 12.455 1.00 13.61 O +ATOM 2664 CB VAL C 62 -14.380 7.809 13.720 1.00 18.84 C +ATOM 2665 CG1 VAL C 62 -14.183 7.763 12.290 1.00 17.19 C +ATOM 2666 CG2 VAL C 62 -13.252 7.305 14.521 1.00 18.33 C +ATOM 2667 N ALA C 63 -16.701 9.866 13.495 1.00 13.67 N +ATOM 2668 CA ALA C 63 -17.818 10.501 12.645 1.00 21.56 C +ATOM 2669 C ALA C 63 -17.715 11.855 12.728 1.00 19.04 C +ATOM 2670 O ALA C 63 -17.832 12.775 11.974 1.00 17.01 O +ATOM 2671 CB ALA C 63 -19.206 9.890 12.827 1.00 17.02 C +ATOM 2672 N ASP C 64 -17.653 12.417 13.991 1.00 16.51 N +ATOM 2673 CA ASP C 64 -17.709 13.830 14.243 1.00 19.49 C +ATOM 2674 C ASP C 64 -16.540 14.535 13.748 1.00 14.91 C +ATOM 2675 O ASP C 64 -16.584 15.604 13.224 1.00 19.95 O +ATOM 2676 CB ASP C 64 -17.991 14.096 15.799 1.00 24.76 C +ATOM 2677 CG ASP C 64 -19.393 13.818 16.643 1.00 34.25 C +ATOM 2678 OD1 ASP C 64 -20.152 13.414 15.899 1.00 28.85 O +ATOM 2679 OD2 ASP C 64 -19.056 13.688 17.650 1.00 27.13 O +ATOM 2680 N ALA C 65 -15.369 13.857 13.860 1.00 16.65 N +ATOM 2681 CA ALA C 65 -14.163 14.481 13.291 1.00 16.32 C +ATOM 2682 C ALA C 65 -14.252 14.735 11.694 1.00 13.95 C +ATOM 2683 O ALA C 65 -13.994 15.689 11.048 1.00 16.33 O +ATOM 2684 CB ALA C 65 -13.017 13.593 13.359 1.00 16.15 C +ATOM 2685 N LEU C 66 -15.064 13.712 10.969 1.00 17.13 N +ATOM 2686 CA LEU C 66 -15.337 13.726 9.525 1.00 13.55 C +ATOM 2687 C LEU C 66 -16.272 14.810 9.233 1.00 14.32 C +ATOM 2688 O LEU C 66 -16.159 15.647 8.296 1.00 15.99 O +ATOM 2689 CB LEU C 66 -15.780 12.400 8.970 1.00 12.37 C +ATOM 2690 CG LEU C 66 -14.557 11.353 8.900 1.00 14.22 C +ATOM 2691 CD1 LEU C 66 -15.162 10.177 8.798 1.00 25.53 C +ATOM 2692 CD2 LEU C 66 -13.636 11.641 7.894 1.00 14.43 C +ATOM 2693 N THR C 67 -17.292 14.977 10.145 1.00 14.80 N +ATOM 2694 CA THR C 67 -18.300 16.119 9.983 1.00 15.27 C +ATOM 2695 C THR C 67 -17.479 17.374 10.100 1.00 19.15 C +ATOM 2696 O THR C 67 -17.741 18.262 9.274 1.00 21.53 O +ATOM 2697 CB THR C 67 -19.282 15.886 11.189 1.00 13.22 C +ATOM 2698 OG1 THR C 67 -20.066 14.785 10.961 1.00 17.30 O +ATOM 2699 CG2 THR C 67 -20.207 17.226 11.132 1.00 30.44 C +ATOM 2700 N ASN C 68 -16.541 17.536 11.125 1.00 19.52 N +ATOM 2701 CA ASN C 68 -15.765 18.613 11.088 1.00 21.49 C +ATOM 2702 C ASN C 68 -14.901 18.833 9.858 1.00 19.25 C +ATOM 2703 O ASN C 68 -14.653 20.197 9.353 1.00 22.73 O +ATOM 2704 CB ASN C 68 -14.964 18.621 12.362 1.00 16.47 C +ATOM 2705 CG ASN C 68 -13.974 19.880 12.584 1.00 43.34 C +ATOM 2706 OD1 ASN C 68 -14.128 20.746 12.326 1.00 49.22 O +ATOM 2707 ND2 ASN C 68 -12.524 19.654 13.058 1.00 50.67 N +ATOM 2708 N ALA C 69 -14.378 17.793 9.402 1.00 16.22 N +ATOM 2709 CA ALA C 69 -13.526 17.929 8.006 1.00 15.27 C +ATOM 2710 C ALA C 69 -14.531 18.551 6.897 1.00 20.32 C +ATOM 2711 O ALA C 69 -13.858 19.250 6.103 1.00 22.38 O +ATOM 2712 CB ALA C 69 -12.891 16.615 7.759 1.00 15.52 C +ATOM 2713 N VAL C 70 -15.649 17.853 6.837 1.00 18.62 N +ATOM 2714 CA VAL C 70 -16.708 18.432 5.673 1.00 21.72 C +ATOM 2715 C VAL C 70 -16.947 20.121 6.025 1.00 33.94 C +ATOM 2716 O VAL C 70 -16.795 20.608 4.872 1.00 26.93 O +ATOM 2717 CB VAL C 70 -17.884 17.598 5.765 1.00 16.50 C +ATOM 2718 CG1 VAL C 70 -18.759 18.120 4.709 1.00 19.06 C +ATOM 2719 CG2 VAL C 70 -17.623 16.139 5.358 1.00 16.14 C +ATOM 2720 N ALA C 71 -17.135 20.362 6.965 1.00 27.30 N +ATOM 2721 CA ALA C 71 -17.392 21.922 7.494 1.00 22.92 C +ATOM 2722 C ALA C 71 -16.435 22.534 6.896 1.00 25.79 C +ATOM 2723 O ALA C 71 -16.374 23.836 6.718 1.00 24.88 O +ATOM 2724 CB ALA C 71 -17.865 21.980 8.684 1.00 26.73 C +ATOM 2725 N HIS C 72 -15.134 22.254 6.980 1.00 25.11 N +ATOM 2726 CA HIS C 72 -13.948 22.613 6.662 1.00 31.54 C +ATOM 2727 C HIS C 72 -13.174 22.493 5.762 1.00 23.73 C +ATOM 2728 O HIS C 72 -11.739 22.306 5.638 1.00 26.60 O +ATOM 2729 CB HIS C 72 -12.834 22.798 8.133 1.00 34.18 C +ATOM 2730 CG HIS C 72 -13.458 23.235 9.080 1.00 46.84 C +ATOM 2731 ND1 HIS C 72 -13.546 24.937 9.646 1.00 41.84 N +ATOM 2732 CD2 HIS C 72 -14.636 22.949 10.155 1.00 36.64 C +ATOM 2733 CE1 HIS C 72 -14.088 24.896 10.559 1.00 46.81 C +ATOM 2734 NE2 HIS C 72 -14.920 23.926 11.193 1.00 49.65 N +ATOM 2735 N VAL C 73 -13.783 21.917 4.647 1.00 19.28 N +ATOM 2736 CA VAL C 73 -13.123 21.287 3.673 1.00 19.45 C +ATOM 2737 C VAL C 73 -11.827 22.122 2.987 1.00 29.84 C +ATOM 2738 O VAL C 73 -10.987 21.361 2.509 1.00 35.51 O +ATOM 2739 CB VAL C 73 -14.122 20.427 2.448 1.00 30.11 C +ATOM 2740 CG1 VAL C 73 -14.780 21.629 2.180 1.00 33.72 C +ATOM 2741 CG2 VAL C 73 -13.307 19.397 1.916 1.00 28.74 C +ATOM 2742 N ASP C 74 -12.046 23.454 3.145 1.00 28.51 N +ATOM 2743 CA ASP C 74 -10.850 24.295 2.500 1.00 28.33 C +ATOM 2744 C ASP C 74 -9.537 24.483 3.294 1.00 41.00 C +ATOM 2745 O ASP C 74 -8.999 25.130 2.953 1.00 39.68 O +ATOM 2746 CB ASP C 74 -11.641 25.551 2.038 1.00 34.16 C +ATOM 2747 CG ASP C 74 -12.636 25.691 1.138 1.00 52.11 C +ATOM 2748 OD1 ASP C 74 -12.809 24.845 -0.109 1.00 41.95 O +ATOM 2749 OD2 ASP C 74 -13.725 26.027 1.050 1.00 57.27 O +ATOM 2750 N ASP C 75 -9.900 24.071 4.497 1.00 29.36 N +ATOM 2751 CA ASP C 75 -8.638 24.283 5.628 1.00 35.73 C +ATOM 2752 C ASP C 75 -9.022 23.128 6.558 1.00 33.10 C +ATOM 2753 O ASP C 75 -8.649 23.257 7.697 1.00 33.04 O +ATOM 2754 CB ASP C 75 -9.160 25.604 6.376 1.00 60.97 C +ATOM 2755 CG ASP C 75 -8.310 26.492 7.214 1.00 66.84 C +ATOM 2756 OD1 ASP C 75 -7.090 26.471 6.833 1.00 48.92 O +ATOM 2757 OD2 ASP C 75 -9.269 26.482 8.164 1.00 62.98 O +ATOM 2758 N MET C 76 -8.644 21.799 5.775 1.00 27.58 N +ATOM 2759 CA MET C 76 -8.452 20.656 6.738 1.00 27.89 C +ATOM 2760 C MET C 76 -7.374 20.534 7.506 1.00 27.58 C +ATOM 2761 O MET C 76 -7.529 20.166 8.646 1.00 20.50 O +ATOM 2762 CB MET C 76 -8.792 19.438 5.724 1.00 26.12 C +ATOM 2763 CG MET C 76 -10.257 19.383 5.400 1.00 43.36 C +ATOM 2764 SD MET C 76 -10.271 17.473 4.652 1.00 37.03 S +ATOM 2765 CE MET C 76 -9.415 17.721 3.291 1.00 44.39 C +ATOM 2766 N PRO C 77 -6.212 20.856 6.950 1.00 20.45 N +ATOM 2767 CA PRO C 77 -5.120 20.876 8.013 1.00 25.45 C +ATOM 2768 C PRO C 77 -5.008 21.386 9.255 1.00 36.43 C +ATOM 2769 O PRO C 77 -4.686 20.931 10.357 1.00 30.57 O +ATOM 2770 CB PRO C 77 -3.910 21.274 7.011 1.00 26.13 C +ATOM 2771 CG PRO C 77 -4.232 21.298 5.608 1.00 24.41 C +ATOM 2772 CD PRO C 77 -5.794 21.507 5.765 1.00 18.39 C +ATOM 2773 N ASN C 78 -5.556 22.597 9.438 1.00 27.78 N +ATOM 2774 CA ASN C 78 -6.067 23.245 10.604 1.00 53.47 C +ATOM 2775 C ASN C 78 -6.714 22.831 11.450 1.00 25.06 C +ATOM 2776 O ASN C 78 -6.836 22.551 12.629 1.00 27.11 O +ATOM 2777 CB ASN C 78 -5.848 24.913 10.378 1.00 49.62 C +ATOM 2778 CG ASN C 78 -5.937 25.817 11.891 1.00 27.09 C +ATOM 2779 OD1 ASN C 78 -5.094 25.489 12.673 1.00 25.78 O +ATOM 2780 ND2 ASN C 78 -7.164 26.163 12.327 1.00 30.98 N +ATOM 2781 N ALA C 79 -8.038 22.510 10.822 1.00 21.32 N +ATOM 2782 CA ALA C 79 -9.063 21.943 11.591 1.00 21.47 C +ATOM 2783 C ALA C 79 -8.803 20.510 12.317 1.00 24.81 C +ATOM 2784 O ALA C 79 -9.440 20.242 13.323 1.00 25.13 O +ATOM 2785 CB ALA C 79 -10.333 21.459 10.764 1.00 25.42 C +ATOM 2786 N LEU C 80 -8.034 19.757 11.542 1.00 14.71 N +ATOM 2787 CA LEU C 80 -7.693 18.364 12.080 1.00 14.80 C +ATOM 2788 C LEU C 80 -6.147 18.320 12.632 1.00 13.69 C +ATOM 2789 O LEU C 80 -5.765 17.251 13.012 1.00 17.02 O +ATOM 2790 CB LEU C 80 -7.618 17.425 10.975 1.00 23.31 C +ATOM 2791 CG LEU C 80 -9.017 17.241 10.096 1.00 28.90 C +ATOM 2792 CD1 LEU C 80 -8.888 16.179 9.066 1.00 22.59 C +ATOM 2793 CD2 LEU C 80 -9.912 16.862 11.126 1.00 28.24 C +ATOM 2794 N SER C 81 -5.642 19.595 13.022 1.00 15.20 N +ATOM 2795 CA SER C 81 -4.176 19.598 13.532 1.00 16.69 C +ATOM 2796 C SER C 81 -4.082 18.751 14.821 1.00 15.66 C +ATOM 2797 O SER C 81 -3.121 18.036 14.913 1.00 18.30 O +ATOM 2798 CB SER C 81 -4.200 21.212 13.927 1.00 20.04 C +ATOM 2799 OG SER C 81 -2.662 21.194 13.956 1.00 27.86 O +ATOM 2800 N ALA C 82 -4.975 18.951 15.740 1.00 16.14 N +ATOM 2801 CA ALA C 82 -4.666 18.152 16.940 1.00 27.63 C +ATOM 2802 C ALA C 82 -4.666 16.766 16.844 1.00 26.48 C +ATOM 2803 O ALA C 82 -4.201 15.804 17.443 1.00 22.53 O +ATOM 2804 CB ALA C 82 -5.631 18.625 18.033 1.00 26.01 C +ATOM 2805 N LEU C 83 -5.794 16.171 15.738 1.00 16.69 N +ATOM 2806 CA LEU C 83 -5.833 14.767 15.713 1.00 11.24 C +ATOM 2807 C LEU C 83 -4.721 14.342 14.699 1.00 14.18 C +ATOM 2808 O LEU C 83 -4.218 13.107 15.018 1.00 18.82 O +ATOM 2809 CB LEU C 83 -7.049 14.621 14.641 1.00 19.57 C +ATOM 2810 CG LEU C 83 -8.323 14.343 15.598 1.00 31.08 C +ATOM 2811 CD1 LEU C 83 -9.453 13.945 14.510 1.00 37.56 C +ATOM 2812 CD2 LEU C 83 -8.174 13.408 16.783 1.00 31.25 C +ATOM 2813 N SER C 84 -4.154 15.133 13.918 1.00 17.80 N +ATOM 2814 CA SER C 84 -2.888 14.776 13.267 1.00 16.31 C +ATOM 2815 C SER C 84 -1.740 14.590 14.181 1.00 16.72 C +ATOM 2816 O SER C 84 -0.882 13.728 14.196 1.00 20.08 O +ATOM 2817 CB SER C 84 -1.928 15.701 12.069 1.00 25.74 C +ATOM 2818 OG SER C 84 -2.988 16.059 11.690 1.00 36.74 O +ATOM 2819 N ASP C 85 -1.671 15.596 15.245 1.00 14.56 N +ATOM 2820 CA ASP C 85 -0.682 15.299 16.354 1.00 16.51 C +ATOM 2821 C ASP C 85 -0.794 14.103 17.109 1.00 12.46 C +ATOM 2822 O ASP C 85 0.064 13.405 17.411 1.00 15.88 O +ATOM 2823 CB ASP C 85 -0.758 16.459 17.195 1.00 24.70 C +ATOM 2824 CG ASP C 85 -0.167 17.721 16.629 1.00 34.11 C +ATOM 2825 OD1 ASP C 85 0.446 17.900 15.796 1.00 25.15 O +ATOM 2826 OD2 ASP C 85 -0.625 18.754 17.406 1.00 33.76 O +ATOM 2827 N LEU C 86 -2.190 13.771 17.337 1.00 12.70 N +ATOM 2828 CA LEU C 86 -2.467 12.693 18.111 1.00 16.53 C +ATOM 2829 C LEU C 86 -2.015 11.303 17.695 1.00 14.13 C +ATOM 2830 O LEU C 86 -1.425 10.432 18.116 1.00 17.79 O +ATOM 2831 CB LEU C 86 -3.980 12.638 18.447 1.00 18.93 C +ATOM 2832 CG LEU C 86 -4.506 11.657 19.521 1.00 29.36 C +ATOM 2833 CD1 LEU C 86 -3.802 11.791 20.879 1.00 25.18 C +ATOM 2834 CD2 LEU C 86 -5.938 11.585 19.602 1.00 37.62 C +ATOM 2835 N HIS C 87 -2.350 11.290 16.308 1.00 15.64 N +ATOM 2836 CA HIS C 87 -2.196 9.988 15.684 1.00 15.27 C +ATOM 2837 C HIS C 87 -0.432 9.776 15.294 1.00 11.96 C +ATOM 2838 O HIS C 87 -0.010 8.655 15.509 1.00 15.54 O +ATOM 2839 CB HIS C 87 -2.877 9.761 14.248 1.00 15.31 C +ATOM 2840 CG HIS C 87 -4.370 9.569 14.496 1.00 12.16 C +ATOM 2841 ND1 HIS C 87 -5.204 10.514 14.931 1.00 15.96 N +ATOM 2842 CD2 HIS C 87 -5.162 8.339 14.571 1.00 14.58 C +ATOM 2843 CE1 HIS C 87 -6.508 9.921 15.132 1.00 13.46 C +ATOM 2844 NE2 HIS C 87 -6.403 8.796 14.850 1.00 17.27 N +ATOM 2845 N ALA C 88 0.106 11.030 15.024 1.00 14.25 N +ATOM 2846 CA ALA C 88 1.440 11.027 14.747 1.00 15.37 C +ATOM 2847 C ALA C 88 2.402 10.439 15.994 1.00 19.72 C +ATOM 2848 O ALA C 88 3.419 9.888 15.742 1.00 18.60 O +ATOM 2849 CB ALA C 88 2.009 12.263 14.095 1.00 17.41 C +ATOM 2850 N HIS C 89 2.139 11.270 17.065 1.00 17.52 N +ATOM 2851 CA HIS C 89 2.856 11.246 18.393 1.00 20.01 C +ATOM 2852 C HIS C 89 2.445 10.295 19.376 1.00 19.52 C +ATOM 2853 O HIS C 89 3.400 9.856 20.127 1.00 22.69 O +ATOM 2854 CB HIS C 89 3.204 12.750 18.766 1.00 26.82 C +ATOM 2855 CG HIS C 89 3.898 13.462 17.550 1.00 23.76 C +ATOM 2856 ND1 HIS C 89 5.028 13.110 16.879 1.00 28.14 N +ATOM 2857 CD2 HIS C 89 3.344 14.574 17.213 1.00 25.55 C +ATOM 2858 CE1 HIS C 89 4.845 14.030 16.064 1.00 32.36 C +ATOM 2859 NE2 HIS C 89 4.173 15.010 16.064 1.00 29.26 N +ATOM 2860 N LYS C 90 1.340 9.800 19.443 1.00 16.72 N +ATOM 2861 CA LYS C 90 0.718 9.223 20.440 1.00 20.32 C +ATOM 2862 C LYS C 90 0.299 7.707 20.002 1.00 20.91 C +ATOM 2863 O LYS C 90 0.862 6.631 20.320 1.00 23.22 O +ATOM 2864 CB LYS C 90 -0.138 9.844 21.447 1.00 20.81 C +ATOM 2865 CG LYS C 90 -0.560 8.580 22.285 1.00 29.14 C +ATOM 2866 CD LYS C 90 -1.751 9.734 23.205 1.00 67.74 C +ATOM 2867 CE LYS C 90 -1.793 8.441 24.607 1.00 66.29 C +ATOM 2868 NZ LYS C 90 -1.676 10.047 25.898 1.00 56.99 N +ATOM 2869 N LEU C 91 -0.852 7.689 19.140 1.00 13.37 N +ATOM 2870 CA LEU C 91 -1.388 6.384 18.683 1.00 10.47 C +ATOM 2871 C LEU C 91 -0.395 5.670 17.757 1.00 15.87 C +ATOM 2872 O LEU C 91 -0.337 4.504 17.810 1.00 17.45 O +ATOM 2873 CB LEU C 91 -2.734 6.916 18.060 1.00 11.80 C +ATOM 2874 CG LEU C 91 -3.503 7.677 18.936 1.00 14.59 C +ATOM 2875 CD1 LEU C 91 -4.817 8.063 18.135 1.00 18.31 C +ATOM 2876 CD2 LEU C 91 -3.927 6.656 20.006 1.00 19.42 C +ATOM 2877 N ARG C 92 0.163 6.386 16.757 1.00 17.30 N +ATOM 2878 CA ARG C 92 1.225 5.888 15.973 1.00 16.69 C +ATOM 2879 C ARG C 92 0.801 4.590 15.144 1.00 18.80 C +ATOM 2880 O ARG C 92 1.289 3.690 14.985 1.00 19.26 O +ATOM 2881 CB ARG C 92 2.462 5.556 16.835 1.00 13.64 C +ATOM 2882 CG ARG C 92 3.207 6.871 17.042 1.00 14.42 C +ATOM 2883 CD ARG C 92 4.320 6.680 18.089 1.00 27.16 C +ATOM 2884 NE ARG C 92 4.955 7.507 17.826 1.00 44.94 N +ATOM 2885 CZ ARG C 92 5.808 6.749 20.563 1.00 38.22 C +ATOM 2886 NH1 ARG C 92 4.053 6.376 21.084 1.00 33.94 N +ATOM 2887 NH2 ARG C 92 6.026 7.349 19.817 1.00 48.21 N +ATOM 2888 N VAL C 93 -0.511 4.844 14.546 1.00 13.36 N +ATOM 2889 CA VAL C 93 -1.122 3.790 13.672 1.00 14.31 C +ATOM 2890 C VAL C 93 -0.425 3.861 12.310 1.00 12.63 C +ATOM 2891 O VAL C 93 -0.266 4.875 11.618 1.00 14.78 O +ATOM 2892 CB VAL C 93 -2.622 4.322 13.422 1.00 8.72 C +ATOM 2893 CG1 VAL C 93 -3.298 3.413 12.409 1.00 14.83 C +ATOM 2894 CG2 VAL C 93 -3.256 4.402 14.761 1.00 15.34 C +ATOM 2895 N ASP C 94 -0.069 2.672 11.865 1.00 14.84 N +ATOM 2896 CA ASP C 94 0.516 2.634 10.645 1.00 17.19 C +ATOM 2897 C ASP C 94 -0.337 3.187 9.492 1.00 13.94 C +ATOM 2898 O ASP C 94 -1.496 2.844 9.436 1.00 13.55 O +ATOM 2899 CB ASP C 94 1.001 1.175 10.166 1.00 19.19 C +ATOM 2900 CG ASP C 94 2.066 1.114 9.015 1.00 25.98 C +ATOM 2901 OD1 ASP C 94 3.132 1.101 9.167 1.00 23.44 O +ATOM 2902 OD2 ASP C 94 1.457 1.246 7.818 1.00 20.10 O +ATOM 2903 N PRO C 95 0.336 3.997 8.656 1.00 13.43 N +ATOM 2904 CA PRO C 95 -0.533 4.680 7.482 1.00 16.10 C +ATOM 2905 C PRO C 95 -1.120 3.788 6.667 1.00 11.12 C +ATOM 2906 O PRO C 95 -2.331 4.229 6.243 1.00 14.55 O +ATOM 2907 CB PRO C 95 0.512 5.399 6.750 1.00 19.09 C +ATOM 2908 CG PRO C 95 1.437 5.610 7.677 1.00 18.28 C +ATOM 2909 CD PRO C 95 1.704 4.489 8.616 1.00 15.64 C +ATOM 2910 N VAL C 96 -0.975 2.426 6.418 1.00 15.60 N +ATOM 2911 CA VAL C 96 -1.688 1.553 5.597 1.00 13.24 C +ATOM 2912 C VAL C 96 -3.093 1.373 6.108 1.00 11.50 C +ATOM 2913 O VAL C 96 -4.125 1.168 5.337 1.00 13.19 O +ATOM 2914 CB VAL C 96 -0.963 0.166 5.595 1.00 20.64 C +ATOM 2915 CG1 VAL C 96 0.380 0.545 5.130 1.00 37.75 C +ATOM 2916 CG2 VAL C 96 -0.986 -0.723 6.614 1.00 28.85 C +ATOM 2917 N ASN C 97 -3.362 1.525 7.446 1.00 9.54 N +ATOM 2918 CA ASN C 97 -4.626 1.297 7.971 1.00 11.68 C +ATOM 2919 C ASN C 97 -5.641 2.261 7.562 1.00 9.63 C +ATOM 2920 O ASN C 97 -6.898 1.950 7.745 1.00 9.95 O +ATOM 2921 CB ASN C 97 -4.431 1.174 9.336 1.00 13.42 C +ATOM 2922 CG ASN C 97 -3.599 -0.084 9.836 1.00 14.06 C +ATOM 2923 OD1 ASN C 97 -3.997 -1.327 9.652 1.00 8.45 O +ATOM 2924 ND2 ASN C 97 -2.374 0.157 10.197 1.00 18.92 N +ATOM 2925 N PHE C 98 -5.236 3.438 7.306 1.00 11.20 N +ATOM 2926 CA PHE C 98 -6.082 4.528 6.931 1.00 10.00 C +ATOM 2927 C PHE C 98 -6.998 4.116 5.628 1.00 12.29 C +ATOM 2928 O PHE C 98 -8.203 4.405 5.580 1.00 11.85 O +ATOM 2929 CB PHE C 98 -5.520 5.917 6.784 1.00 11.84 C +ATOM 2930 CG PHE C 98 -4.966 6.392 8.161 1.00 10.85 C +ATOM 2931 CD1 PHE C 98 -5.796 7.234 8.908 1.00 20.50 C +ATOM 2932 CD2 PHE C 98 -3.900 5.913 8.688 1.00 15.66 C +ATOM 2933 CE1 PHE C 98 -5.555 7.714 10.141 1.00 25.62 C +ATOM 2934 CE2 PHE C 98 -3.735 6.528 10.021 1.00 23.17 C +ATOM 2935 CZ PHE C 98 -4.378 7.442 10.790 1.00 16.17 C +ATOM 2936 N LYS C 99 -6.268 3.417 4.783 1.00 12.40 N +ATOM 2937 CA LYS C 99 -6.999 2.958 3.593 1.00 16.89 C +ATOM 2938 C LYS C 99 -8.208 2.150 3.790 1.00 16.36 C +ATOM 2939 O LYS C 99 -9.081 1.954 3.131 1.00 12.00 O +ATOM 2940 CB LYS C 99 -5.965 2.519 2.404 1.00 37.75 C +ATOM 2941 CG LYS C 99 -5.634 1.867 2.299 1.00 60.42 C +ATOM 2942 CD LYS C 99 -4.523 1.328 0.960 1.00 80.12 C +ATOM 2943 CE LYS C 99 -5.145 -0.811 1.345 1.00 54.41 C +ATOM 2944 NZ LYS C 99 -4.072 -1.896 0.975 1.00 73.17 N +ATOM 2945 N LEU C 100 -7.771 1.248 4.812 1.00 11.58 N +ATOM 2946 CA LEU C 100 -8.668 0.083 5.298 1.00 10.08 C +ATOM 2947 C LEU C 100 -9.923 0.739 5.824 1.00 15.81 C +ATOM 2948 O LEU C 100 -11.033 0.328 5.495 1.00 12.64 O +ATOM 2949 CB LEU C 100 -7.919 -0.962 6.095 1.00 11.52 C +ATOM 2950 CG LEU C 100 -6.700 -1.456 5.659 1.00 12.29 C +ATOM 2951 CD1 LEU C 100 -6.140 -2.487 6.602 1.00 13.43 C +ATOM 2952 CD2 LEU C 100 -6.937 -2.037 4.366 1.00 20.82 C +ATOM 2953 N LEU C 101 -9.764 1.698 6.763 1.00 9.97 N +ATOM 2954 CA LEU C 101 -10.983 2.177 7.355 1.00 11.48 C +ATOM 2955 C LEU C 101 -11.756 3.062 6.216 1.00 15.63 C +ATOM 2956 O LEU C 101 -12.976 2.978 6.299 1.00 14.14 O +ATOM 2957 CB LEU C 101 -10.599 3.208 8.498 1.00 14.89 C +ATOM 2958 CG LEU C 101 -11.670 3.902 9.072 1.00 22.22 C +ATOM 2959 CD1 LEU C 101 -12.818 2.883 9.487 1.00 22.49 C +ATOM 2960 CD2 LEU C 101 -11.241 4.642 10.285 1.00 23.89 C +ATOM 2961 N SER C 102 -11.033 3.737 5.313 1.00 13.80 N +ATOM 2962 CA SER C 102 -11.714 4.605 4.376 1.00 7.27 C +ATOM 2963 C SER C 102 -12.532 3.565 3.508 1.00 8.13 C +ATOM 2964 O SER C 102 -13.716 4.048 3.196 1.00 14.48 O +ATOM 2965 CB SER C 102 -10.627 5.223 3.513 1.00 12.53 C +ATOM 2966 OG SER C 102 -9.908 6.246 4.205 1.00 16.99 O +ATOM 2967 N HIS C 103 -12.013 2.448 3.076 1.00 9.47 N +ATOM 2968 CA HIS C 103 -12.856 1.553 2.231 1.00 7.87 C +ATOM 2969 C HIS C 103 -13.969 1.179 3.005 1.00 9.96 C +ATOM 2970 O HIS C 103 -15.145 1.064 2.463 1.00 11.06 O +ATOM 2971 CB HIS C 103 -12.045 0.334 2.007 1.00 13.28 C +ATOM 2972 CG HIS C 103 -12.687 -0.723 1.251 1.00 12.69 C +ATOM 2973 ND1 HIS C 103 -12.940 -2.084 2.021 1.00 13.59 N +ATOM 2974 CD2 HIS C 103 -13.286 -0.768 0.111 1.00 11.80 C +ATOM 2975 CE1 HIS C 103 -13.607 -2.702 0.895 1.00 18.03 C +ATOM 2976 NE2 HIS C 103 -13.846 -2.052 -0.281 1.00 12.75 N +ATOM 2977 N CYS C 104 -13.956 0.809 4.281 1.00 11.32 N +ATOM 2978 CA CYS C 104 -15.102 0.402 5.220 1.00 10.36 C +ATOM 2979 C CYS C 104 -16.128 1.576 5.312 1.00 10.40 C +ATOM 2980 O CYS C 104 -17.326 1.230 5.408 1.00 13.45 O +ATOM 2981 CB CYS C 104 -14.679 -0.210 6.511 1.00 10.60 C +ATOM 2982 SG CYS C 104 -13.758 -1.766 6.256 1.00 14.84 S +ATOM 2983 N LEU C 105 -15.610 2.759 5.400 1.00 7.19 N +ATOM 2984 CA LEU C 105 -16.550 3.718 5.401 1.00 7.94 C +ATOM 2985 C LEU C 105 -17.308 3.811 4.064 1.00 12.20 C +ATOM 2986 O LEU C 105 -18.557 4.127 4.121 1.00 10.34 O +ATOM 2987 CB LEU C 105 -15.878 5.040 5.656 1.00 21.49 C +ATOM 2988 CG LEU C 105 -16.527 6.202 6.207 1.00 44.61 C +ATOM 2989 CD1 LEU C 105 -16.548 5.934 7.976 1.00 29.90 C +ATOM 2990 CD2 LEU C 105 -14.638 7.055 6.645 1.00 67.41 C +ATOM 2991 N LEU C 106 -16.563 3.801 3.055 1.00 12.01 N +ATOM 2992 CA LEU C 106 -17.399 3.653 1.720 1.00 11.59 C +ATOM 2993 C LEU C 106 -18.331 2.701 1.716 1.00 13.18 C +ATOM 2994 O LEU C 106 -19.445 3.007 1.174 1.00 13.67 O +ATOM 2995 CB LEU C 106 -16.393 3.784 0.463 1.00 15.01 C +ATOM 2996 CG LEU C 106 -15.665 4.920 0.043 1.00 26.98 C +ATOM 2997 CD1 LEU C 106 -14.786 4.477 -0.938 1.00 27.15 C +ATOM 2998 CD2 LEU C 106 -16.427 6.222 -0.197 1.00 28.82 C +ATOM 2999 N VAL C 107 -18.135 1.497 2.015 1.00 9.69 N +ATOM 3000 CA VAL C 107 -18.836 0.268 2.127 1.00 13.59 C +ATOM 3001 C VAL C 107 -20.197 0.605 2.883 1.00 17.84 C +ATOM 3002 O VAL C 107 -21.451 0.519 2.577 1.00 16.17 O +ATOM 3003 CB VAL C 107 -18.247 -1.024 2.534 1.00 6.66 C +ATOM 3004 CG1 VAL C 107 -19.313 -1.975 2.757 1.00 10.41 C +ATOM 3005 CG2 VAL C 107 -17.243 -1.377 1.493 1.00 9.95 C +ATOM 3006 N THR C 108 -20.022 1.317 4.069 1.00 12.50 N +ATOM 3007 CA THR C 108 -21.156 1.586 4.961 1.00 12.00 C +ATOM 3008 C THR C 108 -22.004 2.672 4.235 1.00 8.53 C +ATOM 3009 O THR C 108 -23.266 2.600 4.430 1.00 13.95 O +ATOM 3010 CB THR C 108 -20.489 2.175 6.313 1.00 10.15 C +ATOM 3011 OG1 THR C 108 -19.618 1.211 6.782 1.00 10.65 O +ATOM 3012 CG2 THR C 108 -21.574 2.581 7.303 1.00 9.30 C +ATOM 3013 N LEU C 109 -21.432 3.696 3.675 1.00 9.01 N +ATOM 3014 CA LEU C 109 -22.256 4.765 2.941 1.00 9.31 C +ATOM 3015 C LEU C 109 -23.120 4.001 2.078 1.00 15.85 C +ATOM 3016 O LEU C 109 -24.157 4.405 1.752 1.00 14.26 O +ATOM 3017 CB LEU C 109 -21.296 5.848 2.566 1.00 11.02 C +ATOM 3018 CG LEU C 109 -20.716 6.843 3.619 1.00 19.91 C +ATOM 3019 CD1 LEU C 109 -19.558 7.677 2.954 1.00 29.96 C +ATOM 3020 CD2 LEU C 109 -21.630 7.225 4.484 1.00 27.29 C +ATOM 3021 N ALA C 110 -22.355 3.185 1.097 1.00 14.51 N +ATOM 3022 CA ALA C 110 -22.975 2.438 -0.100 1.00 13.69 C +ATOM 3023 C ALA C 110 -24.179 1.916 0.467 1.00 24.66 C +ATOM 3024 O ALA C 110 -25.339 1.691 -0.205 1.00 18.31 O +ATOM 3025 CB ALA C 110 -21.958 1.541 -0.721 1.00 13.14 C +ATOM 3026 N ALA C 111 -24.108 1.069 1.636 1.00 17.30 N +ATOM 3027 CA ALA C 111 -25.131 0.205 2.227 1.00 14.98 C +ATOM 3028 C ALA C 111 -26.406 1.141 2.649 1.00 17.59 C +ATOM 3029 O ALA C 111 -27.374 0.392 2.964 1.00 18.70 O +ATOM 3030 CB ALA C 111 -24.528 -0.603 3.334 1.00 14.01 C +ATOM 3031 N HIS C 112 -26.145 2.311 3.092 1.00 17.57 N +ATOM 3032 CA HIS C 112 -27.157 3.218 3.684 1.00 17.81 C +ATOM 3033 C HIS C 112 -27.592 4.143 2.662 1.00 23.35 C +ATOM 3034 O HIS C 112 -28.643 4.846 3.027 1.00 25.70 O +ATOM 3035 CB HIS C 112 -26.632 3.907 4.985 1.00 19.09 C +ATOM 3036 CG HIS C 112 -26.731 2.953 5.878 1.00 25.33 C +ATOM 3037 ND1 HIS C 112 -25.315 2.095 6.535 1.00 35.05 N +ATOM 3038 CD2 HIS C 112 -27.507 2.446 6.914 1.00 26.57 C +ATOM 3039 CE1 HIS C 112 -25.696 1.397 7.484 1.00 18.65 C +ATOM 3040 NE2 HIS C 112 -27.041 1.550 7.786 1.00 32.92 N +ATOM 3041 N LEU C 113 -27.112 4.669 1.736 1.00 23.20 N +ATOM 3042 CA LEU C 113 -27.336 5.646 0.694 1.00 19.73 C +ATOM 3043 C LEU C 113 -27.527 4.917 -0.780 1.00 24.44 C +ATOM 3044 O LEU C 113 -26.931 5.709 -1.436 1.00 27.49 O +ATOM 3045 CB LEU C 113 -26.346 6.534 0.722 1.00 30.36 C +ATOM 3046 CG LEU C 113 -26.291 7.305 1.871 1.00 29.78 C +ATOM 3047 CD1 LEU C 113 -24.949 8.197 1.187 1.00 35.69 C +ATOM 3048 CD2 LEU C 113 -27.165 7.743 2.593 1.00 47.79 C +ATOM 3049 N PRO C 114 -28.533 4.269 -1.071 1.00 23.63 N +ATOM 3050 CA PRO C 114 -28.972 3.222 -2.364 1.00 26.62 C +ATOM 3051 C PRO C 114 -29.185 4.694 -3.555 1.00 35.32 C +ATOM 3052 O PRO C 114 -28.033 5.030 -4.238 1.00 38.93 O +ATOM 3053 CB PRO C 114 -29.692 2.344 -1.692 1.00 32.82 C +ATOM 3054 CG PRO C 114 -30.705 3.466 -1.031 1.00 48.45 C +ATOM 3055 CD PRO C 114 -29.572 3.964 0.093 1.00 44.41 C +ATOM 3056 N ALA C 115 -29.614 5.816 -3.110 1.00 34.13 N +ATOM 3057 CA ALA C 115 -29.733 6.788 -3.943 1.00 25.13 C +ATOM 3058 C ALA C 115 -28.814 7.547 -4.176 1.00 23.70 C +ATOM 3059 O ALA C 115 -28.484 8.189 -5.293 1.00 28.59 O +ATOM 3060 CB ALA C 115 -31.178 7.688 -4.040 1.00 49.66 C +ATOM 3061 N GLU C 116 -27.955 7.979 -3.256 1.00 19.87 N +ATOM 3062 CA GLU C 116 -26.996 9.192 -3.337 1.00 15.46 C +ATOM 3063 C GLU C 116 -25.546 8.615 -3.591 1.00 17.63 C +ATOM 3064 O GLU C 116 -24.903 9.456 -4.305 1.00 21.65 O +ATOM 3065 CB GLU C 116 -26.603 9.453 -1.769 1.00 24.21 C +ATOM 3066 CG GLU C 116 -28.465 8.862 -0.493 1.00 64.07 C +ATOM 3067 CD GLU C 116 -28.940 10.160 -0.964 1.00 64.09 C +ATOM 3068 OE1 GLU C 116 -28.783 10.922 -1.780 1.00 59.54 O +ATOM 3069 OE2 GLU C 116 -30.228 9.634 -0.550 1.00 58.51 O +ATOM 3070 N PHE C 117 -25.343 7.424 -3.452 1.00 18.06 N +ATOM 3071 CA PHE C 117 -24.055 6.750 -3.919 1.00 15.96 C +ATOM 3072 C PHE C 117 -23.837 6.451 -5.366 1.00 17.62 C +ATOM 3073 O PHE C 117 -23.697 5.333 -5.682 1.00 20.40 O +ATOM 3074 CB PHE C 117 -23.795 5.597 -3.019 1.00 11.69 C +ATOM 3075 CG PHE C 117 -22.482 5.073 -2.755 1.00 15.94 C +ATOM 3076 CD1 PHE C 117 -21.516 5.939 -2.024 1.00 20.23 C +ATOM 3077 CD2 PHE C 117 -21.879 3.939 -3.352 1.00 18.29 C +ATOM 3078 CE1 PHE C 117 -20.010 5.429 -1.856 1.00 21.74 C +ATOM 3079 CE2 PHE C 117 -20.499 3.543 -3.388 1.00 15.69 C +ATOM 3080 CZ PHE C 117 -19.734 4.357 -2.542 1.00 19.08 C +ATOM 3081 N THR C 118 -23.888 7.554 -6.187 1.00 16.36 N +ATOM 3082 CA THR C 118 -23.750 7.200 -7.579 1.00 24.73 C +ATOM 3083 C THR C 118 -22.162 7.085 -7.979 1.00 20.24 C +ATOM 3084 O THR C 118 -21.404 7.258 -6.938 1.00 17.57 O +ATOM 3085 CB THR C 118 -23.989 8.809 -8.229 1.00 24.50 C +ATOM 3086 OG1 THR C 118 -25.423 9.053 -8.024 1.00 43.24 O +ATOM 3087 CG2 THR C 118 -23.399 9.727 -8.021 1.00 20.86 C +ATOM 3088 N PRO C 119 -21.965 6.771 -8.980 1.00 16.01 N +ATOM 3089 CA PRO C 119 -20.523 6.700 -9.434 1.00 19.05 C +ATOM 3090 C PRO C 119 -19.780 7.932 -9.012 1.00 19.72 C +ATOM 3091 O PRO C 119 -18.600 7.893 -8.606 1.00 14.74 O +ATOM 3092 CB PRO C 119 -20.464 6.235 -10.815 1.00 21.12 C +ATOM 3093 CG PRO C 119 -21.872 5.425 -11.078 1.00 19.58 C +ATOM 3094 CD PRO C 119 -22.940 6.131 -10.122 1.00 19.86 C +ATOM 3095 N ALA C 120 -20.252 9.094 -9.502 1.00 19.86 N +ATOM 3096 CA ALA C 120 -19.548 10.276 -9.334 1.00 18.74 C +ATOM 3097 C ALA C 120 -19.388 10.637 -7.832 1.00 10.87 C +ATOM 3098 O ALA C 120 -18.248 11.251 -7.450 1.00 14.38 O +ATOM 3099 CB ALA C 120 -20.260 11.491 -9.979 1.00 23.51 C +ATOM 3100 N VAL C 121 -20.385 10.350 -7.040 1.00 15.38 N +ATOM 3101 CA VAL C 121 -20.425 10.526 -5.562 1.00 17.86 C +ATOM 3102 C VAL C 121 -19.282 9.640 -4.960 1.00 13.56 C +ATOM 3103 O VAL C 121 -18.551 10.181 -4.182 1.00 14.98 O +ATOM 3104 CB VAL C 121 -21.712 10.598 -4.961 1.00 16.82 C +ATOM 3105 CG1 VAL C 121 -21.586 10.574 -3.474 1.00 15.23 C +ATOM 3106 CG2 VAL C 121 -22.399 11.837 -5.508 1.00 18.21 C +ATOM 3107 N HIS C 122 -19.274 8.429 -5.423 1.00 13.62 N +ATOM 3108 CA HIS C 122 -18.258 7.352 -4.974 1.00 13.41 C +ATOM 3109 C HIS C 122 -16.927 7.953 -5.183 1.00 19.70 C +ATOM 3110 O HIS C 122 -16.069 7.929 -4.270 1.00 15.94 O +ATOM 3111 CB HIS C 122 -18.661 6.175 -5.608 1.00 13.44 C +ATOM 3112 CG HIS C 122 -17.896 4.996 -5.506 1.00 11.42 C +ATOM 3113 ND1 HIS C 122 -18.152 3.694 -5.975 1.00 16.43 N +ATOM 3114 CD2 HIS C 122 -16.677 4.952 -4.678 1.00 17.04 C +ATOM 3115 CE1 HIS C 122 -17.175 2.906 -5.621 1.00 20.17 C +ATOM 3116 NE2 HIS C 122 -16.333 3.490 -4.734 1.00 16.87 N +ATOM 3117 N ALA C 123 -16.663 8.527 -6.359 1.00 13.94 N +ATOM 3118 CA ALA C 123 -15.263 8.979 -6.644 1.00 17.63 C +ATOM 3119 C ALA C 123 -14.878 10.124 -5.801 1.00 15.63 C +ATOM 3120 O ALA C 123 -13.855 10.169 -5.195 1.00 16.32 O +ATOM 3121 CB ALA C 123 -15.304 9.355 -8.200 1.00 21.15 C +ATOM 3122 N SER C 124 -15.845 11.044 -5.588 1.00 11.75 N +ATOM 3123 CA SER C 124 -15.443 12.245 -4.719 1.00 15.01 C +ATOM 3124 C SER C 124 -15.332 11.744 -3.177 1.00 15.67 C +ATOM 3125 O SER C 124 -14.471 12.374 -2.655 1.00 13.45 O +ATOM 3126 CB SER C 124 -16.754 13.206 -4.754 1.00 14.78 C +ATOM 3127 OG SER C 124 -17.033 13.770 -6.107 1.00 17.64 O +ATOM 3128 N LEU C 125 -16.158 10.923 -2.823 1.00 10.43 N +ATOM 3129 CA LEU C 125 -15.983 10.431 -1.427 1.00 12.66 C +ATOM 3130 C LEU C 125 -14.705 9.708 -1.135 1.00 12.01 C +ATOM 3131 O LEU C 125 -13.873 9.973 -0.196 1.00 10.58 O +ATOM 3132 CB LEU C 125 -17.093 9.515 -1.060 1.00 10.32 C +ATOM 3133 CG LEU C 125 -18.393 10.264 -0.600 1.00 16.01 C +ATOM 3134 CD1 LEU C 125 -19.493 9.231 -0.642 1.00 21.31 C +ATOM 3135 CD2 LEU C 125 -18.244 11.194 0.645 1.00 19.17 C +ATOM 3136 N ASP C 126 -14.179 8.973 -2.132 1.00 15.23 N +ATOM 3137 CA ASP C 126 -12.896 8.220 -2.060 1.00 15.01 C +ATOM 3138 C ASP C 126 -11.877 9.262 -2.029 1.00 17.34 C +ATOM 3139 O ASP C 126 -10.873 9.161 -1.311 1.00 17.16 O +ATOM 3140 CB ASP C 126 -12.829 7.258 -3.164 1.00 14.23 C +ATOM 3141 CG ASP C 126 -11.630 6.072 -2.962 1.00 15.33 C +ATOM 3142 OD1 ASP C 126 -11.594 5.816 -1.849 1.00 21.18 O +ATOM 3143 OD2 ASP C 126 -10.723 6.195 -3.670 1.00 18.49 O +ATOM 3144 N LYS C 127 -11.889 10.369 -2.865 1.00 10.51 N +ATOM 3145 CA LYS C 127 -10.843 11.346 -2.937 1.00 9.26 C +ATOM 3146 C LYS C 127 -10.985 12.090 -1.550 1.00 10.60 C +ATOM 3147 O LYS C 127 -9.736 12.501 -1.011 1.00 13.38 O +ATOM 3148 CB LYS C 127 -11.128 12.473 -4.012 1.00 12.57 C +ATOM 3149 CG LYS C 127 -10.837 11.844 -5.259 1.00 21.03 C +ATOM 3150 CD LYS C 127 -11.084 12.905 -6.433 1.00 27.03 C +ATOM 3151 CE LYS C 127 -10.200 14.180 -6.287 1.00 36.89 C +ATOM 3152 NZ LYS C 127 -10.401 15.128 -7.495 1.00 25.75 N +ATOM 3153 N PHE C 128 -12.089 12.351 -1.096 1.00 12.44 N +ATOM 3154 CA PHE C 128 -12.150 13.112 0.060 1.00 14.73 C +ATOM 3155 C PHE C 128 -11.573 12.159 1.379 1.00 19.70 C +ATOM 3156 O PHE C 128 -10.742 12.890 2.141 1.00 15.58 O +ATOM 3157 CB PHE C 128 -13.559 13.504 0.502 1.00 11.17 C +ATOM 3158 CG PHE C 128 -13.873 13.981 2.080 1.00 11.86 C +ATOM 3159 CD1 PHE C 128 -13.416 15.303 2.300 1.00 15.77 C +ATOM 3160 CD2 PHE C 128 -14.468 13.060 2.611 1.00 23.89 C +ATOM 3161 CE1 PHE C 128 -13.803 15.496 3.630 1.00 14.00 C +ATOM 3162 CE2 PHE C 128 -14.618 13.544 4.103 1.00 26.48 C +ATOM 3163 CZ PHE C 128 -14.347 14.715 4.443 1.00 15.47 C +ATOM 3164 N LEU C 129 -11.958 10.929 1.410 1.00 14.00 N +ATOM 3165 CA LEU C 129 -11.373 10.116 2.580 1.00 13.04 C +ATOM 3166 C LEU C 129 -9.834 9.957 2.377 1.00 17.30 C +ATOM 3167 O LEU C 129 -8.955 10.001 3.360 1.00 14.75 O +ATOM 3168 CB LEU C 129 -11.850 8.796 2.608 1.00 12.12 C +ATOM 3169 CG LEU C 129 -13.240 8.898 3.000 1.00 20.92 C +ATOM 3170 CD1 LEU C 129 -14.044 7.674 2.880 1.00 26.64 C +ATOM 3171 CD2 LEU C 129 -13.522 9.300 4.355 1.00 35.02 C +ATOM 3172 N ALA C 130 -9.238 9.941 1.192 1.00 16.20 N +ATOM 3173 CA ALA C 130 -7.860 10.006 0.893 1.00 14.56 C +ATOM 3174 C ALA C 130 -7.216 11.214 1.438 1.00 19.27 C +ATOM 3175 O ALA C 130 -5.982 11.322 1.999 1.00 14.14 O +ATOM 3176 CB ALA C 130 -7.442 9.870 -0.423 1.00 17.10 C +ATOM 3177 N SER C 131 -7.839 12.284 1.109 1.00 18.74 N +ATOM 3178 CA SER C 131 -7.158 13.685 1.577 1.00 19.45 C +ATOM 3179 C SER C 131 -7.424 13.831 3.307 1.00 14.53 C +ATOM 3180 O SER C 131 -6.317 14.261 3.681 1.00 12.58 O +ATOM 3181 CB SER C 131 -8.220 14.954 1.086 1.00 22.90 C +ATOM 3182 OG SER C 131 -8.002 14.782 -0.395 1.00 37.64 O +ATOM 3183 N VAL C 132 -8.436 13.257 3.800 1.00 12.03 N +ATOM 3184 CA VAL C 132 -8.508 13.199 5.238 1.00 13.41 C +ATOM 3185 C VAL C 132 -7.272 12.425 5.809 1.00 19.42 C +ATOM 3186 O VAL C 132 -6.491 12.809 6.794 1.00 14.00 O +ATOM 3187 CB VAL C 132 -9.726 12.697 5.713 1.00 15.91 C +ATOM 3188 CG1 VAL C 132 -9.619 12.379 7.255 1.00 17.14 C +ATOM 3189 CG2 VAL C 132 -11.022 13.817 5.553 1.00 19.41 C +ATOM 3190 N SER C 133 -7.133 11.157 5.180 1.00 14.01 N +ATOM 3191 CA SER C 133 -6.066 10.266 5.421 1.00 13.12 C +ATOM 3192 C SER C 133 -4.733 10.965 5.281 1.00 21.83 C +ATOM 3193 O SER C 133 -3.772 10.686 6.325 1.00 18.12 O +ATOM 3194 CB SER C 133 -5.938 8.996 4.603 1.00 13.61 C +ATOM 3195 OG SER C 133 -7.161 8.346 5.111 1.00 18.98 O +ATOM 3196 N THR C 134 -4.427 11.617 4.350 1.00 17.53 N +ATOM 3197 CA THR C 134 -3.144 12.409 4.136 1.00 15.95 C +ATOM 3198 C THR C 134 -2.914 13.473 5.177 1.00 16.97 C +ATOM 3199 O THR C 134 -1.750 13.477 5.831 1.00 20.39 O +ATOM 3200 CB THR C 134 -3.269 13.086 2.683 1.00 18.28 C +ATOM 3201 OG1 THR C 134 -3.148 12.134 1.784 1.00 22.72 O +ATOM 3202 CG2 THR C 134 -2.059 13.978 2.401 1.00 22.70 C +ATOM 3203 N VAL C 135 -3.965 14.094 5.504 1.00 15.13 N +ATOM 3204 CA VAL C 135 -3.754 15.191 6.579 1.00 16.51 C +ATOM 3205 C VAL C 135 -3.260 14.323 7.873 1.00 16.40 C +ATOM 3206 O VAL C 135 -2.487 14.902 8.617 1.00 15.94 O +ATOM 3207 CB VAL C 135 -5.059 16.100 6.780 1.00 18.21 C +ATOM 3208 CG1 VAL C 135 -5.021 16.981 8.022 1.00 17.40 C +ATOM 3209 CG2 VAL C 135 -5.230 16.888 5.569 1.00 19.71 C +ATOM 3210 N LEU C 136 -4.222 13.312 8.307 1.00 12.10 N +ATOM 3211 CA LEU C 136 -4.023 12.675 9.630 1.00 15.98 C +ATOM 3212 C LEU C 136 -2.564 12.099 9.666 1.00 16.04 C +ATOM 3213 O LEU C 136 -2.112 11.725 10.867 1.00 16.42 O +ATOM 3214 CB LEU C 136 -5.060 11.690 9.725 1.00 16.86 C +ATOM 3215 CG LEU C 136 -6.464 12.340 9.949 1.00 24.99 C +ATOM 3216 CD1 LEU C 136 -7.273 11.133 10.442 1.00 18.69 C +ATOM 3217 CD2 LEU C 136 -6.479 13.221 11.104 1.00 43.05 C +ATOM 3218 N THR C 137 -1.948 11.875 8.493 1.00 14.30 N +ATOM 3219 CA THR C 137 -0.644 11.078 8.570 1.00 16.72 C +ATOM 3220 C THR C 137 0.600 12.250 8.229 1.00 20.27 C +ATOM 3221 O THR C 137 1.641 11.779 8.219 1.00 19.99 O +ATOM 3222 CB THR C 137 -0.616 9.898 7.452 1.00 21.82 C +ATOM 3223 OG1 THR C 137 -0.747 10.397 6.348 1.00 20.00 O +ATOM 3224 CG2 THR C 137 -1.429 8.802 8.131 1.00 20.00 C +ATOM 3225 N SER C 138 0.217 13.432 7.965 1.00 21.45 N +ATOM 3226 CA SER C 138 1.195 14.450 7.576 1.00 24.00 C +ATOM 3227 C SER C 138 2.427 14.664 8.641 1.00 26.98 C +ATOM 3228 O SER C 138 3.195 15.345 8.032 1.00 21.99 O +ATOM 3229 CB SER C 138 0.001 16.139 8.122 1.00 21.69 C +ATOM 3230 OG SER C 138 0.377 15.823 6.927 1.00 42.20 O +ATOM 3231 N LYS C 139 2.133 14.403 9.912 1.00 22.73 N +ATOM 3232 CA LYS C 139 3.191 14.934 10.883 1.00 27.59 C +ATOM 3233 C LYS C 139 3.975 13.581 11.372 1.00 19.22 C +ATOM 3234 O LYS C 139 4.646 13.643 12.389 1.00 14.35 O +ATOM 3235 CB LYS C 139 2.358 15.487 11.974 1.00 19.55 C +ATOM 3236 CG LYS C 139 2.071 17.001 11.340 1.00 22.79 C +ATOM 3237 CD LYS C 139 1.307 17.445 12.283 1.00 42.21 C +ATOM 3238 CE LYS C 139 1.086 19.324 11.798 1.00 36.26 C +ATOM 3239 NZ LYS C 139 -0.244 18.940 13.010 1.00 30.87 N +ATOM 3240 N TYR C 140 3.750 12.465 10.738 1.00 18.17 N +ATOM 3241 CA TYR C 140 4.409 11.291 11.242 1.00 17.49 C +ATOM 3242 C TYR C 140 5.879 11.300 11.241 1.00 19.10 C +ATOM 3243 O TYR C 140 6.366 10.507 12.197 1.00 22.35 O +ATOM 3244 CB TYR C 140 3.865 10.055 10.357 1.00 16.87 C +ATOM 3245 CG TYR C 140 2.674 9.300 10.891 1.00 12.61 C +ATOM 3246 CD1 TYR C 140 2.521 8.093 11.003 1.00 19.13 C +ATOM 3247 CD2 TYR C 140 1.410 10.025 11.225 1.00 16.63 C +ATOM 3248 CE1 TYR C 140 1.365 7.496 11.459 1.00 21.26 C +ATOM 3249 CE2 TYR C 140 0.269 9.420 11.748 1.00 17.45 C +ATOM 3250 CZ TYR C 140 0.153 8.203 11.775 1.00 14.84 C +ATOM 3251 OH TYR C 140 -0.838 7.429 12.277 1.00 15.53 O +ATOM 3252 N ARG C 141 6.450 11.994 10.246 1.00 20.34 N +ATOM 3253 CA ARG C 141 7.886 11.986 10.168 1.00 25.59 C +ATOM 3254 C ARG C 141 8.484 13.451 9.626 1.00 21.46 C +ATOM 3255 O ARG C 141 7.587 13.891 9.012 1.00 24.60 O +ATOM 3256 CB ARG C 141 8.511 10.698 9.627 1.00 27.67 C +ATOM 3257 CG ARG C 141 8.124 10.586 8.132 1.00 20.44 C +ATOM 3258 CD ARG C 141 8.972 9.192 7.851 1.00 27.35 C +ATOM 3259 NE ARG C 141 8.521 8.970 6.409 1.00 21.57 N +ATOM 3260 CZ ARG C 141 9.349 8.234 5.557 1.00 17.72 C +ATOM 3261 NH1 ARG C 141 10.182 7.400 5.980 1.00 16.11 N +ATOM 3262 NH2 ARG C 141 8.583 8.168 4.338 1.00 19.55 N +ATOM 3263 OXT ARG C 141 9.695 13.488 9.645 1.00 22.97 O +TER 3264 ARG C 141 +ATOM 3265 N VAL D 1 -8.916 -20.986 -1.208 1.00 44.53 N +ATOM 3266 CA VAL D 1 -8.728 -19.973 0.230 1.00 40.54 C +ATOM 3267 C VAL D 1 -9.597 -21.119 1.649 1.00 54.57 C +ATOM 3268 O VAL D 1 -10.511 -21.747 0.927 1.00 46.03 O +ATOM 3269 CB VAL D 1 -9.741 -18.620 0.365 1.00 59.62 C +ATOM 3270 CG1 VAL D 1 -8.976 -17.356 -0.533 1.00 56.25 C +ATOM 3271 CG2 VAL D 1 -10.766 -18.689 -0.199 1.00 44.49 C +ATOM 3272 N HIS D 2 -9.359 -20.204 2.359 1.00 54.55 N +ATOM 3273 CA HIS D 2 -10.028 -20.478 3.617 1.00 76.16 C +ATOM 3274 C HIS D 2 -11.503 -19.997 4.189 1.00 40.79 C +ATOM 3275 O HIS D 2 -10.949 -18.900 5.117 1.00 42.23 O +ATOM 3276 CB HIS D 2 -8.550 -21.746 4.671 1.00 61.25 C +ATOM 3277 CG HIS D 2 -9.111 -22.384 5.289 1.00 73.35 C +ATOM 3278 ND1 HIS D 2 -9.292 -20.744 7.139 1.00 63.32 N +ATOM 3279 CD2 HIS D 2 -10.298 -23.586 6.052 1.00 68.03 C +ATOM 3280 CE1 HIS D 2 -10.663 -21.227 8.362 1.00 55.48 C +ATOM 3281 NE2 HIS D 2 -10.906 -22.743 7.235 1.00 54.14 N +ATOM 3282 N LEU D 3 -12.538 -20.903 4.013 1.00 31.51 N +ATOM 3283 CA LEU D 3 -13.638 -20.047 4.223 1.00 32.74 C +ATOM 3284 C LEU D 3 -13.624 -20.741 5.723 1.00 43.55 C +ATOM 3285 O LEU D 3 -14.592 -22.168 5.344 1.00 38.09 O +ATOM 3286 CB LEU D 3 -14.958 -19.886 3.451 1.00 39.97 C +ATOM 3287 CG LEU D 3 -14.306 -18.748 2.457 1.00 33.25 C +ATOM 3288 CD1 LEU D 3 -15.545 -18.399 1.653 1.00 35.36 C +ATOM 3289 CD2 LEU D 3 -14.311 -17.477 2.906 1.00 43.98 C +ATOM 3290 N THR D 4 -14.873 -20.575 6.573 1.00 40.52 N +ATOM 3291 CA THR D 4 -15.571 -21.118 7.446 1.00 35.01 C +ATOM 3292 C THR D 4 -16.965 -21.835 7.057 1.00 36.50 C +ATOM 3293 O THR D 4 -17.217 -21.032 5.924 1.00 26.93 O +ATOM 3294 CB THR D 4 -15.866 -20.187 8.979 1.00 42.32 C +ATOM 3295 OG1 THR D 4 -16.874 -19.360 8.569 1.00 35.61 O +ATOM 3296 CG2 THR D 4 -14.805 -19.826 9.491 1.00 41.74 C +ATOM 3297 N PRO D 5 -17.421 -22.638 7.348 1.00 38.01 N +ATOM 3298 CA PRO D 5 -18.819 -22.801 6.165 1.00 45.26 C +ATOM 3299 C PRO D 5 -19.967 -21.905 6.477 1.00 40.88 C +ATOM 3300 O PRO D 5 -20.833 -21.591 5.783 1.00 35.71 O +ATOM 3301 CB PRO D 5 -19.489 -24.074 7.971 1.00 80.12 C +ATOM 3302 CG PRO D 5 -18.622 -24.429 8.450 1.00 36.53 C +ATOM 3303 CD PRO D 5 -17.099 -23.867 8.283 1.00 38.83 C +ATOM 3304 N GLU D 6 -19.807 -20.993 7.524 1.00 38.95 N +ATOM 3305 CA GLU D 6 -20.826 -20.251 7.892 1.00 54.36 C +ATOM 3306 C GLU D 6 -20.257 -18.491 6.516 1.00 29.53 C +ATOM 3307 O GLU D 6 -21.186 -18.231 6.189 1.00 34.33 O +ATOM 3308 CB GLU D 6 -20.808 -19.128 9.200 1.00 67.37 C +ATOM 3309 CG GLU D 6 -20.143 -19.295 9.841 1.00 68.32 C +ATOM 3310 CD GLU D 6 -19.833 -20.908 10.929 1.00 80.07 C +ATOM 3311 OE1 GLU D 6 -19.263 -21.552 10.554 1.00 62.33 O +ATOM 3312 OE2 GLU D 6 -17.422 -20.947 9.979 1.00 75.27 O +ATOM 3313 N GLU D 7 -19.046 -18.647 6.494 1.00 32.30 N +ATOM 3314 CA GLU D 7 -18.571 -17.615 5.450 1.00 26.92 C +ATOM 3315 C GLU D 7 -19.016 -18.399 3.955 1.00 36.61 C +ATOM 3316 O GLU D 7 -19.572 -17.530 3.297 1.00 31.61 O +ATOM 3317 CB GLU D 7 -17.035 -17.606 5.380 1.00 22.74 C +ATOM 3318 CG GLU D 7 -16.644 -16.558 6.886 1.00 25.68 C +ATOM 3319 CD GLU D 7 -15.325 -16.832 6.956 1.00 21.07 C +ATOM 3320 OE1 GLU D 7 -14.977 -15.445 7.269 1.00 41.17 O +ATOM 3321 OE2 GLU D 7 -14.302 -17.526 6.337 1.00 26.19 O +ATOM 3322 N LYS D 8 -18.754 -19.547 3.890 1.00 24.35 N +ATOM 3323 CA LYS D 8 -19.098 -20.158 2.364 1.00 27.18 C +ATOM 3324 C LYS D 8 -20.384 -20.203 2.052 1.00 23.43 C +ATOM 3325 O LYS D 8 -21.074 -19.662 1.178 1.00 23.08 O +ATOM 3326 CB LYS D 8 -18.527 -21.857 2.829 1.00 28.41 C +ATOM 3327 CG LYS D 8 -18.698 -21.991 1.053 1.00 48.31 C +ATOM 3328 CD LYS D 8 -18.147 -23.072 0.880 1.00 69.34 C +ATOM 3329 CE LYS D 8 -18.957 -23.705 -0.872 1.00 38.29 C +ATOM 3330 NZ LYS D 8 -17.931 -25.269 -1.374 1.00 72.55 N +ATOM 3331 N SER D 9 -21.307 -20.301 3.110 1.00 21.45 N +ATOM 3332 CA SER D 9 -22.632 -20.010 2.800 1.00 23.49 C +ATOM 3333 C SER D 9 -23.050 -18.608 2.651 1.00 32.73 C +ATOM 3334 O SER D 9 -24.111 -18.558 1.973 1.00 27.24 O +ATOM 3335 CB SER D 9 -23.425 -20.879 3.815 1.00 48.80 C +ATOM 3336 OG SER D 9 -24.248 -20.636 4.597 1.00 54.12 O +ATOM 3337 N ALA D 10 -22.340 -17.847 3.521 1.00 26.97 N +ATOM 3338 CA ALA D 10 -23.067 -16.421 3.397 1.00 27.01 C +ATOM 3339 C ALA D 10 -22.551 -15.974 1.781 1.00 23.29 C +ATOM 3340 O ALA D 10 -23.475 -15.280 1.185 1.00 20.87 O +ATOM 3341 CB ALA D 10 -22.056 -15.660 3.934 1.00 28.42 C +ATOM 3342 N VAL D 11 -21.472 -16.449 1.276 1.00 31.33 N +ATOM 3343 CA VAL D 11 -21.016 -15.993 -0.163 1.00 25.10 C +ATOM 3344 C VAL D 11 -21.923 -16.557 -1.184 1.00 18.64 C +ATOM 3345 O VAL D 11 -22.347 -15.774 -1.949 1.00 19.73 O +ATOM 3346 CB VAL D 11 -19.580 -16.599 -0.312 1.00 18.52 C +ATOM 3347 CG1 VAL D 11 -19.332 -16.430 -1.555 1.00 28.45 C +ATOM 3348 CG2 VAL D 11 -18.563 -15.544 0.540 1.00 21.05 C +ATOM 3349 N THR D 12 -22.095 -17.881 -0.865 1.00 19.99 N +ATOM 3350 CA THR D 12 -23.012 -18.659 -2.043 1.00 26.25 C +ATOM 3351 C THR D 12 -24.298 -18.196 -1.973 1.00 24.29 C +ATOM 3352 O THR D 12 -25.087 -17.804 -3.054 1.00 26.52 O +ATOM 3353 CB THR D 12 -23.024 -20.432 -1.285 1.00 24.72 C +ATOM 3354 OG1 THR D 12 -21.642 -20.629 -1.920 1.00 32.38 O +ATOM 3355 CG2 THR D 12 -24.127 -20.769 -2.067 1.00 56.05 C +ATOM 3356 N ALA D 13 -24.939 -17.863 -0.966 1.00 25.46 N +ATOM 3357 CA ALA D 13 -26.249 -17.368 -0.697 1.00 25.21 C +ATOM 3358 C ALA D 13 -26.716 -16.016 -1.505 1.00 24.39 C +ATOM 3359 O ALA D 13 -27.502 -15.783 -2.239 1.00 27.12 O +ATOM 3360 CB ALA D 13 -26.840 -17.284 0.237 1.00 40.91 C +ATOM 3361 N LEU D 14 -25.588 -15.038 -1.202 1.00 21.51 N +ATOM 3362 CA LEU D 14 -25.805 -13.895 -1.844 1.00 19.28 C +ATOM 3363 C LEU D 14 -25.557 -13.900 -3.355 1.00 20.58 C +ATOM 3364 O LEU D 14 -26.325 -13.141 -4.012 1.00 19.87 O +ATOM 3365 CB LEU D 14 -24.748 -12.802 -1.037 1.00 18.39 C +ATOM 3366 CG LEU D 14 -24.944 -11.344 -1.539 1.00 32.12 C +ATOM 3367 CD1 LEU D 14 -25.966 -10.962 -0.374 1.00 41.26 C +ATOM 3368 CD2 LEU D 14 -23.927 -10.587 -1.223 1.00 34.27 C +ATOM 3369 N TRP D 15 -24.663 -14.787 -3.692 1.00 16.79 N +ATOM 3370 CA TRP D 15 -24.253 -14.609 -5.178 1.00 13.47 C +ATOM 3371 C TRP D 15 -25.414 -15.354 -5.958 1.00 22.23 C +ATOM 3372 O TRP D 15 -25.691 -14.922 -7.051 1.00 22.75 O +ATOM 3373 CB TRP D 15 -23.003 -15.504 -5.278 1.00 17.27 C +ATOM 3374 CG TRP D 15 -22.390 -15.264 -6.607 1.00 18.39 C +ATOM 3375 CD1 TRP D 15 -22.417 -16.024 -7.714 1.00 29.85 C +ATOM 3376 CD2 TRP D 15 -21.683 -13.937 -6.966 1.00 19.14 C +ATOM 3377 NE1 TRP D 15 -21.775 -15.472 -8.770 1.00 25.67 N +ATOM 3378 CE2 TRP D 15 -21.205 -14.132 -8.458 1.00 18.90 C +ATOM 3379 CE3 TRP D 15 -21.251 -12.883 -6.227 1.00 24.35 C +ATOM 3380 CZ2 TRP D 15 -20.568 -13.098 -9.104 1.00 22.83 C +ATOM 3381 CZ3 TRP D 15 -20.364 -11.928 -6.894 1.00 24.62 C +ATOM 3382 CH2 TRP D 15 -20.127 -12.198 -8.397 1.00 30.44 C +ATOM 3383 N GLY D 16 -26.279 -16.244 -5.358 1.00 23.06 N +ATOM 3384 CA GLY D 16 -27.474 -16.657 -6.225 1.00 23.16 C +ATOM 3385 C GLY D 16 -28.300 -15.570 -6.485 1.00 26.54 C +ATOM 3386 O GLY D 16 -29.203 -15.791 -7.472 1.00 26.11 O +ATOM 3387 N LYS D 17 -28.475 -14.360 -5.980 1.00 18.84 N +ATOM 3388 CA LYS D 17 -29.272 -13.270 -5.974 1.00 24.96 C +ATOM 3389 C LYS D 17 -29.000 -12.271 -6.961 1.00 22.00 C +ATOM 3390 O LYS D 17 -29.037 -11.079 -7.508 1.00 24.63 O +ATOM 3391 CB LYS D 17 -29.587 -12.449 -4.588 1.00 28.33 C +ATOM 3392 CG LYS D 17 -30.108 -13.362 -3.795 1.00 27.71 C +ATOM 3393 CD LYS D 17 -30.415 -12.422 -2.822 1.00 33.37 C +ATOM 3394 CE LYS D 17 -30.390 -12.386 -1.399 1.00 43.68 C +ATOM 3395 NZ LYS D 17 -31.873 -11.072 -1.369 1.00 36.22 N +ATOM 3396 N VAL D 18 -27.474 -12.385 -7.448 1.00 33.39 N +ATOM 3397 CA VAL D 18 -26.489 -11.309 -8.320 1.00 24.51 C +ATOM 3398 C VAL D 18 -27.096 -11.570 -9.917 1.00 27.24 C +ATOM 3399 O VAL D 18 -26.940 -12.785 -10.011 1.00 26.54 O +ATOM 3400 CB VAL D 18 -25.245 -11.428 -8.185 1.00 31.98 C +ATOM 3401 CG1 VAL D 18 -24.320 -10.896 -8.917 1.00 31.25 C +ATOM 3402 CG2 VAL D 18 -24.647 -11.020 -6.542 1.00 22.12 C +ATOM 3403 N ASN D 19 -27.428 -10.545 -10.401 1.00 25.81 N +ATOM 3404 CA ASN D 19 -27.299 -10.403 -11.802 1.00 27.55 C +ATOM 3405 C ASN D 19 -26.159 -10.452 -12.333 1.00 24.31 C +ATOM 3406 O ASN D 19 -25.632 -9.111 -12.336 1.00 20.67 O +ATOM 3407 CB ASN D 19 -28.399 -9.524 -12.285 1.00 40.49 C +ATOM 3408 CG ASN D 19 -28.856 -10.175 -13.808 1.00 44.62 C +ATOM 3409 OD1 ASN D 19 -27.731 -9.601 -14.786 1.00 45.68 O +ATOM 3410 ND2 ASN D 19 -29.658 -8.823 -14.484 1.00 50.78 N +ATOM 3411 N VAL D 20 -25.460 -11.215 -12.835 1.00 22.82 N +ATOM 3412 CA VAL D 20 -23.926 -10.940 -13.321 1.00 40.38 C +ATOM 3413 C VAL D 20 -23.628 -9.968 -13.933 1.00 37.93 C +ATOM 3414 O VAL D 20 -22.741 -9.105 -14.256 1.00 32.18 O +ATOM 3415 CB VAL D 20 -22.524 -12.140 -14.217 1.00 63.33 C +ATOM 3416 CG1 VAL D 20 -23.373 -13.095 -12.306 1.00 34.72 C +ATOM 3417 CG2 VAL D 20 -22.926 -12.781 -13.318 1.00 54.80 C +ATOM 3418 N ASP D 21 -24.469 -9.996 -15.091 1.00 36.66 N +ATOM 3419 CA ASP D 21 -24.588 -8.635 -15.872 1.00 54.12 C +ATOM 3420 C ASP D 21 -24.717 -7.685 -15.749 1.00 46.84 C +ATOM 3421 O ASP D 21 -23.610 -6.686 -15.937 1.00 32.53 O +ATOM 3422 CB ASP D 21 -25.603 -8.934 -17.011 1.00 60.03 C +ATOM 3423 CG ASP D 21 -25.523 -10.565 -17.717 1.00 75.30 C +ATOM 3424 OD1 ASP D 21 -24.242 -11.481 -17.893 1.00 51.52 O +ATOM 3425 OD2 ASP D 21 -25.948 -10.502 -18.826 1.00 64.70 O +ATOM 3426 N GLU D 22 -25.623 -7.162 -14.906 1.00 27.09 N +ATOM 3427 CA GLU D 22 -25.919 -5.886 -14.386 1.00 23.15 C +ATOM 3428 C GLU D 22 -24.427 -5.530 -13.395 1.00 19.08 C +ATOM 3429 O GLU D 22 -24.197 -4.407 -13.172 1.00 21.80 O +ATOM 3430 CB GLU D 22 -27.280 -5.934 -13.774 1.00 35.52 C +ATOM 3431 CG GLU D 22 -27.211 -5.635 -13.083 1.00 68.74 C +ATOM 3432 CD GLU D 22 -28.960 -4.398 -12.033 1.00 80.12 C +ATOM 3433 OE1 GLU D 22 -29.624 -5.184 -11.024 1.00 61.13 O +ATOM 3434 OE2 GLU D 22 -29.463 -4.100 -13.136 1.00 73.88 O +ATOM 3435 N VAL D 23 -24.426 -6.315 -12.392 1.00 20.94 N +ATOM 3436 CA VAL D 23 -23.348 -6.099 -11.326 1.00 17.82 C +ATOM 3437 C VAL D 23 -21.966 -6.004 -12.061 1.00 15.07 C +ATOM 3438 O VAL D 23 -21.155 -5.154 -11.664 1.00 21.11 O +ATOM 3439 CB VAL D 23 -23.341 -7.268 -10.216 1.00 18.64 C +ATOM 3440 CG1 VAL D 23 -22.169 -7.160 -9.566 1.00 21.45 C +ATOM 3441 CG2 VAL D 23 -24.676 -6.892 -9.537 1.00 21.02 C +ATOM 3442 N GLY D 24 -21.629 -6.780 -12.936 1.00 12.96 N +ATOM 3443 CA GLY D 24 -20.442 -6.846 -13.669 1.00 18.39 C +ATOM 3444 C GLY D 24 -20.261 -5.559 -14.312 1.00 16.60 C +ATOM 3445 O GLY D 24 -19.233 -4.768 -14.272 1.00 15.31 O +ATOM 3446 N GLY D 25 -21.132 -4.866 -15.117 1.00 17.32 N +ATOM 3447 CA GLY D 25 -21.127 -3.499 -15.792 1.00 16.45 C +ATOM 3448 C GLY D 25 -21.008 -2.525 -14.804 1.00 12.17 C +ATOM 3449 O GLY D 25 -20.114 -1.633 -15.055 1.00 21.20 O +ATOM 3450 N GLU D 26 -21.690 -2.622 -13.683 1.00 15.97 N +ATOM 3451 CA GLU D 26 -21.600 -1.628 -12.730 1.00 13.66 C +ATOM 3452 C GLU D 26 -20.044 -1.546 -12.031 1.00 11.75 C +ATOM 3453 O GLU D 26 -19.572 -0.450 -11.864 1.00 13.88 O +ATOM 3454 CB GLU D 26 -22.662 -1.686 -11.514 1.00 18.62 C +ATOM 3455 CG GLU D 26 -23.979 0.008 -11.890 1.00 39.81 C +ATOM 3456 CD GLU D 26 -22.700 -0.395 -10.542 1.00 31.77 C +ATOM 3457 OE1 GLU D 26 -23.368 1.259 -10.392 1.00 34.99 O +ATOM 3458 OE2 GLU D 26 -24.210 -0.810 -9.865 1.00 54.79 O +ATOM 3459 N ALA D 27 -19.673 -2.710 -11.707 1.00 12.60 N +ATOM 3460 CA ALA D 27 -18.269 -2.901 -11.078 1.00 17.85 C +ATOM 3461 C ALA D 27 -17.180 -2.341 -11.937 1.00 15.51 C +ATOM 3462 O ALA D 27 -16.331 -1.489 -11.550 1.00 14.90 O +ATOM 3463 CB ALA D 27 -18.048 -4.225 -10.534 1.00 15.58 C +ATOM 3464 N LEU D 28 -17.183 -2.729 -13.203 1.00 16.04 N +ATOM 3465 CA LEU D 28 -16.186 -2.309 -14.163 1.00 11.08 C +ATOM 3466 C LEU D 28 -16.248 -0.897 -14.292 1.00 13.51 C +ATOM 3467 O LEU D 28 -15.238 -0.124 -14.487 1.00 14.05 O +ATOM 3468 CB LEU D 28 -16.275 -3.066 -15.497 1.00 12.20 C +ATOM 3469 CG LEU D 28 -14.973 -2.764 -16.433 1.00 28.52 C +ATOM 3470 CD1 LEU D 28 -13.779 -3.087 -15.679 1.00 36.95 C +ATOM 3471 CD2 LEU D 28 -15.242 -3.401 -17.606 1.00 34.25 C +ATOM 3472 N GLY D 29 -17.518 -0.283 -14.622 1.00 12.33 N +ATOM 3473 CA GLY D 29 -17.751 1.088 -14.735 1.00 13.25 C +ATOM 3474 C GLY D 29 -17.136 1.954 -13.603 1.00 12.50 C +ATOM 3475 O GLY D 29 -16.531 3.012 -13.890 1.00 16.69 O +ATOM 3476 N ARG D 30 -17.539 1.491 -12.441 1.00 15.15 N +ATOM 3477 CA ARG D 30 -17.026 2.243 -11.337 1.00 17.77 C +ATOM 3478 C ARG D 30 -15.527 2.171 -11.160 1.00 14.35 C +ATOM 3479 O ARG D 30 -14.968 3.218 -10.798 1.00 14.59 O +ATOM 3480 CB ARG D 30 -17.892 1.792 -10.040 1.00 15.53 C +ATOM 3481 CG ARG D 30 -19.275 2.313 -9.820 1.00 16.65 C +ATOM 3482 CD ARG D 30 -19.931 1.839 -8.709 1.00 28.01 C +ATOM 3483 NE ARG D 30 -21.099 2.164 -8.522 1.00 23.10 N +ATOM 3484 CZ ARG D 30 -21.731 3.109 -7.922 1.00 16.06 C +ATOM 3485 NH1 ARG D 30 -22.965 3.397 -7.723 1.00 17.46 N +ATOM 3486 NH2 ARG D 30 -21.050 3.807 -6.871 1.00 10.32 N +ATOM 3487 N LEU D 31 -14.961 1.160 -11.442 1.00 15.53 N +ATOM 3488 CA LEU D 31 -13.554 1.103 -11.546 1.00 14.63 C +ATOM 3489 C LEU D 31 -12.894 2.305 -12.254 1.00 16.67 C +ATOM 3490 O LEU D 31 -11.964 2.890 -11.986 1.00 15.33 O +ATOM 3491 CB LEU D 31 -12.961 -0.342 -11.951 1.00 12.02 C +ATOM 3492 CG LEU D 31 -11.524 -0.502 -11.963 1.00 17.81 C +ATOM 3493 CD1 LEU D 31 -10.867 -0.718 -10.607 1.00 18.94 C +ATOM 3494 CD2 LEU D 31 -11.112 -1.549 -12.889 1.00 18.38 C +ATOM 3495 N LEU D 32 -13.461 2.265 -13.601 1.00 8.95 N +ATOM 3496 CA LEU D 32 -13.016 3.232 -14.475 1.00 13.61 C +ATOM 3497 C LEU D 32 -13.249 4.589 -14.109 1.00 13.07 C +ATOM 3498 O LEU D 32 -12.457 5.593 -14.562 1.00 15.98 O +ATOM 3499 CB LEU D 32 -13.512 2.944 -15.805 1.00 14.00 C +ATOM 3500 CG LEU D 32 -12.943 1.707 -16.403 1.00 23.55 C +ATOM 3501 CD1 LEU D 32 -13.857 1.407 -17.761 1.00 25.80 C +ATOM 3502 CD2 LEU D 32 -11.759 1.263 -16.551 1.00 26.67 C +ATOM 3503 N VAL D 33 -14.340 4.892 -13.280 1.00 13.83 N +ATOM 3504 CA VAL D 33 -14.717 6.296 -12.776 1.00 13.13 C +ATOM 3505 C VAL D 33 -13.702 6.655 -11.697 1.00 16.82 C +ATOM 3506 O VAL D 33 -13.288 7.735 -11.589 1.00 15.10 O +ATOM 3507 CB VAL D 33 -16.181 6.271 -12.468 1.00 11.59 C +ATOM 3508 CG1 VAL D 33 -16.396 7.592 -11.833 1.00 21.42 C +ATOM 3509 CG2 VAL D 33 -16.955 6.215 -13.830 1.00 18.60 C +ATOM 3510 N VAL D 34 -13.788 5.741 -10.696 1.00 12.61 N +ATOM 3511 CA VAL D 34 -13.205 6.102 -9.422 1.00 13.03 C +ATOM 3512 C VAL D 34 -11.709 6.268 -9.501 1.00 15.88 C +ATOM 3513 O VAL D 34 -11.074 6.862 -8.702 1.00 16.40 O +ATOM 3514 CB VAL D 34 -13.754 5.224 -8.226 1.00 15.07 C +ATOM 3515 CG1 VAL D 34 -13.038 5.375 -6.973 1.00 13.90 C +ATOM 3516 CG2 VAL D 34 -15.220 5.422 -8.063 1.00 18.23 C +ATOM 3517 N TYR D 35 -11.136 5.248 -10.266 1.00 11.62 N +ATOM 3518 CA TYR D 35 -9.629 5.095 -10.409 1.00 14.47 C +ATOM 3519 C TYR D 35 -9.420 5.204 -11.973 1.00 16.31 C +ATOM 3520 O TYR D 35 -9.060 4.177 -12.606 1.00 17.14 O +ATOM 3521 CB TYR D 35 -9.241 3.705 -9.961 1.00 14.04 C +ATOM 3522 CG TYR D 35 -9.664 3.371 -8.620 1.00 16.50 C +ATOM 3523 CD1 TYR D 35 -9.076 4.102 -7.605 1.00 16.28 C +ATOM 3524 CD2 TYR D 35 -10.520 2.540 -8.304 1.00 21.92 C +ATOM 3525 CE1 TYR D 35 -9.315 3.966 -6.162 1.00 18.51 C +ATOM 3526 CE2 TYR D 35 -10.873 2.362 -6.966 1.00 25.13 C +ATOM 3527 CZ TYR D 35 -10.254 3.015 -5.920 1.00 19.91 C +ATOM 3528 OH TYR D 35 -10.861 2.820 -4.629 1.00 21.91 O +ATOM 3529 N PRO D 36 -9.392 6.463 -12.417 1.00 14.59 N +ATOM 3530 CA PRO D 36 -9.346 6.600 -14.037 1.00 16.73 C +ATOM 3531 C PRO D 36 -8.099 6.185 -14.723 1.00 13.23 C +ATOM 3532 O PRO D 36 -8.183 5.907 -15.944 1.00 15.17 O +ATOM 3533 CB PRO D 36 -9.750 8.096 -14.119 1.00 24.30 C +ATOM 3534 CG PRO D 36 -9.458 8.680 -12.746 1.00 25.67 C +ATOM 3535 CD PRO D 36 -9.575 7.632 -11.872 1.00 17.58 C +ATOM 3536 N TRP D 37 -6.974 5.929 -13.940 1.00 13.75 N +ATOM 3537 CA TRP D 37 -5.897 5.496 -14.615 1.00 15.13 C +ATOM 3538 C TRP D 37 -5.961 4.094 -15.089 1.00 14.32 C +ATOM 3539 O TRP D 37 -5.292 3.617 -16.098 1.00 19.70 O +ATOM 3540 CB TRP D 37 -4.642 5.522 -13.687 1.00 13.13 C +ATOM 3541 CG TRP D 37 -4.793 4.873 -12.298 1.00 8.65 C +ATOM 3542 CD1 TRP D 37 -4.494 3.633 -11.929 1.00 13.10 C +ATOM 3543 CD2 TRP D 37 -5.201 5.532 -10.999 1.00 14.59 C +ATOM 3544 NE1 TRP D 37 -4.604 3.407 -10.644 1.00 17.65 N +ATOM 3545 CE2 TRP D 37 -5.232 4.530 -10.117 1.00 16.05 C +ATOM 3546 CE3 TRP D 37 -5.786 6.762 -10.728 1.00 11.20 C +ATOM 3547 CZ2 TRP D 37 -5.541 4.775 -8.606 1.00 26.88 C +ATOM 3548 CZ3 TRP D 37 -6.287 7.021 -9.443 1.00 11.28 C +ATOM 3549 CH2 TRP D 37 -5.996 6.001 -8.551 1.00 16.90 C +ATOM 3550 N THR D 38 -6.984 3.333 -14.581 1.00 16.64 N +ATOM 3551 CA THR D 38 -7.362 1.995 -14.995 1.00 14.14 C +ATOM 3552 C THR D 38 -7.792 2.033 -16.539 1.00 18.16 C +ATOM 3553 O THR D 38 -7.920 0.930 -17.161 1.00 16.15 O +ATOM 3554 CB THR D 38 -8.440 1.318 -14.155 1.00 11.09 C +ATOM 3555 OG1 THR D 38 -9.618 2.008 -14.130 1.00 14.48 O +ATOM 3556 CG2 THR D 38 -7.730 1.043 -12.892 1.00 16.14 C +ATOM 3557 N GLN D 39 -8.345 3.275 -16.962 1.00 12.07 N +ATOM 3558 CA GLN D 39 -8.833 3.256 -18.352 1.00 10.72 C +ATOM 3559 C GLN D 39 -7.732 3.116 -19.349 1.00 16.84 C +ATOM 3560 O GLN D 39 -7.933 2.801 -20.471 1.00 21.52 O +ATOM 3561 CB GLN D 39 -9.205 4.786 -18.517 1.00 13.63 C +ATOM 3562 CG GLN D 39 -10.419 4.929 -17.639 1.00 17.04 C +ATOM 3563 CD GLN D 39 -10.861 6.282 -17.855 1.00 23.47 C +ATOM 3564 OE1 GLN D 39 -10.432 7.200 -18.833 1.00 25.04 O +ATOM 3565 NE2 GLN D 39 -11.740 6.840 -16.888 1.00 28.38 N +ATOM 3566 N ARG D 40 -6.331 2.999 -19.002 1.00 12.32 N +ATOM 3567 CA ARG D 40 -5.095 2.844 -19.730 1.00 16.79 C +ATOM 3568 C ARG D 40 -5.433 1.605 -20.411 1.00 17.58 C +ATOM 3569 O ARG D 40 -4.682 1.315 -21.633 1.00 20.86 O +ATOM 3570 CB ARG D 40 -3.966 2.461 -18.813 1.00 22.83 C +ATOM 3571 CG ARG D 40 -3.694 1.460 -18.189 1.00 37.26 C +ATOM 3572 CD ARG D 40 -2.418 1.834 -17.304 1.00 23.75 C +ATOM 3573 NE ARG D 40 -1.279 2.091 -17.831 1.00 28.71 N +ATOM 3574 CZ ARG D 40 -0.609 1.176 -18.760 1.00 41.77 C +ATOM 3575 NH1 ARG D 40 -0.700 0.067 -18.486 1.00 31.05 N +ATOM 3576 NH2 ARG D 40 0.625 1.911 -19.038 1.00 37.79 N +ATOM 3577 N PHE D 41 -6.207 0.540 -20.107 1.00 15.17 N +ATOM 3578 CA PHE D 41 -6.336 -0.770 -20.711 1.00 16.55 C +ATOM 3579 C PHE D 41 -7.612 -0.691 -21.880 1.00 20.00 C +ATOM 3580 O PHE D 41 -7.651 -1.868 -22.265 1.00 23.52 O +ATOM 3581 CB PHE D 41 -6.568 -1.995 -19.811 1.00 13.75 C +ATOM 3582 CG PHE D 41 -5.344 -2.033 -18.714 1.00 12.41 C +ATOM 3583 CD1 PHE D 41 -5.592 -1.379 -17.449 1.00 16.97 C +ATOM 3584 CD2 PHE D 41 -4.233 -2.496 -19.084 1.00 18.05 C +ATOM 3585 CE1 PHE D 41 -4.371 -1.693 -16.818 1.00 23.07 C +ATOM 3586 CE2 PHE D 41 -3.008 -2.505 -18.298 1.00 24.82 C +ATOM 3587 CZ PHE D 41 -3.359 -2.006 -17.025 1.00 25.09 C +ATOM 3588 N PHE D 42 -8.192 0.386 -21.832 1.00 15.21 N +ATOM 3589 CA PHE D 42 -9.461 0.148 -22.436 1.00 14.18 C +ATOM 3590 C PHE D 42 -9.645 1.104 -23.586 1.00 19.41 C +ATOM 3591 O PHE D 42 -10.690 1.871 -23.828 1.00 18.71 O +ATOM 3592 CB PHE D 42 -10.613 0.298 -21.592 1.00 21.58 C +ATOM 3593 CG PHE D 42 -10.602 -1.034 -20.710 1.00 17.63 C +ATOM 3594 CD1 PHE D 42 -10.145 -0.545 -19.164 1.00 20.37 C +ATOM 3595 CD2 PHE D 42 -11.012 -2.318 -21.048 1.00 20.14 C +ATOM 3596 CE1 PHE D 42 -10.225 -1.848 -18.434 1.00 27.02 C +ATOM 3597 CE2 PHE D 42 -10.887 -3.301 -20.223 1.00 27.08 C +ATOM 3598 CZ PHE D 42 -10.474 -2.972 -18.757 1.00 18.28 C +ATOM 3599 N GLU D 43 -8.375 1.400 -24.058 1.00 32.32 N +ATOM 3600 CA GLU D 43 -8.561 2.747 -24.914 1.00 33.61 C +ATOM 3601 C GLU D 43 -9.574 2.656 -26.563 1.00 12.75 C +ATOM 3602 O GLU D 43 -9.904 3.604 -26.926 1.00 26.94 O +ATOM 3603 CB GLU D 43 -7.590 2.897 -25.572 1.00 65.31 C +ATOM 3604 CG GLU D 43 -6.882 2.859 -25.890 1.00 43.00 C +ATOM 3605 CD GLU D 43 -6.060 4.011 -24.596 1.00 32.00 C +ATOM 3606 OE1 GLU D 43 -6.764 5.450 -24.611 1.00 29.89 O +ATOM 3607 OE2 GLU D 43 -4.721 4.728 -24.142 1.00 58.55 O +ATOM 3608 N SER D 44 -9.605 1.289 -26.702 1.00 19.02 N +ATOM 3609 CA SER D 44 -10.333 0.707 -27.924 1.00 25.67 C +ATOM 3610 C SER D 44 -11.604 0.898 -27.554 1.00 26.66 C +ATOM 3611 O SER D 44 -12.646 0.619 -28.203 1.00 32.13 O +ATOM 3612 CB SER D 44 -10.139 -0.585 -28.237 1.00 42.87 C +ATOM 3613 OG SER D 44 -10.504 -1.572 -27.556 1.00 44.29 O +ATOM 3614 N PHE D 45 -12.328 1.230 -26.297 1.00 27.34 N +ATOM 3615 CA PHE D 45 -13.753 1.140 -25.852 1.00 24.93 C +ATOM 3616 C PHE D 45 -14.575 2.593 -26.282 1.00 23.30 C +ATOM 3617 O PHE D 45 -15.815 2.187 -25.861 1.00 31.71 O +ATOM 3618 CB PHE D 45 -13.703 0.919 -24.328 1.00 26.07 C +ATOM 3619 CG PHE D 45 -13.645 -0.527 -24.075 1.00 19.10 C +ATOM 3620 CD1 PHE D 45 -14.209 -0.901 -22.815 1.00 43.96 C +ATOM 3621 CD2 PHE D 45 -13.155 -1.495 -24.645 1.00 26.17 C +ATOM 3622 CE1 PHE D 45 -14.066 -2.469 -22.506 1.00 29.49 C +ATOM 3623 CE2 PHE D 45 -12.912 -2.782 -24.307 1.00 32.75 C +ATOM 3624 CZ PHE D 45 -13.459 -3.397 -23.316 1.00 28.04 C +ATOM 3625 N GLY D 46 -14.104 3.279 -26.525 1.00 35.08 N +ATOM 3626 CA GLY D 46 -14.935 4.262 -26.788 1.00 34.51 C +ATOM 3627 C GLY D 46 -15.024 5.841 -25.884 1.00 32.00 C +ATOM 3628 O GLY D 46 -13.703 5.710 -25.436 1.00 42.65 O +ATOM 3629 N ASP D 47 -16.270 6.088 -25.501 1.00 33.75 N +ATOM 3630 CA ASP D 47 -15.315 7.928 -25.257 1.00 43.29 C +ATOM 3631 C ASP D 47 -15.918 7.002 -23.097 1.00 24.69 C +ATOM 3632 O ASP D 47 -17.090 6.340 -23.091 1.00 33.08 O +ATOM 3633 CB ASP D 47 -17.246 8.111 -25.348 1.00 48.49 C +ATOM 3634 CG ASP D 47 -17.316 9.636 -24.481 1.00 50.77 C +ATOM 3635 OD1 ASP D 47 -18.624 9.821 -24.553 1.00 57.75 O +ATOM 3636 OD2 ASP D 47 -16.233 10.163 -24.247 1.00 45.03 O +ATOM 3637 N LEU D 48 -14.887 7.498 -22.782 1.00 25.73 N +ATOM 3638 CA LEU D 48 -14.700 7.013 -21.145 1.00 29.97 C +ATOM 3639 C LEU D 48 -14.723 8.417 -20.213 1.00 32.06 C +ATOM 3640 O LEU D 48 -13.912 8.444 -19.219 1.00 36.43 O +ATOM 3641 CB LEU D 48 -13.472 6.468 -21.109 1.00 41.80 C +ATOM 3642 CG LEU D 48 -13.862 5.004 -21.634 1.00 22.03 C +ATOM 3643 CD1 LEU D 48 -12.363 4.146 -21.342 1.00 37.56 C +ATOM 3644 CD2 LEU D 48 -15.085 4.189 -21.243 1.00 29.67 C +ATOM 3645 N SER D 49 -15.191 9.523 -21.130 1.00 38.40 N +ATOM 3646 CA SER D 49 -14.387 10.788 -20.677 1.00 43.30 C +ATOM 3647 C SER D 49 -15.473 11.721 -19.486 1.00 46.97 C +ATOM 3648 O SER D 49 -14.763 12.145 -18.356 1.00 46.32 O +ATOM 3649 CB SER D 49 -14.644 11.939 -21.771 1.00 47.25 C +ATOM 3650 OG SER D 49 -16.017 12.123 -22.081 1.00 49.74 O +ATOM 3651 N THR D 50 -16.621 11.041 -19.530 1.00 43.91 N +ATOM 3652 CA THR D 50 -16.855 11.313 -17.860 1.00 36.95 C +ATOM 3653 C THR D 50 -18.023 10.172 -17.341 1.00 36.10 C +ATOM 3654 O THR D 50 -18.171 9.157 -18.076 1.00 28.99 O +ATOM 3655 CB THR D 50 -18.590 12.293 -18.547 1.00 37.26 C +ATOM 3656 OG1 THR D 50 -19.750 11.618 -19.297 1.00 36.38 O +ATOM 3657 CG2 THR D 50 -18.025 13.508 -19.178 1.00 56.40 C +ATOM 3658 N PRO D 51 -18.501 10.284 -16.193 1.00 37.42 N +ATOM 3659 CA PRO D 51 -19.225 9.303 -15.560 1.00 32.59 C +ATOM 3660 C PRO D 51 -20.269 8.625 -16.174 1.00 29.25 C +ATOM 3661 O PRO D 51 -20.632 7.313 -16.333 1.00 26.15 O +ATOM 3662 CB PRO D 51 -19.687 9.933 -14.153 1.00 37.41 C +ATOM 3663 CG PRO D 51 -18.587 10.776 -13.939 1.00 36.57 C +ATOM 3664 CD PRO D 51 -18.147 11.586 -15.357 1.00 42.54 C +ATOM 3665 N ASP D 52 -21.166 9.545 -16.896 1.00 30.65 N +ATOM 3666 CA ASP D 52 -22.575 8.738 -17.587 1.00 39.40 C +ATOM 3667 C ASP D 52 -21.861 8.056 -18.864 1.00 56.69 C +ATOM 3668 O ASP D 52 -22.611 7.193 -19.113 1.00 40.69 O +ATOM 3669 CB ASP D 52 -23.192 10.048 -17.807 1.00 43.19 C +ATOM 3670 CG ASP D 52 -24.003 11.080 -16.646 1.00 63.04 C +ATOM 3671 OD1 ASP D 52 -23.975 10.324 -15.803 1.00 49.71 O +ATOM 3672 OD2 ASP D 52 -21.902 12.263 -16.248 1.00 60.40 O +ATOM 3673 N ALA D 53 -21.035 8.713 -19.489 1.00 26.05 N +ATOM 3674 CA ALA D 53 -20.460 8.256 -20.648 1.00 33.75 C +ATOM 3675 C ALA D 53 -19.850 6.612 -20.478 1.00 42.76 C +ATOM 3676 O ALA D 53 -20.052 5.785 -20.744 1.00 38.58 O +ATOM 3677 CB ALA D 53 -19.424 8.739 -21.252 1.00 40.18 C +ATOM 3678 N VAL D 54 -18.829 6.696 -19.306 1.00 27.10 N +ATOM 3679 CA VAL D 54 -18.358 5.224 -18.836 1.00 25.12 C +ATOM 3680 C VAL D 54 -19.446 4.410 -18.467 1.00 26.50 C +ATOM 3681 O VAL D 54 -19.614 3.128 -18.953 1.00 24.76 O +ATOM 3682 CB VAL D 54 -17.388 5.607 -17.705 1.00 26.67 C +ATOM 3683 CG1 VAL D 54 -17.066 4.042 -17.246 1.00 25.19 C +ATOM 3684 CG2 VAL D 54 -16.359 6.289 -17.975 1.00 31.48 C +ATOM 3685 N MET D 55 -20.628 4.739 -17.700 1.00 25.87 N +ATOM 3686 CA MET D 55 -21.589 3.767 -17.229 1.00 29.84 C +ATOM 3687 C MET D 55 -22.865 3.307 -18.556 1.00 35.52 C +ATOM 3688 O MET D 55 -23.112 2.208 -18.285 1.00 32.07 O +ATOM 3689 CB MET D 55 -22.456 4.472 -15.982 1.00 26.28 C +ATOM 3690 CG MET D 55 -21.631 4.626 -15.056 1.00 36.16 C +ATOM 3691 SD MET D 55 -20.389 3.558 -14.111 1.00 25.36 S +ATOM 3692 CE MET D 55 -21.479 2.431 -13.702 1.00 19.21 C +ATOM 3693 N GLY D 56 -22.639 4.442 -19.311 1.00 30.97 N +ATOM 3694 CA GLY D 56 -23.658 3.737 -20.126 1.00 35.09 C +ATOM 3695 C GLY D 56 -22.967 3.067 -21.283 1.00 44.75 C +ATOM 3696 O GLY D 56 -23.331 2.815 -22.514 1.00 34.49 O +ATOM 3697 N ASN D 57 -21.558 3.094 -21.617 1.00 25.90 N +ATOM 3698 CA ASN D 57 -20.747 2.578 -22.658 1.00 29.86 C +ATOM 3699 C ASN D 57 -21.034 1.130 -22.652 1.00 26.15 C +ATOM 3700 O ASN D 57 -20.989 0.128 -21.968 1.00 26.55 O +ATOM 3701 CB ASN D 57 -19.324 2.902 -22.444 1.00 30.42 C +ATOM 3702 CG ASN D 57 -18.502 2.332 -23.503 1.00 23.49 C +ATOM 3703 OD1 ASN D 57 -18.423 1.194 -24.009 1.00 31.02 O +ATOM 3704 ND2 ASN D 57 -17.712 3.179 -23.808 1.00 27.30 N +ATOM 3705 N PRO D 58 -21.467 0.671 -23.926 1.00 29.25 N +ATOM 3706 CA PRO D 58 -21.926 -0.726 -24.096 1.00 25.97 C +ATOM 3707 C PRO D 58 -20.503 -1.629 -24.124 1.00 16.05 C +ATOM 3708 O PRO D 58 -20.837 -2.940 -23.655 1.00 24.61 O +ATOM 3709 CB PRO D 58 -22.522 -0.927 -25.620 1.00 33.18 C +ATOM 3710 CG PRO D 58 -21.947 0.977 -25.418 1.00 59.49 C +ATOM 3711 CD PRO D 58 -21.892 1.180 -25.502 1.00 43.36 C +ATOM 3712 N LYS D 59 -19.460 -1.283 -24.501 1.00 21.03 N +ATOM 3713 CA LYS D 59 -18.361 -2.042 -24.450 1.00 25.38 C +ATOM 3714 C LYS D 59 -17.715 -2.407 -22.856 1.00 17.84 C +ATOM 3715 O LYS D 59 -17.308 -3.569 -22.731 1.00 21.39 O +ATOM 3716 CB LYS D 59 -17.227 -1.661 -25.270 1.00 32.15 C +ATOM 3717 CG LYS D 59 -17.383 -1.768 -26.732 1.00 48.59 C +ATOM 3718 CD LYS D 59 -16.823 -1.145 -27.228 1.00 53.12 C +ATOM 3719 CE LYS D 59 -15.877 -1.703 -28.754 1.00 53.54 C +ATOM 3720 NZ LYS D 59 -16.728 -0.847 -29.838 1.00 62.98 N +ATOM 3721 N VAL D 60 -18.099 -1.250 -22.201 1.00 18.98 N +ATOM 3722 CA VAL D 60 -17.893 -1.490 -20.566 1.00 19.06 C +ATOM 3723 C VAL D 60 -18.582 -2.535 -20.118 1.00 17.34 C +ATOM 3724 O VAL D 60 -18.311 -3.436 -19.262 1.00 23.46 O +ATOM 3725 CB VAL D 60 -17.740 -0.068 -19.973 1.00 21.26 C +ATOM 3726 CG1 VAL D 60 -17.894 -0.452 -18.381 1.00 33.14 C +ATOM 3727 CG2 VAL D 60 -16.838 0.852 -20.547 1.00 22.06 C +ATOM 3728 N LYS D 61 -20.037 -2.374 -20.306 1.00 22.59 N +ATOM 3729 CA LYS D 61 -21.055 -3.383 -19.935 1.00 26.15 C +ATOM 3730 C LYS D 61 -20.810 -4.741 -20.319 1.00 17.30 C +ATOM 3731 O LYS D 61 -20.683 -5.728 -19.595 1.00 21.45 O +ATOM 3732 CB LYS D 61 -22.507 -2.996 -20.257 1.00 26.85 C +ATOM 3733 CG LYS D 61 -22.914 -1.601 -19.668 1.00 38.21 C +ATOM 3734 CD LYS D 61 -23.980 -1.298 -20.293 1.00 63.66 C +ATOM 3735 CE LYS D 61 -25.073 -0.202 -19.530 1.00 68.06 C +ATOM 3736 NZ LYS D 61 -26.116 0.022 -20.150 1.00 60.84 N +ATOM 3737 N ALA D 62 -20.349 -4.906 -21.599 1.00 19.16 N +ATOM 3738 CA ALA D 62 -20.005 -6.284 -22.177 1.00 20.58 C +ATOM 3739 C ALA D 62 -18.862 -7.045 -21.486 1.00 20.27 C +ATOM 3740 O ALA D 62 -18.872 -8.142 -21.107 1.00 20.37 O +ATOM 3741 CB ALA D 62 -19.803 -6.090 -23.619 1.00 22.88 C +ATOM 3742 N HIS D 63 -17.847 -6.087 -21.291 1.00 19.01 N +ATOM 3743 CA HIS D 63 -16.655 -6.703 -20.657 1.00 22.19 C +ATOM 3744 C HIS D 63 -16.866 -6.900 -19.133 1.00 18.77 C +ATOM 3745 O HIS D 63 -16.263 -7.930 -18.702 1.00 19.91 O +ATOM 3746 CB HIS D 63 -15.613 -5.996 -20.822 1.00 33.38 C +ATOM 3747 CG HIS D 63 -13.969 -6.285 -20.598 1.00 22.34 C +ATOM 3748 ND1 HIS D 63 -13.645 -7.369 -21.205 1.00 25.81 N +ATOM 3749 CD2 HIS D 63 -13.423 -5.898 -19.324 1.00 33.81 C +ATOM 3750 CE1 HIS D 63 -12.413 -7.623 -20.166 1.00 24.99 C +ATOM 3751 NE2 HIS D 63 -12.303 -6.521 -19.735 1.00 32.42 N +ATOM 3752 N GLY D 64 -17.554 -5.957 -18.637 1.00 15.38 N +ATOM 3753 CA GLY D 64 -17.922 -6.237 -17.300 1.00 18.66 C +ATOM 3754 C GLY D 64 -18.656 -7.558 -16.822 1.00 23.30 C +ATOM 3755 O GLY D 64 -18.361 -8.374 -16.052 1.00 21.27 O +ATOM 3756 N LYS D 65 -19.546 -7.946 -17.963 1.00 22.12 N +ATOM 3757 CA LYS D 65 -20.149 -9.350 -17.810 1.00 26.40 C +ATOM 3758 C LYS D 65 -19.206 -10.475 -18.054 1.00 25.29 C +ATOM 3759 O LYS D 65 -19.376 -11.449 -17.320 1.00 24.58 O +ATOM 3760 CB LYS D 65 -21.237 -9.249 -19.016 1.00 42.10 C +ATOM 3761 CG LYS D 65 -21.741 -10.662 -18.763 1.00 41.04 C +ATOM 3762 CD LYS D 65 -22.779 -10.191 -20.722 1.00 41.66 C +ATOM 3763 CE LYS D 65 -22.954 -12.381 -20.558 1.00 58.61 C +ATOM 3764 NZ LYS D 65 -24.294 -12.168 -21.421 1.00 49.59 N +ATOM 3765 N LYS D 66 -18.192 -10.318 -18.949 1.00 22.59 N +ATOM 3766 CA LYS D 66 -17.187 -11.342 -19.305 1.00 23.91 C +ATOM 3767 C LYS D 66 -16.648 -11.569 -17.853 1.00 25.32 C +ATOM 3768 O LYS D 66 -16.190 -12.713 -17.500 1.00 23.23 O +ATOM 3769 CB LYS D 66 -16.360 -10.927 -20.397 1.00 18.18 C +ATOM 3770 CG LYS D 66 -15.506 -11.226 -21.025 1.00 49.93 C +ATOM 3771 CD LYS D 66 -15.452 -11.136 -23.086 1.00 31.44 C +ATOM 3772 CE LYS D 66 -14.594 -13.236 -23.101 1.00 50.83 C +ATOM 3773 NZ LYS D 66 -13.105 -13.073 -24.350 1.00 53.30 N +ATOM 3774 N VAL D 67 -16.012 -10.379 -17.238 1.00 17.89 N +ATOM 3775 CA VAL D 67 -15.129 -10.761 -16.039 1.00 17.07 C +ATOM 3776 C VAL D 67 -15.858 -11.174 -14.995 1.00 11.37 C +ATOM 3777 O VAL D 67 -15.392 -12.090 -14.267 1.00 18.26 O +ATOM 3778 CB VAL D 67 -14.485 -9.126 -15.950 1.00 18.16 C +ATOM 3779 CG1 VAL D 67 -14.204 -9.183 -14.372 1.00 22.61 C +ATOM 3780 CG2 VAL D 67 -13.683 -8.637 -17.078 1.00 19.30 C +ATOM 3781 N LEU D 68 -17.081 -10.772 -14.714 1.00 12.24 N +ATOM 3782 CA LEU D 68 -17.709 -11.246 -13.544 1.00 14.83 C +ATOM 3783 C LEU D 68 -18.294 -12.710 -13.662 1.00 13.25 C +ATOM 3784 O LEU D 68 -18.430 -13.575 -12.845 1.00 18.25 O +ATOM 3785 CB LEU D 68 -18.960 -10.522 -12.977 1.00 23.35 C +ATOM 3786 CG LEU D 68 -19.065 -9.950 -11.782 1.00 32.52 C +ATOM 3787 CD1 LEU D 68 -18.211 -10.021 -10.888 1.00 40.78 C +ATOM 3788 CD2 LEU D 68 -20.119 -9.201 -11.516 1.00 39.22 C +ATOM 3789 N GLY D 69 -18.532 -13.001 -15.044 1.00 22.38 N +ATOM 3790 CA GLY D 69 -18.677 -14.387 -15.364 1.00 27.48 C +ATOM 3791 C GLY D 69 -17.639 -15.482 -15.016 1.00 17.57 C +ATOM 3792 O GLY D 69 -17.849 -16.416 -14.366 1.00 21.01 O +ATOM 3793 N ALA D 70 -16.381 -14.966 -15.333 1.00 17.61 N +ATOM 3794 CA ALA D 70 -15.237 -15.816 -14.969 1.00 17.42 C +ATOM 3795 C ALA D 70 -15.098 -15.818 -13.537 1.00 19.59 C +ATOM 3796 O ALA D 70 -14.642 -16.873 -12.761 1.00 18.72 O +ATOM 3797 CB ALA D 70 -14.109 -15.221 -15.702 1.00 18.83 C +ATOM 3798 N PHE D 71 -15.369 -14.689 -12.922 1.00 18.97 N +ATOM 3799 CA PHE D 71 -15.352 -14.546 -11.295 1.00 24.55 C +ATOM 3800 C PHE D 71 -16.405 -15.564 -10.716 1.00 22.73 C +ATOM 3801 O PHE D 71 -15.988 -16.296 -9.916 1.00 26.00 O +ATOM 3802 CB PHE D 71 -15.526 -13.076 -10.943 1.00 18.78 C +ATOM 3803 CG PHE D 71 -15.587 -12.889 -9.418 1.00 15.63 C +ATOM 3804 CD1 PHE D 71 -14.330 -12.356 -8.913 1.00 23.81 C +ATOM 3805 CD2 PHE D 71 -16.955 -13.108 -8.941 1.00 34.86 C +ATOM 3806 CE1 PHE D 71 -14.431 -12.324 -7.507 1.00 19.91 C +ATOM 3807 CE2 PHE D 71 -16.645 -13.000 -7.472 1.00 36.36 C +ATOM 3808 CZ PHE D 71 -15.423 -12.584 -6.796 1.00 26.08 C +ATOM 3809 N SER D 72 -17.526 -15.632 -11.448 1.00 19.94 N +ATOM 3810 CA SER D 72 -18.560 -16.484 -11.205 1.00 23.38 C +ATOM 3811 C SER D 72 -18.098 -17.836 -10.814 1.00 24.72 C +ATOM 3812 O SER D 72 -18.305 -18.802 -9.908 1.00 26.53 O +ATOM 3813 CB SER D 72 -20.212 -16.588 -11.400 1.00 29.23 C +ATOM 3814 OG SER D 72 -20.268 -15.282 -11.624 1.00 41.11 O +ATOM 3815 N ASP D 73 -17.601 -18.307 -12.047 1.00 28.33 N +ATOM 3816 CA ASP D 73 -16.810 -19.464 -12.087 1.00 41.54 C +ATOM 3817 C ASP D 73 -16.106 -20.105 -11.342 1.00 28.94 C +ATOM 3818 O ASP D 73 -15.997 -21.061 -10.645 1.00 34.21 O +ATOM 3819 CB ASP D 73 -16.190 -20.100 -13.720 1.00 46.96 C +ATOM 3820 CG ASP D 73 -17.426 -20.027 -14.053 1.00 54.92 C +ATOM 3821 OD1 ASP D 73 -18.701 -19.481 -14.810 1.00 44.49 O +ATOM 3822 OD2 ASP D 73 -16.811 -19.333 -16.112 1.00 50.27 O +ATOM 3823 N GLY D 74 -15.211 -19.059 -10.501 1.00 26.75 N +ATOM 3824 CA GLY D 74 -14.376 -19.390 -9.473 1.00 22.69 C +ATOM 3825 C GLY D 74 -14.851 -19.537 -8.039 1.00 23.14 C +ATOM 3826 O GLY D 74 -14.419 -20.191 -7.094 1.00 29.20 O +ATOM 3827 N LEU D 75 -16.177 -18.924 -8.005 1.00 21.18 N +ATOM 3828 CA LEU D 75 -16.870 -19.385 -6.815 1.00 34.17 C +ATOM 3829 C LEU D 75 -17.117 -20.780 -6.565 1.00 37.46 C +ATOM 3830 O LEU D 75 -17.563 -21.063 -5.534 1.00 40.90 O +ATOM 3831 CB LEU D 75 -18.078 -18.207 -6.714 1.00 36.63 C +ATOM 3832 CG LEU D 75 -17.957 -16.908 -6.209 1.00 28.96 C +ATOM 3833 CD1 LEU D 75 -16.674 -16.783 -5.652 1.00 54.84 C +ATOM 3834 CD2 LEU D 75 -18.450 -15.831 -6.570 1.00 41.72 C +ATOM 3835 N ALA D 76 -17.372 -21.329 -7.689 1.00 36.74 N +ATOM 3836 CA ALA D 76 -17.490 -23.239 -8.009 1.00 46.27 C +ATOM 3837 C ALA D 76 -16.460 -23.394 -7.753 1.00 39.68 C +ATOM 3838 O ALA D 76 -16.371 -24.793 -7.251 1.00 39.55 O +ATOM 3839 CB ALA D 76 -18.034 -22.779 -9.158 1.00 52.59 C +ATOM 3840 N HIS D 77 -15.221 -22.931 -7.252 1.00 34.88 N +ATOM 3841 CA HIS D 77 -14.175 -23.705 -7.014 1.00 37.75 C +ATOM 3842 C HIS D 77 -12.911 -22.947 -6.253 1.00 36.30 C +ATOM 3843 O HIS D 77 -11.715 -22.807 -6.207 1.00 30.91 O +ATOM 3844 CB HIS D 77 -13.016 -23.968 -8.303 1.00 35.95 C +ATOM 3845 CG HIS D 77 -13.662 -24.672 -9.381 1.00 39.15 C +ATOM 3846 ND1 HIS D 77 -14.327 -23.756 -10.232 1.00 58.22 N +ATOM 3847 CD2 HIS D 77 -13.455 -26.062 -9.566 1.00 48.66 C +ATOM 3848 CE1 HIS D 77 -15.214 -25.034 -11.337 1.00 49.77 C +ATOM 3849 NE2 HIS D 77 -14.945 -25.798 -10.683 1.00 36.55 N +ATOM 3850 N LEU D 78 -13.652 -22.590 -4.941 1.00 30.38 N +ATOM 3851 CA LEU D 78 -13.049 -22.225 -3.904 1.00 35.53 C +ATOM 3852 C LEU D 78 -11.853 -22.307 -3.241 1.00 31.52 C +ATOM 3853 O LEU D 78 -11.095 -21.930 -2.681 1.00 30.87 O +ATOM 3854 CB LEU D 78 -14.166 -21.218 -2.929 1.00 35.71 C +ATOM 3855 CG LEU D 78 -14.517 -19.696 -3.089 1.00 42.09 C +ATOM 3856 CD1 LEU D 78 -16.000 -19.812 -2.269 1.00 40.33 C +ATOM 3857 CD2 LEU D 78 -14.206 -18.936 -3.409 1.00 43.79 C +ATOM 3858 N ASP D 79 -11.841 -23.798 -3.366 1.00 27.09 N +ATOM 3859 CA ASP D 79 -10.671 -24.163 -2.603 1.00 39.93 C +ATOM 3860 C ASP D 79 -9.351 -24.818 -3.691 1.00 38.31 C +ATOM 3861 O ASP D 79 -8.220 -24.950 -3.380 1.00 37.24 O +ATOM 3862 CB ASP D 79 -11.204 -25.807 -2.720 1.00 49.19 C +ATOM 3863 CG ASP D 79 -12.348 -25.806 -2.280 1.00 60.14 C +ATOM 3864 OD1 ASP D 79 -12.747 -27.563 -1.436 1.00 58.54 O +ATOM 3865 OD2 ASP D 79 -11.720 -25.378 -0.450 1.00 49.76 O +ATOM 3866 N ASN D 80 -9.928 -24.165 -4.813 1.00 33.30 N +ATOM 3867 CA ASN D 80 -8.432 -24.074 -5.725 1.00 41.52 C +ATOM 3868 C ASN D 80 -8.757 -22.972 -7.024 1.00 29.72 C +ATOM 3869 O ASN D 80 -8.410 -23.186 -8.009 1.00 26.63 O +ATOM 3870 CB ASN D 80 -8.335 -25.027 -6.387 1.00 65.88 C +ATOM 3871 CG ASN D 80 -8.226 -26.006 -7.178 1.00 79.70 C +ATOM 3872 OD1 ASN D 80 -6.646 -26.141 -7.665 1.00 64.12 O +ATOM 3873 ND2 ASN D 80 -9.445 -26.052 -7.340 1.00 80.04 N +ATOM 3874 N LEU D 81 -8.454 -21.884 -6.206 1.00 24.36 N +ATOM 3875 CA LEU D 81 -8.539 -20.715 -7.081 1.00 25.83 C +ATOM 3876 C LEU D 81 -7.273 -20.637 -8.041 1.00 31.94 C +ATOM 3877 O LEU D 81 -7.415 -20.270 -9.214 1.00 25.17 O +ATOM 3878 CB LEU D 81 -8.579 -19.629 -6.126 1.00 20.37 C +ATOM 3879 CG LEU D 81 -9.997 -19.259 -5.589 1.00 25.65 C +ATOM 3880 CD1 LEU D 81 -9.956 -18.414 -4.674 1.00 40.59 C +ATOM 3881 CD2 LEU D 81 -11.103 -19.225 -6.396 1.00 23.30 C +ATOM 3882 N LYS D 82 -6.051 -20.893 -7.415 1.00 30.20 N +ATOM 3883 CA LYS D 82 -4.933 -20.852 -8.394 1.00 28.24 C +ATOM 3884 C LYS D 82 -5.124 -21.707 -9.528 1.00 33.91 C +ATOM 3885 O LYS D 82 -4.821 -21.459 -10.648 1.00 25.48 O +ATOM 3886 CB LYS D 82 -3.611 -21.239 -7.521 1.00 33.73 C +ATOM 3887 CG LYS D 82 -3.123 -20.210 -6.921 1.00 40.61 C +ATOM 3888 CD LYS D 82 -1.453 -20.533 -6.100 1.00 64.29 C +ATOM 3889 CE LYS D 82 -2.245 -18.592 -4.901 1.00 50.61 C +ATOM 3890 NZ LYS D 82 -1.640 -20.210 -4.012 1.00 57.77 N +ATOM 3891 N GLY D 83 -5.684 -23.133 -9.543 1.00 30.21 N +ATOM 3892 CA GLY D 83 -5.556 -24.039 -10.631 1.00 23.41 C +ATOM 3893 C GLY D 83 -6.710 -23.708 -11.373 1.00 31.79 C +ATOM 3894 O GLY D 83 -6.545 -23.384 -12.827 1.00 27.38 O +ATOM 3895 N THR D 84 -7.929 -22.850 -10.943 1.00 27.06 N +ATOM 3896 CA THR D 84 -8.896 -22.475 -11.769 1.00 31.17 C +ATOM 3897 C THR D 84 -8.254 -21.368 -12.862 1.00 35.08 C +ATOM 3898 O THR D 84 -9.023 -21.163 -13.732 1.00 26.93 O +ATOM 3899 CB THR D 84 -10.186 -21.934 -10.990 1.00 26.68 C +ATOM 3900 OG1 THR D 84 -10.450 -22.939 -10.341 1.00 41.82 O +ATOM 3901 CG2 THR D 84 -11.436 -21.350 -11.615 1.00 32.36 C +ATOM 3902 N PHE D 85 -7.713 -20.405 -12.026 1.00 23.78 N +ATOM 3903 CA PHE D 85 -7.538 -18.984 -12.806 1.00 17.94 C +ATOM 3904 C PHE D 85 -6.138 -19.115 -13.564 1.00 20.32 C +ATOM 3905 O PHE D 85 -5.528 -18.116 -14.137 1.00 18.46 O +ATOM 3906 CB PHE D 85 -7.425 -17.913 -11.819 1.00 16.82 C +ATOM 3907 CG PHE D 85 -8.885 -17.567 -11.680 1.00 15.41 C +ATOM 3908 CD1 PHE D 85 -9.422 -17.861 -10.346 1.00 21.43 C +ATOM 3909 CD2 PHE D 85 -9.605 -16.833 -12.552 1.00 29.52 C +ATOM 3910 CE1 PHE D 85 -10.820 -17.512 -9.993 1.00 27.35 C +ATOM 3911 CE2 PHE D 85 -11.060 -16.678 -12.198 1.00 23.38 C +ATOM 3912 CZ PHE D 85 -11.788 -16.979 -10.988 1.00 20.96 C +ATOM 3913 N ALA D 86 -5.306 -20.190 -13.510 1.00 16.78 N +ATOM 3914 CA ALA D 86 -3.786 -20.129 -13.990 1.00 21.66 C +ATOM 3915 C ALA D 86 -3.859 -19.751 -15.592 1.00 13.70 C +ATOM 3916 O ALA D 86 -2.977 -18.900 -15.942 1.00 16.83 O +ATOM 3917 CB ALA D 86 -3.276 -21.717 -14.150 1.00 23.60 C +ATOM 3918 N THR D 87 -4.799 -20.235 -16.291 1.00 17.09 N +ATOM 3919 CA THR D 87 -4.700 -19.770 -17.696 1.00 15.85 C +ATOM 3920 C THR D 87 -4.913 -18.223 -17.934 1.00 17.61 C +ATOM 3921 O THR D 87 -4.226 -17.589 -18.665 1.00 21.97 O +ATOM 3922 CB THR D 87 -5.803 -20.551 -18.552 1.00 23.34 C +ATOM 3923 OG1 THR D 87 -5.495 -21.943 -18.388 1.00 26.37 O +ATOM 3924 CG2 THR D 87 -5.595 -20.344 -19.930 1.00 26.08 C +ATOM 3925 N LEU D 88 -5.980 -17.807 -17.359 1.00 19.60 N +ATOM 3926 CA LEU D 88 -6.271 -16.457 -17.415 1.00 18.18 C +ATOM 3927 C LEU D 88 -5.187 -15.518 -16.684 1.00 15.66 C +ATOM 3928 O LEU D 88 -4.841 -14.368 -17.168 1.00 16.54 O +ATOM 3929 CB LEU D 88 -7.631 -16.058 -16.725 1.00 24.93 C +ATOM 3930 CG LEU D 88 -8.806 -16.413 -17.604 1.00 29.68 C +ATOM 3931 CD1 LEU D 88 -9.913 -16.362 -16.626 1.00 33.11 C +ATOM 3932 CD2 LEU D 88 -8.780 -15.785 -18.779 1.00 21.96 C +ATOM 3933 N SER D 89 -4.550 -16.190 -15.577 1.00 21.20 N +ATOM 3934 CA SER D 89 -3.384 -15.545 -14.950 1.00 17.78 C +ATOM 3935 C SER D 89 -2.295 -15.067 -15.986 1.00 16.70 C +ATOM 3936 O SER D 89 -1.619 -14.055 -16.257 1.00 15.86 O +ATOM 3937 CB SER D 89 -2.725 -16.272 -13.880 1.00 19.29 C +ATOM 3938 OG SER D 89 -1.733 -15.529 -13.240 1.00 14.95 O +ATOM 3939 N GLU D 90 -1.806 -16.218 -16.719 1.00 15.58 N +ATOM 3940 CA GLU D 90 -0.961 -16.101 -17.900 1.00 21.65 C +ATOM 3941 C GLU D 90 -1.319 -15.129 -19.030 1.00 13.57 C +ATOM 3942 O GLU D 90 -0.576 -14.403 -19.451 1.00 18.38 O +ATOM 3943 CB GLU D 90 -0.700 -17.640 -18.253 1.00 19.08 C +ATOM 3944 CG GLU D 90 0.585 -17.390 -19.009 1.00 38.09 C +ATOM 3945 CD GLU D 90 0.916 -19.788 -19.196 1.00 62.85 C +ATOM 3946 OE1 GLU D 90 0.495 -19.279 -20.696 1.00 54.38 O +ATOM 3947 OE2 GLU D 90 -0.172 -20.134 -18.632 1.00 49.69 O +ATOM 3948 N LEU D 91 -2.614 -15.260 -19.279 1.00 12.64 N +ATOM 3949 CA LEU D 91 -2.918 -14.282 -20.199 1.00 11.29 C +ATOM 3950 C LEU D 91 -2.769 -12.767 -19.975 1.00 14.82 C +ATOM 3951 O LEU D 91 -2.486 -11.814 -20.708 1.00 14.36 O +ATOM 3952 CB LEU D 91 -4.443 -14.616 -20.526 1.00 13.30 C +ATOM 3953 CG LEU D 91 -5.325 -13.643 -21.412 1.00 17.13 C +ATOM 3954 CD1 LEU D 91 -4.702 -13.618 -23.000 1.00 25.95 C +ATOM 3955 CD2 LEU D 91 -6.752 -13.787 -21.472 1.00 20.87 C +ATOM 3956 N HIS D 92 -3.278 -12.509 -18.598 1.00 14.55 N +ATOM 3957 CA HIS D 92 -3.429 -10.968 -18.356 1.00 18.41 C +ATOM 3958 C HIS D 92 -1.750 -10.659 -17.942 1.00 25.22 C +ATOM 3959 O HIS D 92 -1.542 -9.487 -18.276 1.00 15.09 O +ATOM 3960 CB HIS D 92 -3.870 -11.061 -16.956 1.00 16.94 C +ATOM 3961 CG HIS D 92 -5.443 -10.779 -17.044 1.00 14.87 C +ATOM 3962 ND1 HIS D 92 -6.226 -12.088 -17.324 1.00 14.65 N +ATOM 3963 CD2 HIS D 92 -6.494 -9.930 -17.027 1.00 12.93 C +ATOM 3964 CE1 HIS D 92 -7.513 -11.488 -17.344 1.00 12.97 C +ATOM 3965 NE2 HIS D 92 -7.794 -10.264 -17.456 1.00 18.10 N +ATOM 3966 N CYS D 93 -0.853 -11.610 -17.750 1.00 16.12 N +ATOM 3967 CA CYS D 93 0.671 -11.156 -17.799 1.00 16.35 C +ATOM 3968 C CYS D 93 1.184 -10.895 -19.303 1.00 18.55 C +ATOM 3969 O CYS D 93 1.616 -9.948 -19.471 1.00 17.22 O +ATOM 3970 CB CYS D 93 1.177 -12.201 -16.844 1.00 20.93 C +ATOM 3971 SG CYS D 93 3.106 -11.680 -16.838 1.00 18.90 S +ATOM 3972 N ASP D 94 1.071 -12.148 -19.853 1.00 14.32 N +ATOM 3973 CA ASP D 94 2.076 -12.170 -21.195 1.00 16.01 C +ATOM 3974 C ASP D 94 1.351 -11.461 -22.242 1.00 19.68 C +ATOM 3975 O ASP D 94 1.981 -11.016 -23.089 1.00 27.14 O +ATOM 3976 CB ASP D 94 2.163 -13.661 -21.334 1.00 20.44 C +ATOM 3977 CG ASP D 94 3.220 -14.533 -20.409 1.00 36.43 C +ATOM 3978 OD1 ASP D 94 3.523 -13.728 -19.788 1.00 32.86 O +ATOM 3979 OD2 ASP D 94 2.735 -15.960 -20.657 1.00 40.09 O +ATOM 3980 N LYS D 95 0.079 -11.509 -22.378 1.00 14.90 N +ATOM 3981 CA LYS D 95 -0.657 -10.830 -23.618 1.00 16.76 C +ATOM 3982 C LYS D 95 -1.037 -9.542 -23.369 1.00 18.82 C +ATOM 3983 O LYS D 95 -1.025 -8.517 -23.887 1.00 19.72 O +ATOM 3984 CB LYS D 95 -1.739 -11.719 -24.171 1.00 24.57 C +ATOM 3985 CG LYS D 95 -1.405 -13.254 -24.270 1.00 49.61 C +ATOM 3986 CD LYS D 95 0.033 -12.822 -25.830 1.00 60.17 C +ATOM 3987 CE LYS D 95 0.875 -13.698 -26.541 1.00 57.82 C +ATOM 3988 NZ LYS D 95 1.951 -12.652 -27.842 1.00 59.53 N +ATOM 3989 N LEU D 96 -1.816 -9.347 -21.943 1.00 16.80 N +ATOM 3990 CA LEU D 96 -2.489 -8.095 -21.711 1.00 16.58 C +ATOM 3991 C LEU D 96 -1.557 -6.998 -20.981 1.00 16.01 C +ATOM 3992 O LEU D 96 -2.025 -5.870 -20.986 1.00 15.73 O +ATOM 3993 CB LEU D 96 -3.813 -8.447 -21.040 1.00 21.01 C +ATOM 3994 CG LEU D 96 -4.799 -9.421 -21.657 1.00 22.06 C +ATOM 3995 CD1 LEU D 96 -6.039 -9.748 -20.763 1.00 15.50 C +ATOM 3996 CD2 LEU D 96 -5.152 -8.823 -22.921 1.00 34.04 C +ATOM 3997 N HIS D 97 -0.781 -7.579 -20.217 1.00 18.03 N +ATOM 3998 CA HIS D 97 0.244 -6.637 -19.580 1.00 18.48 C +ATOM 3999 C HIS D 97 -0.432 -5.796 -18.443 1.00 13.60 C +ATOM 4000 O HIS D 97 -0.253 -4.620 -18.215 1.00 15.07 O +ATOM 4001 CB HIS D 97 0.990 -5.653 -20.400 1.00 24.24 C +ATOM 4002 CG HIS D 97 1.776 -6.391 -21.656 1.00 28.24 C +ATOM 4003 ND1 HIS D 97 2.554 -7.432 -21.385 1.00 26.25 N +ATOM 4004 CD2 HIS D 97 1.271 -6.244 -22.910 1.00 35.10 C +ATOM 4005 CE1 HIS D 97 3.136 -7.961 -22.703 1.00 25.85 C +ATOM 4006 NE2 HIS D 97 2.325 -7.208 -23.322 1.00 28.28 N +ATOM 4007 N VAL D 98 -1.455 -6.545 -17.703 1.00 15.21 N +ATOM 4008 CA VAL D 98 -2.210 -5.794 -16.736 1.00 14.55 C +ATOM 4009 C VAL D 98 -1.489 -5.841 -15.285 1.00 10.52 C +ATOM 4010 O VAL D 98 -1.368 -7.002 -14.827 1.00 11.77 O +ATOM 4011 CB VAL D 98 -3.549 -6.468 -16.502 1.00 15.30 C +ATOM 4012 CG1 VAL D 98 -4.339 -5.933 -15.325 1.00 15.30 C +ATOM 4013 CG2 VAL D 98 -4.285 -6.152 -17.968 1.00 17.14 C +ATOM 4014 N ASP D 99 -1.167 -4.730 -14.701 1.00 9.86 N +ATOM 4015 CA ASP D 99 -0.610 -4.765 -13.282 1.00 10.99 C +ATOM 4016 C ASP D 99 -1.652 -5.465 -12.445 1.00 12.34 C +ATOM 4017 O ASP D 99 -2.837 -4.921 -12.433 1.00 15.90 O +ATOM 4018 CB ASP D 99 -0.421 -3.334 -12.976 1.00 12.59 C +ATOM 4019 CG ASP D 99 0.231 -3.018 -11.481 1.00 12.64 C +ATOM 4020 OD1 ASP D 99 0.529 -1.770 -11.464 1.00 11.35 O +ATOM 4021 OD2 ASP D 99 0.421 -4.097 -10.818 1.00 14.04 O +ATOM 4022 N PRO D 100 -1.293 -6.422 -11.755 1.00 16.57 N +ATOM 4023 CA PRO D 100 -2.075 -7.130 -10.712 1.00 11.14 C +ATOM 4024 C PRO D 100 -2.767 -6.164 -9.672 1.00 11.03 C +ATOM 4025 O PRO D 100 -3.730 -6.728 -9.131 1.00 12.40 O +ATOM 4026 CB PRO D 100 -1.455 -8.509 -10.454 1.00 18.57 C +ATOM 4027 CG PRO D 100 -0.120 -8.351 -10.644 1.00 16.52 C +ATOM 4028 CD PRO D 100 0.008 -7.085 -11.678 1.00 15.61 C +ATOM 4029 N GLU D 101 -2.120 -5.022 -9.432 1.00 9.29 N +ATOM 4030 CA GLU D 101 -2.721 -4.184 -8.535 1.00 12.45 C +ATOM 4031 C GLU D 101 -4.150 -3.766 -8.894 1.00 20.07 C +ATOM 4032 O GLU D 101 -5.139 -3.640 -8.044 1.00 15.47 O +ATOM 4033 CB GLU D 101 -1.898 -2.971 -8.352 1.00 18.48 C +ATOM 4034 CG GLU D 101 -2.751 -1.912 -7.301 1.00 30.49 C +ATOM 4035 CD GLU D 101 -2.928 -2.595 -5.361 1.00 32.99 C +ATOM 4036 OE1 GLU D 101 -1.814 -3.251 -5.501 1.00 22.72 O +ATOM 4037 OE2 GLU D 101 -3.790 -1.433 -5.275 1.00 37.16 O +ATOM 4038 N ASN D 102 -4.416 -3.866 -10.222 1.00 14.86 N +ATOM 4039 CA ASN D 102 -5.827 -3.553 -10.820 1.00 14.38 C +ATOM 4040 C ASN D 102 -6.730 -4.706 -10.375 1.00 12.83 C +ATOM 4041 O ASN D 102 -8.073 -4.305 -10.051 1.00 15.98 O +ATOM 4042 CB ASN D 102 -5.825 -3.726 -12.202 1.00 15.85 C +ATOM 4043 CG ASN D 102 -5.178 -2.418 -12.728 1.00 20.86 C +ATOM 4044 OD1 ASN D 102 -5.594 -1.386 -12.707 1.00 17.49 O +ATOM 4045 ND2 ASN D 102 -3.900 -2.610 -13.401 1.00 22.52 N +ATOM 4046 N PHE D 103 -6.450 -5.902 -10.088 1.00 11.06 N +ATOM 4047 CA PHE D 103 -7.223 -7.062 -9.594 1.00 11.10 C +ATOM 4048 C PHE D 103 -7.838 -6.627 -8.138 1.00 14.83 C +ATOM 4049 O PHE D 103 -9.038 -6.926 -7.755 1.00 12.07 O +ATOM 4050 CB PHE D 103 -6.641 -8.378 -9.453 1.00 14.26 C +ATOM 4051 CG PHE D 103 -5.978 -8.685 -10.884 1.00 14.43 C +ATOM 4052 CD1 PHE D 103 -6.722 -8.442 -12.150 1.00 22.91 C +ATOM 4053 CD2 PHE D 103 -4.777 -9.418 -10.920 1.00 19.84 C +ATOM 4054 CE1 PHE D 103 -6.285 -8.812 -13.376 1.00 22.48 C +ATOM 4055 CE2 PHE D 103 -4.350 -9.752 -12.200 1.00 13.44 C +ATOM 4056 CZ PHE D 103 -4.988 -9.426 -13.435 1.00 16.91 C +ATOM 4057 N ARG D 104 -6.979 -6.041 -7.313 1.00 14.96 N +ATOM 4058 CA ARG D 104 -7.236 -5.640 -5.946 1.00 18.64 C +ATOM 4059 C ARG D 104 -8.352 -4.439 -5.984 1.00 17.76 C +ATOM 4060 O ARG D 104 -9.251 -4.482 -5.206 1.00 14.29 O +ATOM 4061 CB ARG D 104 -5.925 -5.205 -5.097 1.00 19.67 C +ATOM 4062 CG ARG D 104 -5.188 -6.366 -5.055 1.00 39.66 C +ATOM 4063 CD ARG D 104 -3.686 -6.042 -4.324 1.00 67.99 C +ATOM 4064 NE ARG D 104 -3.285 -7.833 -4.405 1.00 67.11 N +ATOM 4065 CZ ARG D 104 -0.829 -7.130 -4.074 1.00 80.12 C +ATOM 4066 NH1 ARG D 104 -1.228 -5.714 -3.904 1.00 77.56 N +ATOM 4067 NH2 ARG D 104 -1.024 -7.904 -3.149 1.00 80.12 N +ATOM 4068 N LEU D 105 -8.019 -3.490 -6.857 1.00 14.78 N +ATOM 4069 CA LEU D 105 -8.933 -2.377 -6.997 1.00 11.66 C +ATOM 4070 C LEU D 105 -10.366 -2.815 -7.384 1.00 13.52 C +ATOM 4071 O LEU D 105 -11.325 -2.484 -6.781 1.00 12.56 O +ATOM 4072 CB LEU D 105 -8.385 -1.463 -7.865 1.00 16.32 C +ATOM 4073 CG LEU D 105 -7.155 -0.533 -7.691 1.00 23.61 C +ATOM 4074 CD1 LEU D 105 -6.564 0.347 -8.601 1.00 25.65 C +ATOM 4075 CD2 LEU D 105 -7.175 -0.008 -6.272 1.00 30.28 C +ATOM 4076 N LEU D 106 -10.388 -3.731 -8.359 1.00 11.11 N +ATOM 4077 CA LEU D 106 -11.776 -4.169 -8.774 1.00 10.81 C +ATOM 4078 C LEU D 106 -12.425 -4.909 -7.735 1.00 7.04 C +ATOM 4079 O LEU D 106 -13.596 -4.860 -7.508 1.00 8.65 O +ATOM 4080 CB LEU D 106 -11.565 -5.136 -9.996 1.00 12.84 C +ATOM 4081 CG LEU D 106 -12.908 -5.591 -10.559 1.00 16.25 C +ATOM 4082 CD1 LEU D 106 -13.855 -4.506 -11.046 1.00 16.77 C +ATOM 4083 CD2 LEU D 106 -12.516 -6.548 -11.540 1.00 20.04 C +ATOM 4084 N GLY D 107 -11.735 -5.688 -6.939 1.00 12.52 N +ATOM 4085 CA GLY D 107 -12.179 -6.516 -5.777 1.00 16.15 C +ATOM 4086 C GLY D 107 -12.899 -5.574 -4.792 1.00 14.99 C +ATOM 4087 O GLY D 107 -14.015 -5.773 -4.332 1.00 12.81 O +ATOM 4088 N ASN D 108 -12.285 -4.436 -4.514 1.00 12.36 N +ATOM 4089 CA ASN D 108 -12.802 -3.491 -3.621 1.00 14.00 C +ATOM 4090 C ASN D 108 -13.963 -2.724 -4.098 1.00 11.43 C +ATOM 4091 O ASN D 108 -15.056 -2.507 -3.385 1.00 12.39 O +ATOM 4092 CB ASN D 108 -11.844 -2.454 -3.053 1.00 18.57 C +ATOM 4093 CG ASN D 108 -10.617 -3.293 -1.988 1.00 22.26 C +ATOM 4094 OD1 ASN D 108 -11.199 -4.293 -1.311 1.00 22.78 O +ATOM 4095 ND2 ASN D 108 -9.853 -2.344 -1.843 1.00 30.03 N +ATOM 4096 N VAL D 109 -13.924 -2.387 -5.385 1.00 10.09 N +ATOM 4097 CA VAL D 109 -15.064 -1.848 -6.032 1.00 8.21 C +ATOM 4098 C VAL D 109 -16.234 -2.783 -6.101 1.00 9.89 C +ATOM 4099 O VAL D 109 -17.335 -2.321 -5.728 1.00 11.76 O +ATOM 4100 CB VAL D 109 -14.656 -1.351 -7.492 1.00 11.59 C +ATOM 4101 CG1 VAL D 109 -15.861 -0.846 -8.320 1.00 17.96 C +ATOM 4102 CG2 VAL D 109 -13.771 -0.178 -7.377 1.00 17.98 C +ATOM 4103 N LEU D 110 -15.952 -4.083 -6.403 1.00 9.62 N +ATOM 4104 CA LEU D 110 -17.024 -5.059 -6.369 1.00 14.08 C +ATOM 4105 C LEU D 110 -17.831 -5.035 -5.141 1.00 11.97 C +ATOM 4106 O LEU D 110 -19.008 -5.257 -4.826 1.00 10.97 O +ATOM 4107 CB LEU D 110 -16.600 -6.309 -6.770 1.00 15.34 C +ATOM 4108 CG LEU D 110 -17.478 -7.458 -6.761 1.00 14.97 C +ATOM 4109 CD1 LEU D 110 -18.670 -7.282 -7.592 1.00 23.21 C +ATOM 4110 CD2 LEU D 110 -16.862 -8.829 -7.132 1.00 26.92 C +ATOM 4111 N VAL D 111 -16.932 -5.013 -3.909 1.00 14.50 N +ATOM 4112 CA VAL D 111 -17.557 -5.003 -2.482 1.00 11.82 C +ATOM 4113 C VAL D 111 -18.496 -3.835 -2.339 1.00 14.01 C +ATOM 4114 O VAL D 111 -19.560 -3.938 -1.746 1.00 12.03 O +ATOM 4115 CB VAL D 111 -16.468 -5.174 -1.423 1.00 12.62 C +ATOM 4116 CG1 VAL D 111 -17.105 -4.887 -0.077 1.00 15.85 C +ATOM 4117 CG2 VAL D 111 -15.845 -6.615 -1.505 1.00 10.77 C +ATOM 4118 N CYS D 112 -17.954 -2.598 -2.876 1.00 13.62 N +ATOM 4119 CA CYS D 112 -18.674 -1.428 -2.875 1.00 13.72 C +ATOM 4120 C CYS D 112 -20.245 -1.545 -3.397 1.00 20.10 C +ATOM 4121 O CYS D 112 -21.199 -1.153 -2.984 1.00 16.56 O +ATOM 4122 CB CYS D 112 -18.077 -0.213 -3.441 1.00 12.95 C +ATOM 4123 SG CYS D 112 -16.890 0.371 -2.238 1.00 15.21 S +ATOM 4124 N VAL D 113 -20.090 -2.259 -4.565 1.00 17.02 N +ATOM 4125 CA VAL D 113 -21.229 -2.476 -5.537 1.00 12.28 C +ATOM 4126 C VAL D 113 -22.216 -3.415 -4.943 1.00 12.56 C +ATOM 4127 O VAL D 113 -23.393 -3.166 -4.833 1.00 15.84 O +ATOM 4128 CB VAL D 113 -20.819 -3.012 -6.914 1.00 17.85 C +ATOM 4129 CG1 VAL D 113 -22.007 -3.440 -7.657 1.00 18.74 C +ATOM 4130 CG2 VAL D 113 -20.123 -1.688 -7.807 1.00 21.41 C +ATOM 4131 N LEU D 114 -21.799 -4.480 -4.273 1.00 10.75 N +ATOM 4132 CA LEU D 114 -22.611 -5.453 -3.526 1.00 10.78 C +ATOM 4133 C LEU D 114 -23.336 -4.689 -2.455 1.00 19.00 C +ATOM 4134 O LEU D 114 -24.454 -4.811 -2.196 1.00 11.46 O +ATOM 4135 CB LEU D 114 -21.815 -6.582 -3.114 1.00 14.56 C +ATOM 4136 CG LEU D 114 -21.183 -7.401 -4.241 1.00 17.11 C +ATOM 4137 CD1 LEU D 114 -20.368 -8.591 -3.652 1.00 17.06 C +ATOM 4138 CD2 LEU D 114 -22.473 -8.135 -5.021 1.00 20.86 C +ATOM 4139 N ALA D 115 -22.573 -3.965 -1.677 1.00 11.71 N +ATOM 4140 CA ALA D 115 -23.177 -3.124 -0.512 1.00 11.69 C +ATOM 4141 C ALA D 115 -24.286 -2.193 -1.056 1.00 15.12 C +ATOM 4142 O ALA D 115 -25.190 -2.078 -0.405 1.00 15.47 O +ATOM 4143 CB ALA D 115 -22.014 -2.336 0.283 1.00 12.28 C +ATOM 4144 N HIS D 116 -23.996 -1.420 -2.116 1.00 15.03 N +ATOM 4145 CA HIS D 116 -24.955 -0.497 -2.730 1.00 12.09 C +ATOM 4146 C HIS D 116 -26.163 -1.244 -3.183 1.00 12.50 C +ATOM 4147 O HIS D 116 -27.367 -0.733 -2.977 1.00 15.93 O +ATOM 4148 CB HIS D 116 -24.260 0.137 -3.930 1.00 20.66 C +ATOM 4149 CG HIS D 116 -25.177 1.236 -4.511 1.00 27.72 C +ATOM 4150 ND1 HIS D 116 -25.302 1.194 -5.752 1.00 29.99 N +ATOM 4151 CD2 HIS D 116 -25.633 2.207 -3.823 1.00 30.96 C +ATOM 4152 CE1 HIS D 116 -26.002 2.415 -6.103 1.00 27.26 C +ATOM 4153 NE2 HIS D 116 -26.344 3.000 -4.762 1.00 28.89 N +ATOM 4154 N HIS D 117 -26.018 -2.363 -3.828 1.00 13.33 N +ATOM 4155 CA HIS D 117 -27.076 -3.136 -4.425 1.00 15.24 C +ATOM 4156 C HIS D 117 -27.870 -3.712 -3.255 1.00 17.50 C +ATOM 4157 O HIS D 117 -29.133 -3.855 -3.315 1.00 16.06 O +ATOM 4158 CB HIS D 117 -26.496 -4.135 -5.434 1.00 17.22 C +ATOM 4159 CG HIS D 117 -27.385 -4.774 -6.024 1.00 54.91 C +ATOM 4160 ND1 HIS D 117 -28.250 -3.991 -7.312 1.00 47.40 N +ATOM 4161 CD2 HIS D 117 -28.517 -5.901 -5.930 1.00 49.34 C +ATOM 4162 CE1 HIS D 117 -29.253 -5.278 -7.522 1.00 48.36 C +ATOM 4163 NE2 HIS D 117 -29.230 -6.041 -6.924 1.00 37.10 N +ATOM 4164 N PHE D 118 -27.360 -4.464 -2.297 1.00 14.50 N +ATOM 4165 CA PHE D 118 -28.031 -5.299 -1.218 1.00 19.30 C +ATOM 4166 C PHE D 118 -28.313 -4.501 -0.028 1.00 20.52 C +ATOM 4167 O PHE D 118 -29.066 -5.081 0.915 1.00 18.09 O +ATOM 4168 CB PHE D 118 -27.213 -6.481 -0.908 1.00 18.97 C +ATOM 4169 CG PHE D 118 -27.223 -7.413 -2.204 1.00 18.93 C +ATOM 4170 CD1 PHE D 118 -26.304 -7.801 -3.109 1.00 24.34 C +ATOM 4171 CD2 PHE D 118 -28.509 -8.118 -2.367 1.00 26.48 C +ATOM 4172 CE1 PHE D 118 -26.170 -8.548 -4.227 1.00 20.81 C +ATOM 4173 CE2 PHE D 118 -28.524 -8.992 -3.636 1.00 22.90 C +ATOM 4174 CZ PHE D 118 -27.563 -8.928 -4.575 1.00 38.52 C +ATOM 4175 N GLY D 119 -27.754 -3.376 0.316 1.00 12.95 N +ATOM 4176 CA GLY D 119 -28.196 -2.563 1.458 1.00 17.60 C +ATOM 4177 C GLY D 119 -27.642 -3.404 2.740 1.00 22.58 C +ATOM 4178 O GLY D 119 -26.745 -4.123 2.946 1.00 17.60 O +ATOM 4179 N LYS D 120 -28.738 -3.418 3.697 1.00 21.46 N +ATOM 4180 CA LYS D 120 -28.403 -3.844 5.025 1.00 20.05 C +ATOM 4181 C LYS D 120 -28.472 -5.257 5.045 1.00 21.98 C +ATOM 4182 O LYS D 120 -27.730 -5.889 5.925 1.00 18.57 O +ATOM 4183 CB LYS D 120 -29.674 -3.273 5.899 1.00 27.28 C +ATOM 4184 CG LYS D 120 -30.525 -4.321 5.995 1.00 44.07 C +ATOM 4185 CD LYS D 120 -31.907 -4.631 6.867 1.00 48.21 C +ATOM 4186 CE LYS D 120 -33.041 -5.118 5.873 1.00 53.23 C +ATOM 4187 NZ LYS D 120 -34.578 -6.152 7.224 1.00 62.54 N +ATOM 4188 N GLU D 121 -28.504 -6.080 4.008 1.00 25.88 N +ATOM 4189 CA GLU D 121 -28.273 -7.343 3.934 1.00 20.02 C +ATOM 4190 C GLU D 121 -26.675 -7.822 3.749 1.00 18.96 C +ATOM 4191 O GLU D 121 -26.335 -8.975 4.074 1.00 16.05 O +ATOM 4192 CB GLU D 121 -29.032 -8.153 2.527 1.00 28.13 C +ATOM 4193 CG GLU D 121 -28.995 -9.238 2.561 1.00 40.20 C +ATOM 4194 CD GLU D 121 -30.346 -10.237 1.461 1.00 49.97 C +ATOM 4195 OE1 GLU D 121 -29.357 -11.293 1.004 1.00 36.73 O +ATOM 4196 OE2 GLU D 121 -30.336 -9.346 0.552 1.00 38.86 O +ATOM 4197 N PHE D 122 -26.073 -6.783 3.271 1.00 14.83 N +ATOM 4198 CA PHE D 122 -24.573 -7.060 3.133 1.00 20.37 C +ATOM 4199 C PHE D 122 -23.961 -6.641 4.530 1.00 15.94 C +ATOM 4200 O PHE D 122 -23.307 -5.592 4.698 1.00 17.73 O +ATOM 4201 CB PHE D 122 -24.256 -6.093 2.128 1.00 14.63 C +ATOM 4202 CG PHE D 122 -22.862 -6.484 1.494 1.00 12.39 C +ATOM 4203 CD1 PHE D 122 -22.569 -7.575 0.927 1.00 14.73 C +ATOM 4204 CD2 PHE D 122 -21.593 -5.712 1.717 1.00 15.96 C +ATOM 4205 CE1 PHE D 122 -21.227 -8.021 0.354 1.00 19.03 C +ATOM 4206 CE2 PHE D 122 -20.268 -6.011 1.383 1.00 16.31 C +ATOM 4207 CZ PHE D 122 -20.290 -7.145 0.714 1.00 19.86 C +ATOM 4208 N THR D 123 -24.154 -7.525 5.413 1.00 12.54 N +ATOM 4209 CA THR D 123 -23.654 -7.132 6.808 1.00 13.34 C +ATOM 4210 C THR D 123 -22.221 -7.283 6.854 1.00 15.73 C +ATOM 4211 O THR D 123 -21.546 -7.802 6.060 1.00 13.84 O +ATOM 4212 CB THR D 123 -24.160 -8.212 7.778 1.00 17.72 C +ATOM 4213 OG1 THR D 123 -23.892 -9.520 7.414 1.00 19.04 O +ATOM 4214 CG2 THR D 123 -25.951 -8.264 7.657 1.00 20.06 C +ATOM 4215 N PRO D 124 -21.722 -6.789 8.010 1.00 17.46 N +ATOM 4216 CA PRO D 124 -20.251 -6.940 8.311 1.00 14.41 C +ATOM 4217 C PRO D 124 -19.706 -8.259 8.132 1.00 12.05 C +ATOM 4218 O PRO D 124 -18.668 -8.405 7.486 1.00 13.28 O +ATOM 4219 CB PRO D 124 -20.088 -6.243 9.615 1.00 14.54 C +ATOM 4220 CG PRO D 124 -21.223 -5.227 9.715 1.00 15.93 C +ATOM 4221 CD PRO D 124 -22.358 -6.045 9.113 1.00 14.57 C +ATOM 4222 N PRO D 125 -20.257 -9.372 8.599 1.00 11.40 N +ATOM 4223 CA PRO D 125 -19.807 -10.596 8.366 1.00 17.87 C +ATOM 4224 C PRO D 125 -19.690 -11.236 6.993 1.00 15.21 C +ATOM 4225 O PRO D 125 -18.781 -11.857 6.488 1.00 14.41 O +ATOM 4226 CB PRO D 125 -20.651 -11.465 9.240 1.00 23.30 C +ATOM 4227 CG PRO D 125 -21.148 -10.683 10.183 1.00 26.37 C +ATOM 4228 CD PRO D 125 -21.413 -9.462 9.802 1.00 17.49 C +ATOM 4229 N VAL D 126 -20.833 -10.714 6.263 1.00 17.66 N +ATOM 4230 CA VAL D 126 -20.828 -11.114 4.812 1.00 21.55 C +ATOM 4231 C VAL D 126 -19.574 -10.424 3.938 1.00 16.49 C +ATOM 4232 O VAL D 126 -19.053 -10.988 3.156 1.00 13.46 O +ATOM 4233 CB VAL D 126 -22.452 -10.640 4.161 1.00 13.98 C +ATOM 4234 CG1 VAL D 126 -22.335 -11.055 2.842 1.00 20.70 C +ATOM 4235 CG2 VAL D 126 -23.218 -11.661 4.994 1.00 18.54 C +ATOM 4236 N GLN D 127 -19.567 -8.990 4.377 1.00 10.60 N +ATOM 4237 CA GLN D 127 -18.404 -8.336 3.872 1.00 12.83 C +ATOM 4238 C GLN D 127 -17.168 -9.034 3.964 1.00 13.74 C +ATOM 4239 O GLN D 127 -16.333 -9.154 3.044 1.00 12.71 O +ATOM 4240 CB GLN D 127 -18.494 -6.875 4.230 1.00 11.73 C +ATOM 4241 CG GLN D 127 -17.167 -6.142 3.667 1.00 13.68 C +ATOM 4242 CD GLN D 127 -16.957 -4.845 4.400 1.00 11.81 C +ATOM 4243 OE1 GLN D 127 -17.847 -4.243 5.015 1.00 13.99 O +ATOM 4244 NE2 GLN D 127 -15.920 -4.250 3.871 1.00 15.96 N +ATOM 4245 N ALA D 128 -16.860 -9.470 5.254 1.00 12.61 N +ATOM 4246 CA ALA D 128 -15.629 -10.118 5.636 1.00 9.64 C +ATOM 4247 C ALA D 128 -15.294 -11.332 4.779 1.00 7.66 C +ATOM 4248 O ALA D 128 -14.216 -11.498 4.302 1.00 11.68 O +ATOM 4249 CB ALA D 128 -15.618 -10.468 7.105 1.00 13.80 C +ATOM 4250 N ALA D 129 -16.442 -11.965 4.516 1.00 13.18 N +ATOM 4251 CA ALA D 129 -16.351 -13.231 3.750 1.00 11.17 C +ATOM 4252 C ALA D 129 -15.929 -12.840 2.277 1.00 11.52 C +ATOM 4253 O ALA D 129 -15.098 -13.537 1.657 1.00 13.56 O +ATOM 4254 CB ALA D 129 -17.591 -14.039 3.811 1.00 14.35 C +ATOM 4255 N TYR D 130 -16.661 -11.959 1.697 1.00 13.36 N +ATOM 4256 CA TYR D 130 -16.475 -11.445 0.343 1.00 13.72 C +ATOM 4257 C TYR D 130 -15.053 -10.791 0.256 1.00 15.10 C +ATOM 4258 O TYR D 130 -14.355 -11.020 -0.750 1.00 13.21 O +ATOM 4259 CB TYR D 130 -17.422 -10.440 -0.057 1.00 13.30 C +ATOM 4260 CG TYR D 130 -18.539 -11.158 -0.682 1.00 15.19 C +ATOM 4261 CD1 TYR D 130 -18.456 -11.539 -1.989 1.00 16.58 C +ATOM 4262 CD2 TYR D 130 -19.661 -11.646 -0.093 1.00 11.73 C +ATOM 4263 CE1 TYR D 130 -19.348 -12.381 -2.950 1.00 20.28 C +ATOM 4264 CE2 TYR D 130 -20.692 -12.412 -0.867 1.00 14.90 C +ATOM 4265 CZ TYR D 130 -20.584 -12.824 -2.071 1.00 22.05 C +ATOM 4266 OH TYR D 130 -21.522 -13.470 -2.725 1.00 20.92 O +ATOM 4267 N GLN D 131 -14.583 -10.235 1.300 1.00 12.24 N +ATOM 4268 CA GLN D 131 -13.174 -9.715 1.275 1.00 13.72 C +ATOM 4269 C GLN D 131 -12.128 -10.656 1.064 1.00 20.69 C +ATOM 4270 O GLN D 131 -11.251 -10.668 0.401 1.00 17.83 O +ATOM 4271 CB GLN D 131 -12.830 -8.708 2.421 1.00 13.45 C +ATOM 4272 CG GLN D 131 -13.616 -7.579 2.534 1.00 20.19 C +ATOM 4273 CD GLN D 131 -13.161 -6.166 1.573 1.00 18.43 C +ATOM 4274 OE1 GLN D 131 -14.035 -5.385 1.692 1.00 14.48 O +ATOM 4275 NE2 GLN D 131 -12.233 -6.377 0.841 1.00 16.06 N +ATOM 4276 N LYS D 132 -12.389 -11.876 1.744 1.00 12.67 N +ATOM 4277 CA LYS D 132 -11.377 -12.991 1.725 1.00 15.63 C +ATOM 4278 C LYS D 132 -11.407 -13.587 0.293 1.00 18.80 C +ATOM 4279 O LYS D 132 -10.481 -13.843 -0.328 1.00 14.05 O +ATOM 4280 CB LYS D 132 -11.780 -14.083 2.621 1.00 24.81 C +ATOM 4281 CG LYS D 132 -11.356 -13.759 4.081 1.00 25.97 C +ATOM 4282 CD LYS D 132 -11.952 -14.985 5.007 1.00 26.81 C +ATOM 4283 CE LYS D 132 -12.396 -14.023 6.345 1.00 50.23 C +ATOM 4284 NZ LYS D 132 -12.099 -16.364 7.125 1.00 63.38 N +ATOM 4285 N VAL D 133 -12.646 -13.574 -0.320 1.00 13.42 N +ATOM 4286 CA VAL D 133 -12.819 -14.186 -1.656 1.00 18.27 C +ATOM 4287 C VAL D 133 -12.113 -13.235 -2.641 1.00 19.39 C +ATOM 4288 O VAL D 133 -11.376 -13.757 -3.529 1.00 15.06 O +ATOM 4289 CB VAL D 133 -14.347 -14.459 -2.009 1.00 17.40 C +ATOM 4290 CG1 VAL D 133 -14.482 -14.527 -3.527 1.00 22.79 C +ATOM 4291 CG2 VAL D 133 -14.897 -15.429 -1.020 1.00 19.90 C +ATOM 4292 N VAL D 134 -12.419 -12.044 -2.631 1.00 14.66 N +ATOM 4293 CA VAL D 134 -11.817 -11.184 -3.697 1.00 17.41 C +ATOM 4294 C VAL D 134 -10.205 -10.998 -3.622 1.00 17.93 C +ATOM 4295 O VAL D 134 -9.555 -11.088 -4.632 1.00 17.13 O +ATOM 4296 CB VAL D 134 -12.523 -9.795 -3.826 1.00 16.69 C +ATOM 4297 CG1 VAL D 134 -13.942 -9.809 -3.996 1.00 22.42 C +ATOM 4298 CG2 VAL D 134 -12.135 -9.012 -2.596 1.00 16.30 C +ATOM 4299 N ALA D 135 -9.754 -11.116 -2.425 1.00 16.25 N +ATOM 4300 CA ALA D 135 -8.338 -11.031 -2.088 1.00 14.79 C +ATOM 4301 C ALA D 135 -7.743 -12.494 -2.790 1.00 21.70 C +ATOM 4302 O ALA D 135 -6.667 -12.571 -3.342 1.00 16.89 O +ATOM 4303 CB ALA D 135 -7.946 -11.087 -0.719 1.00 18.34 C +ATOM 4304 N GLY D 136 -8.430 -13.631 -2.593 1.00 17.40 N +ATOM 4305 CA GLY D 136 -8.238 -14.854 -2.994 1.00 16.77 C +ATOM 4306 C GLY D 136 -8.046 -14.863 -4.547 1.00 21.35 C +ATOM 4307 O GLY D 136 -7.103 -15.386 -5.248 1.00 16.80 O +ATOM 4308 N VAL D 137 -9.061 -14.287 -5.106 1.00 23.70 N +ATOM 4309 CA VAL D 137 -9.117 -14.207 -6.516 1.00 26.49 C +ATOM 4310 C VAL D 137 -8.271 -13.386 -7.311 1.00 33.07 C +ATOM 4311 O VAL D 137 -7.434 -13.729 -8.023 1.00 30.90 O +ATOM 4312 CB VAL D 137 -10.635 -13.731 -7.203 1.00 15.94 C +ATOM 4313 CG1 VAL D 137 -10.606 -13.355 -8.722 1.00 21.57 C +ATOM 4314 CG2 VAL D 137 -11.540 -14.757 -6.690 1.00 21.46 C +ATOM 4315 N ALA D 138 -7.804 -12.254 -6.635 1.00 14.66 N +ATOM 4316 CA ALA D 138 -6.688 -11.339 -7.074 1.00 18.95 C +ATOM 4317 C ALA D 138 -5.417 -12.079 -7.070 1.00 18.17 C +ATOM 4318 O ALA D 138 -4.593 -11.997 -7.851 1.00 14.81 O +ATOM 4319 CB ALA D 138 -6.540 -10.040 -6.183 1.00 19.78 C +ATOM 4320 N ASN D 139 -5.187 -12.811 -5.928 1.00 15.30 N +ATOM 4321 CA ASN D 139 -3.937 -13.374 -5.586 1.00 18.41 C +ATOM 4322 C ASN D 139 -3.703 -14.483 -6.697 1.00 25.63 C +ATOM 4323 O ASN D 139 -2.635 -14.913 -7.329 1.00 23.38 O +ATOM 4324 CB ASN D 139 -3.989 -14.050 -4.592 1.00 50.89 C +ATOM 4325 CG ASN D 139 -3.194 -13.790 -3.503 1.00 63.06 C +ATOM 4326 OD1 ASN D 139 -2.135 -15.017 -3.938 1.00 52.41 O +ATOM 4327 ND2 ASN D 139 -3.072 -12.228 -3.482 1.00 29.84 N +ATOM 4328 N ALA D 140 -4.873 -15.260 -6.949 1.00 19.40 N +ATOM 4329 CA ALA D 140 -5.005 -16.402 -7.986 1.00 23.09 C +ATOM 4330 C ALA D 140 -4.740 -15.710 -9.403 1.00 18.16 C +ATOM 4331 O ALA D 140 -3.930 -16.420 -10.089 1.00 16.51 O +ATOM 4332 CB ALA D 140 -6.303 -16.997 -8.071 1.00 18.14 C +ATOM 4333 N LEU D 141 -5.172 -14.659 -9.775 1.00 14.97 N +ATOM 4334 CA LEU D 141 -4.899 -14.068 -11.011 1.00 14.94 C +ATOM 4335 C LEU D 141 -3.434 -13.602 -11.198 1.00 11.73 C +ATOM 4336 O LEU D 141 -2.840 -13.285 -12.242 1.00 15.21 O +ATOM 4337 CB LEU D 141 -6.006 -12.939 -11.311 1.00 15.16 C +ATOM 4338 CG LEU D 141 -7.325 -13.394 -11.757 1.00 17.87 C +ATOM 4339 CD1 LEU D 141 -7.836 -12.121 -12.278 1.00 24.86 C +ATOM 4340 CD2 LEU D 141 -6.860 -13.940 -13.382 1.00 16.07 C +ATOM 4341 N ALA D 142 -2.826 -13.097 -10.036 1.00 14.26 N +ATOM 4342 CA ALA D 142 -1.439 -12.718 -10.054 1.00 17.21 C +ATOM 4343 C ALA D 142 -0.379 -13.783 -9.991 1.00 18.46 C +ATOM 4344 O ALA D 142 0.751 -13.412 -10.228 1.00 18.92 O +ATOM 4345 CB ALA D 142 -1.279 -11.774 -8.892 1.00 19.11 C +ATOM 4346 N HIS D 143 -0.748 -15.020 -9.767 1.00 19.75 N +ATOM 4347 CA HIS D 143 0.079 -16.200 -9.518 1.00 26.63 C +ATOM 4348 C HIS D 143 1.176 -16.436 -10.670 1.00 23.72 C +ATOM 4349 O HIS D 143 2.224 -16.803 -10.136 1.00 24.41 O +ATOM 4350 CB HIS D 143 -0.669 -17.339 -8.942 1.00 25.89 C +ATOM 4351 CG HIS D 143 0.097 -18.406 -8.683 1.00 56.45 C +ATOM 4352 ND1 HIS D 143 0.122 -19.475 -9.292 1.00 44.25 N +ATOM 4353 CD2 HIS D 143 1.035 -18.261 -7.098 1.00 48.81 C +ATOM 4354 CE1 HIS D 143 1.293 -20.089 -8.356 1.00 56.93 C +ATOM 4355 NE2 HIS D 143 1.407 -19.517 -7.123 1.00 49.27 N +ATOM 4356 N LYS D 144 0.773 -16.313 -11.824 1.00 19.26 N +ATOM 4357 CA LYS D 144 1.442 -16.574 -13.172 1.00 33.94 C +ATOM 4358 C LYS D 144 2.421 -15.633 -13.479 1.00 32.28 C +ATOM 4359 O LYS D 144 2.996 -15.637 -14.654 1.00 23.60 O +ATOM 4360 CB LYS D 144 1.055 -17.526 -13.968 1.00 31.20 C +ATOM 4361 CG LYS D 144 0.220 -18.870 -13.388 1.00 40.85 C +ATOM 4362 CD LYS D 144 1.002 -19.972 -13.512 1.00 59.03 C +ATOM 4363 CE LYS D 144 0.888 -21.048 -13.306 1.00 56.19 C +ATOM 4364 NZ LYS D 144 1.510 -22.846 -14.338 1.00 70.96 N +ATOM 4365 N TYR D 145 2.435 -14.424 -12.946 1.00 24.92 N +ATOM 4366 CA TYR D 145 3.207 -13.372 -13.244 1.00 29.13 C +ATOM 4367 C TYR D 145 4.717 -13.524 -13.102 1.00 38.17 C +ATOM 4368 O TYR D 145 5.061 -14.114 -12.139 1.00 27.99 O +ATOM 4369 CB TYR D 145 2.744 -12.016 -12.590 1.00 17.99 C +ATOM 4370 CG TYR D 145 1.621 -11.268 -13.262 1.00 17.42 C +ATOM 4371 CD1 TYR D 145 1.523 -10.110 -13.925 1.00 16.93 C +ATOM 4372 CD2 TYR D 145 0.375 -12.020 -13.134 1.00 18.60 C +ATOM 4373 CE1 TYR D 145 0.498 -9.521 -14.492 1.00 17.99 C +ATOM 4374 CE2 TYR D 145 -0.813 -11.356 -13.802 1.00 14.96 C +ATOM 4375 CZ TYR D 145 -0.763 -10.275 -14.381 1.00 12.85 C +ATOM 4376 OH TYR D 145 -1.813 -9.580 -14.987 1.00 13.31 O +ATOM 4377 N HIS D 146 5.428 -13.165 -14.072 1.00 26.11 N +ATOM 4378 CA HIS D 146 7.054 -13.167 -14.050 1.00 31.89 C +ATOM 4379 C HIS D 146 7.429 -12.153 -15.048 1.00 21.33 C +ATOM 4380 O HIS D 146 6.931 -11.249 -15.530 1.00 27.92 O +ATOM 4381 CB HIS D 146 7.223 -14.769 -14.665 1.00 30.13 C +ATOM 4382 CG HIS D 146 6.497 -14.789 -15.882 1.00 40.51 C +ATOM 4383 ND1 HIS D 146 7.552 -14.702 -17.398 1.00 47.51 N +ATOM 4384 CD2 HIS D 146 5.784 -14.325 -16.776 1.00 45.49 C +ATOM 4385 CE1 HIS D 146 7.188 -14.800 -17.949 1.00 56.67 C +ATOM 4386 NE2 HIS D 146 5.714 -14.339 -18.353 1.00 37.33 N +ATOM 4387 OXT HIS D 146 8.812 -12.134 -14.847 1.00 21.61 O +TER 4388 HIS D 146 +HETATM 4389 CHA HEM A 142 8.585 7.902 -18.282 1.00 16.31 C +HETATM 4390 CHB HEM A 142 10.355 9.805 -14.208 1.00 26.27 C +HETATM 4391 CHC HEM A 142 8.341 6.363 -11.589 1.00 13.23 C +HETATM 4392 CHD HEM A 142 6.988 4.088 -15.744 1.00 14.77 C +HETATM 4393 C1A HEM A 142 9.141 8.725 -17.504 1.00 17.40 C +HETATM 4394 C2A HEM A 142 10.098 9.952 -17.887 1.00 18.53 C +HETATM 4395 C3A HEM A 142 10.636 10.499 -16.796 1.00 18.36 C +HETATM 4396 C4A HEM A 142 10.137 9.679 -15.611 1.00 16.88 C +HETATM 4397 CMA HEM A 142 11.613 11.590 -16.732 1.00 21.20 C +HETATM 4398 CAA HEM A 142 10.403 10.367 -19.312 1.00 25.54 C +HETATM 4399 CBA HEM A 142 9.552 11.270 -19.659 1.00 31.38 C +HETATM 4400 CGA HEM A 142 10.793 12.286 -21.342 1.00 44.82 C +HETATM 4401 O1A HEM A 142 9.887 11.345 -21.943 1.00 39.10 O +HETATM 4402 O2A HEM A 142 9.308 12.698 -21.487 1.00 54.71 O +HETATM 4403 C1B HEM A 142 9.938 9.271 -13.145 1.00 23.63 C +HETATM 4404 C2B HEM A 142 10.318 9.380 -11.838 1.00 11.67 C +HETATM 4405 C3B HEM A 142 9.660 8.341 -11.052 1.00 17.41 C +HETATM 4406 C4B HEM A 142 9.028 7.467 -11.975 1.00 14.84 C +HETATM 4407 CMB HEM A 142 11.048 10.634 -11.389 1.00 12.32 C +HETATM 4408 CAB HEM A 142 9.567 8.336 -9.634 1.00 24.30 C +HETATM 4409 CBB HEM A 142 10.576 8.441 -8.785 1.00 28.40 C +HETATM 4410 C1C HEM A 142 7.680 5.498 -12.499 1.00 13.39 C +HETATM 4411 C2C HEM A 142 7.270 4.198 -12.170 1.00 11.20 C +HETATM 4412 C3C HEM A 142 6.975 3.441 -13.304 1.00 8.94 C +HETATM 4413 C4C HEM A 142 7.207 4.445 -14.517 1.00 10.29 C +HETATM 4414 CMC HEM A 142 7.098 3.618 -10.845 1.00 13.77 C +HETATM 4415 CAC HEM A 142 6.342 2.184 -13.525 1.00 13.45 C +HETATM 4416 CBC HEM A 142 6.722 1.153 -12.766 1.00 11.27 C +HETATM 4417 C1D HEM A 142 7.302 4.989 -16.733 1.00 11.32 C +HETATM 4418 C2D HEM A 142 7.141 4.644 -18.240 1.00 16.69 C +HETATM 4419 C3D HEM A 142 7.540 5.718 -18.887 1.00 20.49 C +HETATM 4420 C4D HEM A 142 8.172 6.582 -18.158 1.00 16.46 C +HETATM 4421 CMD HEM A 142 6.354 3.385 -18.817 1.00 19.45 C +HETATM 4422 CAD HEM A 142 7.621 5.740 -20.408 1.00 21.31 C +HETATM 4423 CBD HEM A 142 8.764 5.354 -20.767 1.00 38.22 C +HETATM 4424 CGD HEM A 142 9.138 5.049 -22.798 1.00 41.21 C +HETATM 4425 O1D HEM A 142 9.998 5.836 -22.703 1.00 42.81 O +HETATM 4426 O2D HEM A 142 8.349 4.920 -23.144 1.00 40.12 O +HETATM 4427 NA HEM A 142 9.397 8.686 -16.211 1.00 16.46 N +HETATM 4428 NB HEM A 142 9.343 8.012 -13.298 1.00 12.29 N +HETATM 4429 NC HEM A 142 7.604 5.533 -13.949 1.00 15.07 N +HETATM 4430 ND HEM A 142 7.715 6.202 -16.788 1.00 13.07 N +HETATM 4431 FE HEM A 142 8.116 7.403 -15.045 1.00 18.07 FE +HETATM 4432 P PO4 B 147 5.931 -21.573 3.319 1.00 32.97 P +HETATM 4433 CHA HEM B 148 9.659 -10.155 20.773 1.00 21.59 C +HETATM 4434 CHB HEM B 148 11.121 -12.190 16.575 1.00 16.50 C +HETATM 4435 CHC HEM B 148 9.762 -8.175 14.122 1.00 16.82 C +HETATM 4436 CHD HEM B 148 8.223 -6.187 18.294 1.00 16.19 C +HETATM 4437 C1A HEM B 148 10.199 -10.977 19.856 1.00 24.57 C +HETATM 4438 C2A HEM B 148 10.940 -12.186 20.114 1.00 17.10 C +HETATM 4439 C3A HEM B 148 11.529 -12.852 19.028 1.00 13.46 C +HETATM 4440 C4A HEM B 148 10.911 -11.942 17.916 1.00 18.78 C +HETATM 4441 CMA HEM B 148 12.211 -14.084 18.855 1.00 20.21 C +HETATM 4442 CAA HEM B 148 11.171 -12.750 21.554 1.00 21.16 C +HETATM 4443 CBA HEM B 148 10.089 -13.674 21.941 1.00 27.78 C +HETATM 4444 CGA HEM B 148 9.936 -14.643 23.585 1.00 59.12 C +HETATM 4445 O1A HEM B 148 10.040 -13.299 24.151 1.00 44.32 O +HETATM 4446 O2A HEM B 148 9.582 -15.171 23.405 1.00 46.16 O +HETATM 4447 C1B HEM B 148 10.820 -11.284 15.524 1.00 10.36 C +HETATM 4448 C2B HEM B 148 11.247 -11.528 14.048 1.00 7.33 C +HETATM 4449 C3B HEM B 148 10.827 -10.448 13.495 1.00 15.63 C +HETATM 4450 C4B HEM B 148 10.176 -9.458 14.534 1.00 15.33 C +HETATM 4451 CMB HEM B 148 11.793 -12.748 13.802 1.00 14.96 C +HETATM 4452 CAB HEM B 148 10.965 -10.083 11.934 1.00 19.63 C +HETATM 4453 CBB HEM B 148 12.063 -10.466 11.288 1.00 39.39 C +HETATM 4454 C1C HEM B 148 9.223 -7.280 15.193 1.00 14.39 C +HETATM 4455 C2C HEM B 148 8.943 -5.947 14.698 1.00 10.78 C +HETATM 4456 C3C HEM B 148 8.461 -5.188 15.934 1.00 10.68 C +HETATM 4457 C4C HEM B 148 8.575 -6.422 16.809 1.00 8.70 C +HETATM 4458 CMC HEM B 148 9.067 -5.306 13.381 1.00 13.95 C +HETATM 4459 CAC HEM B 148 7.915 -3.899 16.132 1.00 11.87 C +HETATM 4460 CBC HEM B 148 8.359 -2.863 15.599 1.00 12.63 C +HETATM 4461 C1D HEM B 148 8.576 -7.046 19.346 1.00 18.32 C +HETATM 4462 C2D HEM B 148 8.195 -6.791 20.753 1.00 15.48 C +HETATM 4463 C3D HEM B 148 8.512 -8.051 21.256 1.00 14.57 C +HETATM 4464 C4D HEM B 148 9.290 -8.905 20.340 1.00 20.76 C +HETATM 4465 CMD HEM B 148 7.722 -5.449 21.269 1.00 27.50 C +HETATM 4466 CAD HEM B 148 8.696 -7.989 22.865 1.00 13.85 C +HETATM 4467 CBD HEM B 148 10.051 -7.739 23.453 1.00 17.11 C +HETATM 4468 CGD HEM B 148 10.333 -8.222 25.219 1.00 27.09 C +HETATM 4469 O1D HEM B 148 11.372 -7.572 25.386 1.00 27.49 O +HETATM 4470 O2D HEM B 148 9.169 -8.132 25.625 1.00 23.65 O +HETATM 4471 NA HEM B 148 10.260 -10.823 18.453 1.00 15.64 N +HETATM 4472 NB HEM B 148 10.199 -10.051 15.722 1.00 12.71 N +HETATM 4473 NC HEM B 148 9.104 -7.643 16.544 1.00 11.22 N +HETATM 4474 ND HEM B 148 9.090 -8.239 19.067 1.00 16.72 N +HETATM 4475 FE HEM B 148 9.333 -9.335 17.389 1.00 15.00 FE +HETATM 4476 CHA HEM C 142 -8.630 7.776 18.352 1.00 18.96 C +HETATM 4477 CHB HEM C 142 -10.320 10.048 14.384 1.00 20.49 C +HETATM 4478 CHC HEM C 142 -8.304 6.446 11.794 1.00 15.25 C +HETATM 4479 CHD HEM C 142 -6.900 4.052 15.698 1.00 14.70 C +HETATM 4480 C1A HEM C 142 -9.195 8.664 17.417 1.00 16.72 C +HETATM 4481 C2A HEM C 142 -10.045 9.791 17.916 1.00 15.73 C +HETATM 4482 C3A HEM C 142 -10.613 10.462 16.942 1.00 17.27 C +HETATM 4483 C4A HEM C 142 -10.077 9.749 15.710 1.00 12.07 C +HETATM 4484 CMA HEM C 142 -11.422 11.658 16.756 1.00 31.88 C +HETATM 4485 CAA HEM C 142 -10.321 10.351 19.308 1.00 24.60 C +HETATM 4486 CBA HEM C 142 -9.201 11.341 19.696 1.00 36.28 C +HETATM 4487 CGA HEM C 142 -10.014 12.024 21.724 1.00 43.70 C +HETATM 4488 O1A HEM C 142 -9.511 10.786 22.089 1.00 38.93 O +HETATM 4489 O2A HEM C 142 -9.503 12.583 21.415 1.00 46.28 O +HETATM 4490 C1B HEM C 142 -9.882 9.419 13.260 1.00 18.45 C +HETATM 4491 C2B HEM C 142 -10.342 9.474 11.782 1.00 12.95 C +HETATM 4492 C3B HEM C 142 -9.631 8.558 11.160 1.00 12.49 C +HETATM 4493 C4B HEM C 142 -8.945 7.665 12.157 1.00 8.33 C +HETATM 4494 CMB HEM C 142 -11.015 10.631 11.441 1.00 15.16 C +HETATM 4495 CAB HEM C 142 -9.701 8.335 9.552 1.00 21.83 C +HETATM 4496 CBB HEM C 142 -10.742 8.875 9.052 1.00 33.11 C +HETATM 4497 C1C HEM C 142 -7.751 5.629 12.596 1.00 15.97 C +HETATM 4498 C2C HEM C 142 -7.320 4.232 12.130 1.00 9.41 C +HETATM 4499 C3C HEM C 142 -6.879 3.543 13.304 1.00 11.73 C +HETATM 4500 C4C HEM C 142 -7.009 4.441 14.484 1.00 15.36 C +HETATM 4501 CMC HEM C 142 -7.210 3.774 10.722 1.00 13.23 C +HETATM 4502 CAC HEM C 142 -6.459 2.233 13.437 1.00 19.55 C +HETATM 4503 CBC HEM C 142 -6.761 1.082 12.572 1.00 14.52 C +HETATM 4504 C1D HEM C 142 -7.305 4.996 16.751 1.00 11.54 C +HETATM 4505 C2D HEM C 142 -6.959 4.620 18.250 1.00 12.94 C +HETATM 4506 C3D HEM C 142 -7.527 5.654 18.907 1.00 11.38 C +HETATM 4507 C4D HEM C 142 -7.947 6.663 18.081 1.00 11.29 C +HETATM 4508 CMD HEM C 142 -6.299 3.375 18.648 1.00 13.29 C +HETATM 4509 CAD HEM C 142 -7.594 5.618 20.504 1.00 15.84 C +HETATM 4510 CBD HEM C 142 -8.833 5.076 20.877 1.00 21.27 C +HETATM 4511 CGD HEM C 142 -9.085 5.314 22.774 1.00 26.94 C +HETATM 4512 O1D HEM C 142 -10.036 5.486 22.824 1.00 30.21 O +HETATM 4513 O2D HEM C 142 -8.326 4.541 23.113 1.00 25.95 O +HETATM 4514 NA HEM C 142 -9.276 8.702 16.089 1.00 16.55 N +HETATM 4515 NB HEM C 142 -9.138 8.185 13.333 1.00 12.79 N +HETATM 4516 NC HEM C 142 -7.518 5.627 13.990 1.00 12.28 N +HETATM 4517 ND HEM C 142 -7.740 6.303 16.793 1.00 12.30 N +HETATM 4518 FE HEM C 142 -8.129 7.348 15.002 1.00 16.89 FE +HETATM 4519 P PO4 D 147 -6.147 -21.111 -3.332 1.00 31.17 P +HETATM 4520 CHA HEM D 148 -9.813 -9.884 -20.599 1.00 19.84 C +HETATM 4521 CHB HEM D 148 -11.252 -11.989 -16.610 1.00 16.61 C +HETATM 4522 CHC HEM D 148 -9.951 -8.302 -14.119 1.00 13.93 C +HETATM 4523 CHD HEM D 148 -8.200 -5.985 -18.127 1.00 15.88 C +HETATM 4524 C1A HEM D 148 -10.428 -10.865 -19.783 1.00 28.09 C +HETATM 4525 C2A HEM D 148 -11.318 -12.071 -20.258 1.00 22.30 C +HETATM 4526 C3A HEM D 148 -11.693 -12.664 -19.188 1.00 22.59 C +HETATM 4527 C4A HEM D 148 -11.051 -11.756 -18.004 1.00 25.38 C +HETATM 4528 CMA HEM D 148 -12.566 -13.772 -18.973 1.00 20.23 C +HETATM 4529 CAA HEM D 148 -11.486 -12.464 -21.884 1.00 19.24 C +HETATM 4530 CBA HEM D 148 -10.405 -12.971 -22.194 1.00 50.08 C +HETATM 4531 CGA HEM D 148 -9.805 -13.296 -24.484 1.00 47.00 C +HETATM 4532 O1A HEM D 148 -11.117 -13.581 -24.158 1.00 49.99 O +HETATM 4533 O2A HEM D 148 -9.172 -14.946 -24.346 1.00 55.24 O +HETATM 4534 C1B HEM D 148 -10.937 -11.332 -15.462 1.00 14.32 C +HETATM 4535 C2B HEM D 148 -11.232 -11.509 -14.176 1.00 15.75 C +HETATM 4536 C3B HEM D 148 -10.801 -10.525 -13.479 1.00 14.95 C +HETATM 4537 C4B HEM D 148 -10.217 -9.585 -14.421 1.00 12.78 C +HETATM 4538 CMB HEM D 148 -11.799 -12.726 -13.757 1.00 18.74 C +HETATM 4539 CAB HEM D 148 -10.869 -10.291 -11.895 1.00 16.19 C +HETATM 4540 CBB HEM D 148 -11.756 -10.396 -11.494 1.00 34.22 C +HETATM 4541 C1C HEM D 148 -9.469 -7.417 -14.891 1.00 14.15 C +HETATM 4542 C2C HEM D 148 -8.915 -5.898 -14.609 1.00 16.84 C +HETATM 4543 C3C HEM D 148 -8.353 -5.322 -15.741 1.00 13.21 C +HETATM 4544 C4C HEM D 148 -8.605 -6.360 -16.751 1.00 15.07 C +HETATM 4545 CMC HEM D 148 -9.128 -5.229 -13.166 1.00 18.77 C +HETATM 4546 CAC HEM D 148 -7.843 -4.077 -15.916 1.00 13.84 C +HETATM 4547 CBC HEM D 148 -8.331 -3.032 -15.408 1.00 20.77 C +HETATM 4548 C1D HEM D 148 -8.465 -7.065 -19.281 1.00 18.28 C +HETATM 4549 C2D HEM D 148 -8.394 -6.595 -20.574 1.00 20.40 C +HETATM 4550 C3D HEM D 148 -8.861 -7.841 -21.341 1.00 19.16 C +HETATM 4551 C4D HEM D 148 -9.573 -8.702 -20.531 1.00 19.80 C +HETATM 4552 CMD HEM D 148 -7.686 -5.397 -21.106 1.00 25.65 C +HETATM 4553 CAD HEM D 148 -8.956 -7.733 -22.890 1.00 23.94 C +HETATM 4554 CBD HEM D 148 -10.040 -6.949 -23.304 1.00 45.78 C +HETATM 4555 CGD HEM D 148 -10.579 -7.365 -25.200 1.00 48.49 C +HETATM 4556 O1D HEM D 148 -9.907 -5.916 -25.395 1.00 40.71 O +HETATM 4557 O2D HEM D 148 -9.982 -7.978 -25.490 1.00 45.79 O +HETATM 4558 NA HEM D 148 -10.454 -10.804 -18.459 1.00 15.98 N +HETATM 4559 NB HEM D 148 -10.364 -9.999 -15.688 1.00 14.27 N +HETATM 4560 NC HEM D 148 -9.228 -7.489 -16.235 1.00 12.21 N +HETATM 4561 ND HEM D 148 -9.282 -8.209 -19.162 1.00 12.94 N +HETATM 4562 FE HEM D 148 -9.504 -9.265 -17.387 1.00 15.46 FE +HETATM 4563 O HOH A 143 27.864 0.667 0.584 1.00 21.15 O +HETATM 4564 O HOH A 144 10.459 5.072 -14.201 1.00 29.96 O +HETATM 4565 O HOH A 145 17.782 -1.325 -26.109 1.00 23.65 O +HETATM 4566 O HOH A 146 13.825 2.114 3.861 1.00 23.17 O +HETATM 4567 O HOH A 147 16.741 12.813 9.083 1.00 26.86 O +HETATM 4568 O HOH A 148 22.374 9.235 11.515 1.00 30.53 O +HETATM 4569 O HOH A 149 25.903 -1.921 -7.245 1.00 27.68 O +HETATM 4570 O HOH A 150 11.472 3.167 0.508 1.00 27.27 O +HETATM 4571 O HOH A 151 30.661 6.822 -0.101 1.00 29.31 O +HETATM 4572 O HOH A 152 -3.585 1.717 -5.969 1.00 29.54 O +HETATM 4573 O HOH A 153 32.341 10.298 6.014 1.00 35.74 O +HETATM 4574 O HOH A 154 34.406 10.442 4.080 1.00 31.58 O +HETATM 4575 O HOH A 155 30.017 0.297 -1.177 1.00 37.73 O +HETATM 4576 O HOH A 156 21.428 14.396 -13.024 1.00 37.58 O +HETATM 4577 O HOH A 157 10.103 6.463 -0.224 1.00 29.83 O +HETATM 4578 O HOH A 158 28.011 -0.672 -5.493 1.00 34.75 O +HETATM 4579 O HOH A 159 12.221 6.676 -21.742 1.00 35.95 O +HETATM 4580 O HOH A 160 0.070 13.369 -11.506 1.00 27.36 O +HETATM 4581 O HOH A 161 6.073 -7.542 -8.224 1.00 27.80 O +HETATM 4582 O HOH A 162 0.959 -1.910 -19.919 1.00 29.65 O +HETATM 4583 O HOH A 163 -5.435 9.067 -14.288 1.00 30.27 O +HETATM 4584 O HOH A 164 3.108 18.897 -10.351 1.00 37.13 O +HETATM 4585 O HOH A 165 9.253 2.690 -0.595 1.00 31.92 O +HETATM 4586 O HOH A 166 3.509 1.516 -20.390 1.00 30.86 O +HETATM 4587 O HOH A 167 7.323 6.472 -2.528 1.00 34.91 O +HETATM 4588 O HOH A 168 8.069 21.100 -2.836 1.00 34.13 O +HETATM 4589 O HOH A 169 22.069 5.076 -17.599 1.00 36.10 O +HETATM 4590 O HOH A 170 12.511 23.031 -13.238 1.00 37.77 O +HETATM 4591 O HOH A 171 27.846 5.439 7.283 1.00 39.01 O +HETATM 4592 O HOH A 172 16.593 -6.697 -7.432 1.00 35.74 O +HETATM 4593 O HOH A 173 19.969 -3.554 -17.319 1.00 36.03 O +HETATM 4594 O HOH A 174 14.440 13.918 -17.292 1.00 34.06 O +HETATM 4595 O HOH A 175 30.151 3.417 -5.741 1.00 35.04 O +HETATM 4596 O HOH A 176 8.360 5.321 2.557 1.00 38.02 O +HETATM 4597 O HOH A 177 -6.479 11.748 -17.967 1.00 39.72 O +HETATM 4598 O HOH A 178 8.608 18.432 -15.341 1.00 36.40 O +HETATM 4599 O HOH A 179 13.827 13.620 8.994 1.00 37.52 O +HETATM 4600 O HOH A 180 16.070 12.039 11.262 1.00 38.53 O +HETATM 4601 O HOH A 181 2.747 5.937 -4.128 1.00 42.85 O +HETATM 4602 O HOH A 182 7.523 20.881 -15.648 1.00 39.27 O +HETATM 4603 O HOH A 183 11.712 -10.960 -5.769 1.00 38.61 O +HETATM 4604 O HOH A 184 30.119 4.139 -8.587 1.00 34.80 O +HETATM 4605 O HOH A 185 25.533 1.205 -11.184 1.00 42.30 O +HETATM 4606 O HOH A 186 -4.812 12.384 -7.265 1.00 38.29 O +HETATM 4607 O HOH A 187 23.809 19.925 1.758 1.00 39.37 O +HETATM 4608 O HOH A 188 26.015 11.766 5.159 1.00 40.95 O +HETATM 4609 O HOH A 189 14.639 24.823 -4.300 1.00 41.35 O +HETATM 4610 O HOH A 190 14.903 5.393 -23.047 1.00 37.45 O +HETATM 4611 O HOH A 191 16.650 -5.137 -16.717 1.00 39.12 O +HETATM 4612 O HOH A 192 7.424 -6.700 -20.085 1.00 38.62 O +HETATM 4613 O HOH A 193 23.120 -3.118 -12.992 1.00 37.05 O +HETATM 4614 O HOH A 194 23.664 0.968 -14.389 1.00 36.25 O +HETATM 4615 O HOH A 195 25.698 7.981 -15.362 1.00 35.85 O +HETATM 4616 O HOH A 196 30.009 16.347 -6.794 1.00 37.62 O +HETATM 4617 O HOH A 197 27.728 16.677 -1.376 1.00 42.54 O +HETATM 4618 O HOH A 198 8.142 18.836 1.041 1.00 39.90 O +HETATM 4619 O HOH B 149 0.093 -2.470 16.222 1.00 21.64 O +HETATM 4620 O HOH B 150 -5.404 -9.289 14.863 1.00 29.94 O +HETATM 4621 O HOH B 151 17.543 -13.863 -8.044 1.00 26.33 O +HETATM 4622 O HOH B 152 10.126 -8.396 -0.639 1.00 27.87 O +HETATM 4623 O HOH B 153 25.765 -4.888 -7.482 1.00 33.60 O +HETATM 4624 O HOH B 154 31.028 -6.924 -0.005 1.00 27.86 O +HETATM 4625 O HOH B 155 10.572 -9.505 7.329 1.00 34.89 O +HETATM 4626 O HOH B 156 2.908 -19.221 10.523 1.00 29.82 O +HETATM 4627 O HOH B 157 27.245 -11.383 -5.263 1.00 34.30 O +HETATM 4628 O HOH B 158 5.726 -17.664 4.076 1.00 29.36 O +HETATM 4629 O HOH B 159 30.677 -1.382 -3.264 1.00 34.23 O +HETATM 4630 O HOH B 160 21.396 -19.202 9.299 1.00 34.06 O +HETATM 4631 O HOH B 161 3.400 -4.625 22.878 1.00 34.98 O +HETATM 4632 O HOH B 162 23.029 7.858 13.868 1.00 34.02 O +HETATM 4633 O HOH B 163 10.054 0.537 2.970 1.00 33.29 O +HETATM 4634 O HOH B 164 16.523 -14.815 19.144 1.00 32.12 O +HETATM 4635 O HOH B 165 -3.521 -7.996 18.788 1.00 35.56 O +HETATM 4636 O HOH B 166 9.429 -6.067 3.140 1.00 34.98 O +HETATM 4637 O HOH B 167 25.800 -14.208 -2.740 1.00 37.65 O +HETATM 4638 O HOH B 168 0.313 -14.430 5.859 1.00 34.45 O +HETATM 4639 O HOH B 169 25.879 -15.224 10.033 1.00 33.37 O +HETATM 4640 O HOH B 170 35.602 -4.153 -9.289 1.00 35.71 O +HETATM 4641 O HOH B 171 20.781 6.254 23.632 1.00 38.68 O +HETATM 4642 O HOH B 172 21.800 -18.543 12.994 1.00 40.56 O +HETATM 4643 O HOH B 173 7.807 -19.735 16.230 1.00 34.56 O +HETATM 4644 O HOH B 174 -2.047 -12.487 30.048 1.00 36.28 O +HETATM 4645 O HOH B 175 13.681 -7.349 23.790 1.00 31.60 O +HETATM 4646 O HOH B 176 24.831 -18.968 5.896 1.00 34.00 O +HETATM 4647 O HOH B 177 5.475 -5.297 23.977 1.00 36.71 O +HETATM 4648 O HOH B 178 15.904 -5.466 24.689 1.00 34.84 O +HETATM 4649 O HOH B 179 22.123 0.182 16.584 1.00 33.20 O +HETATM 4650 O HOH B 180 19.207 -15.705 -9.408 1.00 37.19 O +HETATM 4651 O HOH B 181 25.174 -12.029 -8.381 1.00 35.87 O +HETATM 4652 O HOH B 182 -10.362 -13.333 12.465 1.00 36.08 O +HETATM 4653 O HOH B 183 12.092 8.997 23.297 1.00 38.22 O +HETATM 4654 O HOH B 184 7.727 5.204 22.116 1.00 43.17 O +HETATM 4655 O HOH B 185 30.137 -14.006 10.129 1.00 36.03 O +HETATM 4656 O HOH B 186 13.730 -18.833 14.202 1.00 39.57 O +HETATM 4657 O HOH B 187 22.379 8.870 23.585 1.00 37.45 O +HETATM 4658 O HOH B 188 -4.205 -14.646 8.671 1.00 38.65 O +HETATM 4659 O HOH B 189 12.589 14.261 19.653 1.00 36.93 O +HETATM 4660 O HOH B 190 24.652 6.230 17.996 1.00 42.01 O +HETATM 4661 O HOH B 191 8.775 -23.438 16.055 1.00 42.33 O +HETATM 4662 O HOH B 192 -7.480 -10.898 17.998 1.00 38.06 O +HETATM 4663 O HOH B 193 11.388 -11.044 24.763 1.00 39.34 O +HETATM 4664 O HOH B 194 3.735 -3.643 2.734 1.00 42.17 O +HETATM 4665 O HOH B 195 3.149 -0.692 2.083 1.00 41.40 O +HETATM 4666 O HOH B 196 4.511 -25.886 13.006 1.00 39.83 O +HETATM 4667 O HOH B 197 8.712 -21.655 3.577 1.00 43.08 O +HETATM 4668 O HOH B 198 22.926 -4.304 24.079 1.00 38.10 O +HETATM 4669 O HOH B 199 11.435 9.654 20.618 1.00 40.23 O +HETATM 4670 O HOH B 200 18.099 5.542 27.744 1.00 39.03 O +HETATM 4671 O HOH B 201 12.174 9.951 9.804 1.00 44.34 O +HETATM 4672 O HOH B 202 24.745 -2.501 15.270 1.00 39.78 O +HETATM 4673 O HOH B 203 24.231 0.100 14.764 1.00 42.94 O +HETATM 4674 O HOH B 204 23.324 -18.136 10.981 1.00 53.60 O +HETATM 4675 O HOH B 205 25.576 -22.211 6.309 1.00 45.18 O +HETATM 4676 O HOH C 143 -2.661 -3.608 9.261 1.00 21.26 O +HETATM 4677 O HOH C 144 0.111 13.200 11.373 1.00 21.54 O +HETATM 4678 O HOH C 145 -16.704 12.691 -9.201 1.00 23.30 O +HETATM 4679 O HOH C 146 -13.774 2.466 -4.032 1.00 22.15 O +HETATM 4680 O HOH C 147 5.273 9.077 14.193 1.00 28.02 O +HETATM 4681 O HOH C 148 -11.466 3.494 -0.405 1.00 32.97 O +HETATM 4682 O HOH C 149 -10.454 4.898 14.327 1.00 33.04 O +HETATM 4683 O HOH C 150 -7.824 6.701 2.273 1.00 27.40 O +HETATM 4684 O HOH C 151 -1.248 -1.596 20.098 1.00 29.84 O +HETATM 4685 O HOH C 152 2.150 -0.244 14.446 1.00 30.74 O +HETATM 4686 O HOH C 153 -2.060 18.771 19.773 1.00 29.22 O +HETATM 4687 O HOH C 154 -21.154 14.002 13.362 1.00 32.40 O +HETATM 4688 O HOH C 155 -9.105 3.030 0.663 1.00 28.46 O +HETATM 4689 O HOH C 156 0.739 12.802 4.676 1.00 38.51 O +HETATM 4690 O HOH C 157 -8.549 18.107 15.436 1.00 35.20 O +HETATM 4691 O HOH C 158 -3.358 1.489 20.400 1.00 39.88 O +HETATM 4692 O HOH C 159 -2.351 -4.643 6.766 1.00 36.39 O +HETATM 4693 O HOH C 160 -9.995 6.820 0.255 1.00 29.81 O +HETATM 4694 O HOH C 161 -1.621 21.259 16.530 1.00 33.74 O +HETATM 4695 O HOH C 162 -5.469 23.850 15.062 1.00 31.03 O +HETATM 4696 O HOH C 163 3.572 1.751 6.044 1.00 29.72 O +HETATM 4697 O HOH C 164 -12.295 6.520 21.611 1.00 31.11 O +HETATM 4698 O HOH C 165 -14.251 13.845 17.234 1.00 30.77 O +HETATM 4699 O HOH C 166 -17.414 -5.952 27.962 1.00 34.94 O +HETATM 4700 O HOH C 167 -3.547 16.435 20.027 1.00 34.58 O +HETATM 4701 O HOH C 168 -16.355 -6.652 7.174 1.00 37.69 O +HETATM 4702 O HOH C 169 -7.541 12.855 -2.773 1.00 34.39 O +HETATM 4703 O HOH C 170 -4.225 9.070 1.455 1.00 35.72 O +HETATM 4704 O HOH C 171 -25.974 -1.828 7.173 1.00 32.50 O +HETATM 4705 O HOH C 172 -9.581 -6.364 21.942 1.00 37.91 O +HETATM 4706 O HOH C 173 -14.874 4.521 23.126 1.00 36.81 O +HETATM 4707 O HOH C 174 -15.534 20.875 -10.339 1.00 37.83 O +HETATM 4708 O HOH C 175 -8.242 21.385 2.969 1.00 35.70 O +HETATM 4709 O HOH C 176 -5.634 24.523 6.954 1.00 37.22 O +HETATM 4710 O HOH C 177 -22.981 14.501 -8.660 1.00 34.30 O +HETATM 4711 O HOH C 178 -13.871 16.688 -10.143 1.00 36.92 O +HETATM 4712 O HOH C 179 -20.275 19.235 8.097 1.00 34.30 O +HETATM 4713 O HOH C 180 1.720 15.273 3.670 1.00 39.46 O +HETATM 4714 O HOH C 181 -2.824 18.993 10.315 1.00 37.49 O +HETATM 4715 O HOH C 182 -2.160 0.091 22.111 1.00 39.39 O +HETATM 4716 O HOH C 183 7.922 12.037 14.216 1.00 34.40 O +HETATM 4717 O HOH C 184 -2.698 5.986 4.174 1.00 37.01 O +HETATM 4718 O HOH C 185 6.321 10.115 3.931 1.00 35.17 O +HETATM 4719 O HOH C 186 -7.096 21.140 15.539 1.00 35.39 O +HETATM 4720 O HOH C 187 -10.581 17.364 16.459 1.00 39.95 O +HETATM 4721 O HOH C 188 -4.668 13.050 -0.747 1.00 39.36 O +HETATM 4722 O HOH C 189 -4.764 -6.228 5.515 1.00 40.89 O +HETATM 4723 O HOH C 190 4.693 12.083 7.558 1.00 40.24 O +HETATM 4724 O HOH C 191 -4.731 16.453 2.295 1.00 36.37 O +HETATM 4725 O HOH C 192 -1.055 11.866 -0.448 1.00 43.19 O +HETATM 4726 O HOH C 193 -18.517 -8.355 15.267 1.00 35.55 O +HETATM 4727 O HOH C 194 6.547 9.706 16.296 1.00 41.86 O +HETATM 4728 O HOH C 195 0.029 22.606 14.164 1.00 43.02 O +HETATM 4729 O HOH C 196 -11.367 0.306 28.463 1.00 44.30 O +HETATM 4730 O HOH C 197 -19.950 -10.635 14.301 1.00 40.17 O +HETATM 4731 O HOH C 198 -7.047 -6.324 20.098 1.00 36.98 O +HETATM 4732 O HOH C 199 -23.876 1.108 14.102 1.00 33.31 O +HETATM 4733 O HOH C 200 -34.199 8.033 11.037 1.00 40.72 O +HETATM 4734 O HOH C 201 -14.173 13.393 -8.778 1.00 43.21 O +HETATM 4735 O HOH D 149 0.061 -2.494 -16.397 1.00 18.64 O +HETATM 4736 O HOH D 150 -8.041 -19.581 -16.153 1.00 26.28 O +HETATM 4737 O HOH D 151 2.825 -3.769 -9.602 1.00 23.08 O +HETATM 4738 O HOH D 152 -2.494 -0.118 -14.151 1.00 25.33 O +HETATM 4739 O HOH D 153 -9.792 -8.060 0.750 1.00 30.48 O +HETATM 4740 O HOH D 154 -6.518 -22.534 -15.665 1.00 34.60 O +HETATM 4741 O HOH D 155 -17.398 -13.549 8.357 1.00 35.82 O +HETATM 4742 O HOH D 156 5.350 -9.378 -15.018 1.00 27.68 O +HETATM 4743 O HOH D 157 -6.300 -24.347 -19.100 1.00 35.93 O +HETATM 4744 O HOH D 158 -9.520 7.447 -21.130 1.00 40.04 O +HETATM 4745 O HOH D 159 -16.425 -5.250 -24.764 1.00 32.57 O +HETATM 4746 O HOH D 160 -7.987 -14.493 1.146 1.00 34.30 O +HETATM 4747 O HOH D 161 -3.890 0.572 -11.856 1.00 34.78 O +HETATM 4748 O HOH D 162 -29.504 -0.198 -4.474 1.00 38.63 O +HETATM 4749 O HOH D 163 -25.631 -15.732 -9.906 1.00 33.22 O +HETATM 4750 O HOH D 164 -2.623 -18.453 -21.128 1.00 35.47 O +HETATM 4751 O HOH D 165 -2.780 -19.130 -10.800 1.00 30.23 O +HETATM 4752 O HOH D 166 -25.734 -4.456 7.605 1.00 34.33 O +HETATM 4753 O HOH D 167 -11.771 -10.816 5.496 1.00 38.68 O +HETATM 4754 O HOH D 168 -9.924 0.291 -2.970 1.00 38.71 O +HETATM 4755 O HOH D 169 -25.514 -14.066 2.449 1.00 36.60 O +HETATM 4756 O HOH D 170 -5.455 -17.392 -4.316 1.00 34.43 O +HETATM 4757 O HOH D 171 2.688 -11.418 -8.564 1.00 35.73 O +HETATM 4758 O HOH D 172 7.091 -10.993 -18.224 1.00 32.39 O +HETATM 4759 O HOH D 173 -9.377 -6.399 -3.029 1.00 35.44 O +HETATM 4760 O HOH D 174 -16.565 -17.782 -17.506 1.00 41.02 O +HETATM 4761 O HOH D 175 -8.141 -3.463 -24.390 1.00 37.14 O +HETATM 4762 O HOH D 176 -16.560 -15.177 -19.016 1.00 34.89 O +HETATM 4763 O HOH D 177 3.477 -8.048 -19.033 1.00 35.94 O +HETATM 4764 O HOH D 178 -24.698 -11.573 8.724 1.00 38.01 O +HETATM 4765 O HOH D 179 2.193 -4.435 -6.557 1.00 38.51 O +HETATM 4766 O HOH D 180 -29.898 -16.926 -2.135 1.00 36.37 O +HETATM 4767 O HOH D 181 -7.374 8.034 -17.831 1.00 34.05 O +HETATM 4768 O HOH D 182 -24.015 0.401 -15.301 1.00 39.14 O +HETATM 4769 O HOH D 183 -12.141 9.790 -10.238 1.00 38.30 O +HETATM 4770 O HOH D 184 -5.765 -3.569 -23.682 1.00 36.68 O +HETATM 4771 O HOH D 185 -4.860 -9.811 -2.967 1.00 37.10 O +HETATM 4772 O HOH D 186 -23.107 -4.490 -24.359 1.00 37.97 O +HETATM 4773 O HOH D 187 -10.377 -9.632 -7.043 1.00 38.85 O +HETATM 4774 O HOH D 188 -7.871 -9.078 2.406 1.00 43.37 O +HETATM 4775 O HOH D 189 -27.610 -10.991 5.353 1.00 43.46 O +HETATM 4776 O HOH D 190 -14.034 2.806 -30.367 1.00 41.77 O +HETATM 4777 O HOH D 191 -32.905 -9.033 0.480 1.00 43.68 O +HETATM 4778 O HOH D 192 -28.749 -13.315 1.938 1.00 45.36 O +HETATM 4779 O HOH D 193 0.516 -8.074 -26.354 1.00 41.53 O +HETATM 4780 O HOH D 194 -20.080 -9.873 -22.862 1.00 36.25 O +HETATM 4781 O HOH D 195 -13.442 9.778 -13.572 1.00 39.70 O +HETATM 4782 O HOH D 196 -24.804 -2.608 -15.488 1.00 37.79 O +HETATM 4783 O HOH D 197 -1.263 -2.837 -21.251 1.00 45.10 O +CONECT 650 4431 +CONECT 1771 4475 +CONECT 2844 4518 +CONECT 3965 4562 +CONECT 4389 4393 4420 +CONECT 4390 4396 4403 +CONECT 4391 4406 4410 +CONECT 4392 4413 4417 +CONECT 4393 4389 4394 4427 +CONECT 4394 4393 4395 4398 +CONECT 4395 4394 4396 4397 +CONECT 4396 4390 4395 4427 +CONECT 4397 4395 +CONECT 4398 4394 4399 +CONECT 4399 4398 4400 +CONECT 4400 4399 4401 4402 +CONECT 4401 4400 +CONECT 4402 4400 +CONECT 4403 4390 4404 4428 +CONECT 4404 4403 4405 4407 +CONECT 4405 4404 4406 4408 +CONECT 4406 4391 4405 4428 +CONECT 4407 4404 +CONECT 4408 4405 4409 +CONECT 4409 4408 +CONECT 4410 4391 4411 4429 +CONECT 4411 4410 4412 4414 +CONECT 4412 4411 4413 4415 +CONECT 4413 4392 4412 4429 +CONECT 4414 4411 +CONECT 4415 4412 4416 +CONECT 4416 4415 +CONECT 4417 4392 4418 4430 +CONECT 4418 4417 4419 4421 +CONECT 4419 4418 4420 4422 +CONECT 4420 4389 4419 4430 +CONECT 4421 4418 +CONECT 4422 4419 4423 +CONECT 4423 4422 4424 +CONECT 4424 4423 4425 4426 +CONECT 4425 4424 +CONECT 4426 4424 +CONECT 4427 4393 4396 4431 +CONECT 4428 4403 4406 4431 +CONECT 4429 4410 4413 4431 +CONECT 4430 4417 4420 4431 +CONECT 4431 650 4427 4428 4429 +CONECT 4431 4430 +CONECT 4433 4437 4464 +CONECT 4434 4440 4447 +CONECT 4435 4450 4454 +CONECT 4436 4457 4461 +CONECT 4437 4433 4438 4471 +CONECT 4438 4437 4439 4442 +CONECT 4439 4438 4440 4441 +CONECT 4440 4434 4439 4471 +CONECT 4441 4439 +CONECT 4442 4438 4443 +CONECT 4443 4442 4444 +CONECT 4444 4443 4445 4446 +CONECT 4445 4444 +CONECT 4446 4444 +CONECT 4447 4434 4448 4472 +CONECT 4448 4447 4449 4451 +CONECT 4449 4448 4450 4452 +CONECT 4450 4435 4449 4472 +CONECT 4451 4448 +CONECT 4452 4449 4453 +CONECT 4453 4452 +CONECT 4454 4435 4455 4473 +CONECT 4455 4454 4456 4458 +CONECT 4456 4455 4457 4459 +CONECT 4457 4436 4456 4473 +CONECT 4458 4455 +CONECT 4459 4456 4460 +CONECT 4460 4459 +CONECT 4461 4436 4462 4474 +CONECT 4462 4461 4463 4465 +CONECT 4463 4462 4464 4466 +CONECT 4464 4433 4463 4474 +CONECT 4465 4462 +CONECT 4466 4463 4467 +CONECT 4467 4466 4468 +CONECT 4468 4467 4469 4470 +CONECT 4469 4468 +CONECT 4470 4468 +CONECT 4471 4437 4440 4475 +CONECT 4472 4447 4450 4475 +CONECT 4473 4454 4457 4475 +CONECT 4474 4461 4464 4475 +CONECT 4475 1771 4471 4472 4473 +CONECT 4475 4474 +CONECT 4476 4480 4507 +CONECT 4477 4483 4490 +CONECT 4478 4493 4497 +CONECT 4479 4500 4504 +CONECT 4480 4476 4481 4514 +CONECT 4481 4480 4482 4485 +CONECT 4482 4481 4483 4484 +CONECT 4483 4477 4482 4514 +CONECT 4484 4482 +CONECT 4485 4481 4486 +CONECT 4486 4485 4487 +CONECT 4487 4486 4488 4489 +CONECT 4488 4487 +CONECT 4489 4487 +CONECT 4490 4477 4491 4515 +CONECT 4491 4490 4492 4494 +CONECT 4492 4491 4493 4495 +CONECT 4493 4478 4492 4515 +CONECT 4494 4491 +CONECT 4495 4492 4496 +CONECT 4496 4495 +CONECT 4497 4478 4498 4516 +CONECT 4498 4497 4499 4501 +CONECT 4499 4498 4500 4502 +CONECT 4500 4479 4499 4516 +CONECT 4501 4498 +CONECT 4502 4499 4503 +CONECT 4503 4502 +CONECT 4504 4479 4505 4517 +CONECT 4505 4504 4506 4508 +CONECT 4506 4505 4507 4509 +CONECT 4507 4476 4506 4517 +CONECT 4508 4505 +CONECT 4509 4506 4510 +CONECT 4510 4509 4511 +CONECT 4511 4510 4512 4513 +CONECT 4512 4511 +CONECT 4513 4511 +CONECT 4514 4480 4483 4518 +CONECT 4515 4490 4493 4518 +CONECT 4516 4497 4500 4518 +CONECT 4517 4504 4507 4518 +CONECT 4518 2844 4514 4515 4516 +CONECT 4518 4517 +CONECT 4520 4524 4551 +CONECT 4521 4527 4534 +CONECT 4522 4537 4541 +CONECT 4523 4544 4548 +CONECT 4524 4520 4525 4558 +CONECT 4525 4524 4526 4529 +CONECT 4526 4525 4527 4528 +CONECT 4527 4521 4526 4558 +CONECT 4528 4526 +CONECT 4529 4525 4530 +CONECT 4530 4529 4531 +CONECT 4531 4530 4532 4533 +CONECT 4532 4531 +CONECT 4533 4531 +CONECT 4534 4521 4535 4559 +CONECT 4535 4534 4536 4538 +CONECT 4536 4535 4537 4539 +CONECT 4537 4522 4536 4559 +CONECT 4538 4535 +CONECT 4539 4536 4540 +CONECT 4540 4539 +CONECT 4541 4522 4542 4560 +CONECT 4542 4541 4543 4545 +CONECT 4543 4542 4544 4546 +CONECT 4544 4523 4543 4560 +CONECT 4545 4542 +CONECT 4546 4543 4547 +CONECT 4547 4546 +CONECT 4548 4523 4549 4561 +CONECT 4549 4548 4550 4552 +CONECT 4550 4549 4551 4553 +CONECT 4551 4520 4550 4561 +CONECT 4552 4549 +CONECT 4553 4550 4554 +CONECT 4554 4553 4555 +CONECT 4555 4554 4556 4557 +CONECT 4556 4555 +CONECT 4557 4555 +CONECT 4558 4524 4527 4562 +CONECT 4559 4534 4537 4562 +CONECT 4560 4541 4544 4562 +CONECT 4561 4548 4551 4562 +CONECT 4562 3965 4558 4559 4560 +CONECT 4562 4561 +MASTER 711 0 6 32 0 0 16 9 4779 4 180 46 +END diff --git a/tests/protein_ligand/test_graphs.py b/tests/protein_ligand/test_graphs.py new file mode 100644 index 000000000..195e03141 --- /dev/null +++ b/tests/protein_ligand/test_graphs.py @@ -0,0 +1,39 @@ +"""Tests for graphein.protein_ligand.graphs""" + +from functools import partial +from pathlib import Path + +import networkx as nx +import pytest + +from graphein.protein_ligand.config import DSSPConfig, ProteinLigandGraphConfig +from graphein.protein_ligand.graphs import ( + construct_graph, + read_pdb_to_dataframe, +) + +DATA_PATH = Path(__file__).resolve().parent / "test_data" / "3v1w.pdb" + + +# Example-based Graph Construction test +def test_construct_graph(): + """Example-based test that graph construction works correctly. + + Uses 3v1w PDB file as an example test case. + """ + file_path = Path(__file__).parent / "test_data" / "3v1w.pdb" + G = construct_graph(pdb_path=str(file_path)) + print(G) + assert isinstance(G, nx.Graph) + assert len(G) == 574 + + # Check number of peptide bonds + peptide_bond_edges = [ + (u, v) + for u, v, d in G.edges(data=True) + if d["kind"] == {"peptide_bond"} + ] + assert len(peptide_bond_edges) == 570 + + +test_construct_graph()